#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zit s ALA 3 N 0.00 3.61 0.29 3.52 0.00 -1.26 -2.34 121.76 125.58 2zit s ALA 3 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.83 2zit s ALA 3 Cb 0.00 -2.50 -0.06 0.00 0.00 0.00 0.00 23.12 20.56 2zit s ALA 3 CO 0.00 0.31 -0.03 -0.06 0.00 0.00 0.00 175.76 175.99 2zit s PHE 4 N -0.52 1.92 0.47 0.00 0.40 0.63 -4.88 117.98 116.00 2zit s PHE 4 Ca 0.25 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 2zit s PHE 4 Cb -0.16 -1.14 0.01 0.00 0.51 0.00 0.00 43.02 42.23 2zit s PHE 4 CO 0.13 0.19 0.69 0.95 0.70 0.00 0.00 175.22 177.87 2zit s THR 5 N -3.11 3.68 0.06 0.64 -4.23 -1.26 -1.91 115.64 109.51 2zit s THR 5 Ca 0.31 -0.56 0.30 0.00 -1.18 0.00 0.00 61.69 60.56 2zit s THR 5 Cb 0.05 -3.36 0.31 0.00 1.34 0.00 0.00 72.50 70.84 2zit s THR 5 CO 0.12 -0.25 1.92 0.58 -0.54 0.00 0.00 174.62 176.45 2zit h VAL 6 N 0.34 0.00 0.07 2.29 2.07 -1.95 -2.14 116.25 116.94 2zit h VAL 6 Ca -0.45 -0.07 -0.19 0.00 0.82 0.00 0.00 66.70 66.81 2zit h VAL 6 Cb 1.26 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2zit h VAL 6 CO 0.56 0.00 -0.98 0.44 0.02 0.00 0.00 177.57 177.61 2zit h ASP 7 N 0.00 0.24 -0.81 0.57 3.32 -1.98 -2.43 116.42 115.33 2zit h ASP 7 Ca 0.00 -0.84 0.07 0.00 0.02 0.00 0.00 57.03 56.28 2zit h ASP 7 Cb 0.09 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 2zit h ASP 7 CO 0.00 1.42 0.49 1.56 -1.72 0.00 0.00 179.24 180.99 2zit h GLN 8 N -0.60 0.85 -0.27 3.56 4.20 -1.79 0.26 115.11 121.33 2zit h GLN 8 Ca -0.22 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.38 2zit h GLN 8 Cb 1.49 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 2zit h GLN 8 CO 0.01 0.56 -0.08 0.52 -0.67 0.00 0.00 178.83 179.18 2zit h MET 9 N 0.88 0.52 0.41 1.46 2.86 -1.55 -2.65 114.93 116.87 2zit h MET 9 Ca 0.36 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2zit h MET 9 Cb 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2zit h MET 9 CO -0.19 0.74 -0.34 -0.09 1.06 0.00 0.00 176.91 178.09 2zit h ARG 10 N 0.27 -0.73 -0.39 1.72 9.65 -0.78 0.13 114.38 124.25 2zit h ARG 10 Ca 0.07 0.05 0.10 0.00 -1.10 0.00 0.00 59.98 59.10 2zit h ARG 10 Cb 0.56 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 2zit h ARG 10 CO 0.03 -0.49 0.28 0.66 2.80 0.00 0.00 179.97 183.25 2zit h SER 11 N -0.76 0.06 0.02 -3.80 4.64 -0.60 -1.04 113.55 112.06 2zit h SER 11 Ca -0.04 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.07 2zit h SER 11 Cb 0.66 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2zit h SER 11 CO -0.02 0.03 -0.80 0.25 -0.87 0.00 0.00 176.83 175.42 2zit h LEU 12 N 0.06 0.78 -2.07 5.97 5.85 -0.93 -3.13 115.31 121.84 2zit h LEU 12 Ca 0.18 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2zit h LEU 12 Cb 0.65 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2zit h LEU 12 CO -0.01 1.31 -0.05 0.24 -0.34 0.00 0.00 178.44 179.59 2zit h MET 13 N 0.43 0.00 -0.32 1.25 2.86 0.58 -1.61 114.93 118.12 2zit h MET 13 Ca -0.06 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 2zit h MET 13 Cb 1.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.07 2zit h MET 13 CO 0.16 0.05 -0.29 -0.44 1.06 0.00 0.00 176.91 177.45 2zit h ASP 14 N 0.00 0.69 -0.20 1.22 3.32 -1.44 -3.32 116.42 116.69 2zit h ASP 14 Ca -0.00 -0.27 -0.62 0.00 0.02 0.00 0.00 57.03 56.16 2zit h ASP 14 Cb 0.30 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2zit h ASP 14 CO 0.01 0.95 2.33 0.29 -1.72 0.00 0.00 179.24 181.09 2zit n LYS 15 N -4.08 2.17 0.17 3.56 4.01 -0.61 -4.70 118.16 118.67 2zit n LYS 15 Ca -0.01 -2.38 0.04 0.00 -0.51 0.00 0.00 58.31 55.45 2zit n LYS 15 Cb 0.46 -3.25 0.47 0.00 -0.51 0.00 0.00 35.03 32.20 2zit n LYS 15 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2zit h VAL 16 N 4.78 1.13 0.00 -0.18 2.07 -1.79 -0.95 116.25 121.31 2zit h VAL 16 Ca 0.44 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2zit h VAL 16 Cb 0.73 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2zit h VAL 16 CO 1.75 0.18 0.00 0.35 0.02 0.00 0.00 177.57 179.86 2zit n THR 17 N -4.34 1.29 -1.05 2.57 -2.24 -1.26 -1.68 114.28 107.56 2zit n THR 17 Ca -0.01 0.33 0.08 0.00 -2.27 0.00 0.00 64.05 62.17 2zit n THR 17 Cb 0.22 -1.15 0.22 0.00 -2.10 0.00 0.00 70.33 67.52 2zit n THR 17 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2zit n ASN 18 N -1.51 3.32 -4.81 3.42 4.13 -0.36 -4.52 115.26 114.93 2zit n ASN 18 Ca 0.02 -3.10 -0.36 0.00 1.68 0.00 0.00 54.58 52.82 2zit n ASN 18 Cb 0.12 -0.52 -0.07 0.00 -1.54 0.00 0.00 39.78 37.77 2zit n ASN 18 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2zit s VAL 19 N -2.88 5.10 -0.39 2.41 1.01 -0.68 -0.33 120.40 124.65 2zit s VAL 19 Ca 0.39 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.45 2zit s VAL 19 Cb 0.33 -3.20 0.11 0.00 0.00 0.00 0.00 36.38 33.62 2zit s VAL 19 CO 0.06 0.61 0.15 -0.13 0.00 0.00 0.00 175.10 175.79 2zit s ARG 20 N -0.92 1.31 -0.12 2.72 1.81 0.20 -4.08 118.95 119.88 2zit s ARG 20 Ca 0.14 -1.82 -0.21 0.00 -1.72 0.00 0.00 55.73 52.11 2zit s ARG 20 Cb -0.12 -2.68 -0.03 0.00 -0.45 0.00 0.00 34.95 31.67 2zit s ARG 20 CO 0.03 -1.04 0.63 -0.80 -0.68 0.00 0.00 175.30 173.45 2zit s ASN 21 N 0.75 6.83 0.14 0.23 0.01 -1.26 0.07 114.94 121.72 2zit s ASN 21 Ca 0.13 1.00 -0.25 0.00 -0.71 0.00 0.00 52.86 53.03 2zit s ASN 21 Cb -0.21 -2.36 0.06 0.00 0.41 0.00 0.00 41.25 39.15 2zit s ASN 21 CO -0.09 -0.14 0.83 0.00 -1.51 0.00 0.00 177.10 176.19 2zit s MET 22 N 1.10 1.25 0.40 -0.60 0.23 -0.78 -2.30 119.30 118.60 2zit s MET 22 Ca 0.32 -0.61 0.04 0.00 -1.03 0.00 0.00 55.69 54.41 2zit s MET 22 Cb -0.16 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 2zit s MET 22 CO 0.14 -0.56 0.16 0.45 -2.03 0.00 0.00 175.02 173.18 2zit n SER 23 N -0.40 1.03 -4.11 -1.18 2.88 -0.80 -1.34 113.62 109.70 2zit n SER 23 Ca -0.08 -3.19 -0.33 0.00 -1.33 0.00 0.00 58.87 53.94 2zit n SER 23 Cb 0.61 1.11 -0.14 0.00 -0.75 0.00 0.00 64.21 65.04 2zit n SER 23 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2zit s VAL 24 N -3.12 2.58 -0.55 2.46 1.01 -1.26 -0.68 120.40 120.85 2zit s VAL 24 Ca 0.23 -1.64 -0.23 0.00 0.00 0.00 0.00 61.98 60.34 2zit s VAL 24 Cb 0.01 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.87 2zit s VAL 24 CO 0.16 -0.17 0.86 -0.63 0.00 0.00 0.00 175.10 175.32 2zit s ILE 25 N 1.14 4.51 -0.21 2.22 1.01 0.19 -4.81 121.20 125.26 2zit s ILE 25 Ca -0.04 0.04 -0.28 0.00 0.00 0.00 0.00 60.65 60.36 2zit s ILE 25 Cb -0.20 -4.48 0.13 0.00 0.01 0.00 0.00 42.46 37.92 2zit s ILE 25 CO -0.04 -1.05 1.04 0.00 0.00 0.00 0.00 174.94 174.89 2zit s ALA 26 N 3.61 -1.97 0.36 9.38 0.00 -1.26 -1.38 121.76 130.50 2zit s ALA 26 Ca 0.26 1.69 -0.27 0.00 0.00 0.00 0.00 51.96 53.64 2zit s ALA 26 Cb -0.15 -1.00 -0.09 0.00 0.00 0.00 0.00 23.12 21.88 2zit s ALA 26 CO 0.17 -0.28 1.19 -1.58 0.00 0.00 0.00 175.76 175.26 2zit s HIS 27 N -0.68 3.16 0.66 0.00 2.46 -1.26 -4.90 115.29 114.72 2zit s HIS 27 Ca 0.01 1.55 0.39 0.00 0.47 0.00 0.00 55.06 57.48 2zit s HIS 27 Cb -0.02 -3.44 2.15 0.00 -0.13 0.00 0.00 32.58 31.14 2zit s HIS 27 CO -0.02 -1.29 2.24 -0.39 -2.47 0.00 0.00 174.74 172.81 2zit h VAL 28 N 2.64 0.07 -0.63 0.89 -1.51 -1.95 -0.41 116.25 115.36 2zit h VAL 28 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2zit h VAL 28 Cb 1.23 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2zit h VAL 28 CO 0.64 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.45 2zit n ASP 29 N -3.14 4.33 -1.15 4.19 8.00 -1.26 -4.06 116.55 123.47 2zit n ASP 29 Ca -0.02 -2.34 0.01 0.00 0.71 0.00 0.00 54.79 53.15 2zit n ASP 29 Cb 0.17 -0.54 0.24 0.00 -0.02 0.00 0.00 41.12 40.96 2zit n ASP 29 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2zit n HIS 30 N 1.14 1.23 -2.26 1.24 8.25 -0.16 -4.93 115.22 119.73 2zit n HIS 30 Ca 0.24 -1.22 -0.10 0.00 -0.26 0.00 0.00 57.72 56.38 2zit n HIS 30 Cb 0.79 -0.44 -0.00 0.00 1.12 0.00 0.00 29.99 31.46 2zit n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2zit n GLY 31 N -0.74 -0.03 0.06 -1.41 0.00 -1.26 -4.76 105.19 97.05 2zit n GLY 31 Ca 0.29 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2zit n GLY 31 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2zit h LYS 32 N -0.10 0.09 -0.12 1.61 3.64 -1.75 -0.33 116.57 119.61 2zit h LYS 32 Ca -0.25 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 2zit h LYS 32 Cb 1.18 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 2zit h LYS 32 CO 0.29 0.06 -0.61 0.66 -2.27 0.00 0.00 179.45 177.58 2zit h SER 33 N 0.09 0.47 0.80 4.20 4.64 -1.90 -2.46 113.55 119.39 2zit h SER 33 Ca 0.02 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 61.00 2zit h SER 33 Cb -0.01 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2zit h SER 33 CO -0.01 0.96 -0.38 0.74 -0.87 0.00 0.00 176.83 177.28 2zit h THR 34 N 0.31 0.92 0.15 2.95 2.02 -1.90 -1.84 112.91 115.51 2zit h THR 34 Ca -0.01 -1.52 -0.30 0.00 0.77 0.00 0.00 66.41 65.35 2zit h THR 34 Cb 1.14 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 2zit h THR 34 CO 0.10 0.37 -1.45 -0.07 0.37 0.00 0.00 175.52 174.84 2zit h LEU 35 N 0.00 0.49 -0.49 2.58 3.38 -0.99 -3.26 115.31 117.01 2zit h LEU 35 Ca -0.00 -0.60 -0.10 0.00 0.09 0.00 0.00 57.88 57.26 2zit h LEU 35 Cb 0.89 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2zit h LEU 35 CO 0.05 1.49 -0.09 0.71 0.09 0.00 0.00 178.44 180.69 2zit h THR 36 N 0.09 1.27 -0.00 0.22 1.35 -1.34 -2.37 112.91 112.12 2zit h THR 36 Ca -0.22 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2zit h THR 36 Cb 2.03 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 69.50 2zit h THR 36 CO 0.19 0.42 0.00 0.44 -0.25 0.00 0.00 175.52 176.33 2zit h ASP 37 N 0.78 0.00 0.21 5.36 3.32 -1.45 -2.44 116.42 122.20 2zit h ASP 37 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2zit h ASP 37 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2zit h ASP 37 CO 0.04 0.00 -0.10 -1.28 -1.72 0.00 0.00 179.24 176.18 2zit h SER 38 N 0.00 -0.24 0.50 6.45 0.87 -1.47 -1.55 113.55 118.11 2zit h SER 38 Ca 0.00 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2zit h SER 38 Cb 0.00 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2zit h SER 38 CO -0.00 0.20 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.37 2zit h LEU 39 N -0.75 0.00 0.15 2.23 4.07 -1.47 -2.62 115.31 116.92 2zit h LEU 39 Ca -0.03 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.62 2zit h LEU 39 Cb 0.50 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.27 2zit h LEU 39 CO 0.05 0.06 -1.30 0.58 -1.08 0.00 0.00 178.44 176.75 2zit h VAL 40 N 0.00 1.29 -0.08 1.22 2.07 -1.38 0.11 116.25 119.47 2zit h VAL 40 Ca -0.00 -2.52 -0.02 0.00 0.82 0.00 0.00 66.70 64.98 2zit h VAL 40 Cb 0.33 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2zit h VAL 40 CO 0.01 0.77 0.02 0.00 0.02 0.00 0.00 177.57 178.38 2zit n GLN 41 N -3.77 1.41 0.14 1.57 6.02 -0.59 -1.65 117.38 120.51 2zit n GLN 41 Ca -0.14 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 2zit n GLN 41 Cb 1.01 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.79 2zit n GLN 41 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2zit n ARG 42 N 0.13 0.00 -0.32 -1.09 3.00 -1.15 -4.88 116.66 112.35 2zit n ARG 42 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 58.01 2zit n ARG 42 Cb 0.44 -0.03 0.29 0.00 0.00 0.00 0.00 32.46 33.15 2zit n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2zit n ALA 43 N -3.49 2.36 -1.63 5.13 0.00 0.39 -4.90 120.51 118.38 2zit n ALA 43 Ca 0.00 -1.23 -0.51 0.00 0.00 0.00 0.00 53.44 51.70 2zit n ALA 43 Cb 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 2zit n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zit n GLY 44 N 1.50 0.74 3.33 0.00 0.00 -0.66 -1.18 105.19 108.91 2zit n GLY 44 Ca 0.22 0.71 -0.38 0.00 0.00 0.00 0.00 46.02 46.58 2zit n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2zit s ILE 45 N 1.02 3.96 0.35 -0.61 -1.09 -0.59 -3.80 121.20 120.44 2zit s ILE 45 Ca 0.84 -0.82 0.07 0.00 -2.23 0.00 0.00 60.65 58.51 2zit s ILE 45 Cb -0.87 -3.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 2zit s ILE 45 CO 0.46 -0.01 0.39 -0.63 -1.23 0.00 0.00 174.94 173.91 2zit s ILE 46 N 1.48 3.65 0.43 2.92 1.09 -0.99 -4.77 121.20 125.00 2zit s ILE 46 Ca 0.01 -1.20 0.08 0.00 -1.10 0.00 0.00 60.65 58.45 2zit s ILE 46 Cb -0.18 -3.25 0.00 0.00 -1.06 0.00 0.00 42.46 37.98 2zit s ILE 46 CO 0.03 -0.14 0.51 -0.94 -0.10 0.00 0.00 174.94 174.30 2zit s SER 47 N -4.10 5.43 -0.55 3.58 1.04 -1.26 -0.27 113.70 117.57 2zit s SER 47 Ca 0.44 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 56.36 2zit s SER 47 Cb -0.07 -0.58 0.36 0.00 0.10 0.00 0.00 66.02 65.83 2zit s SER 47 CO 0.29 -0.75 1.03 0.00 0.98 0.00 0.00 173.24 174.78 2zit n ALA 48 N -1.77 4.85 0.00 5.32 0.00 -0.80 -4.64 120.51 123.47 2zit n ALA 48 Ca 0.07 -4.59 0.00 0.00 0.00 0.00 0.00 53.44 48.92 2zit n ALA 48 Cb 0.60 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2zit n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zit n GLY 67 N -0.32 3.29 2.99 0.00 0.00 -1.26 -4.96 105.19 104.93 2zit n GLY 67 Ca 0.34 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2zit n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2zit s ILE 68 N 0.00 0.93 -0.10 -0.61 -1.09 -1.26 -4.95 121.20 114.12 2zit s ILE 68 Ca 0.00 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 2zit s ILE 68 Cb 0.00 -0.87 -0.03 0.00 -1.58 0.00 0.00 42.46 39.99 2zit s ILE 68 CO 0.00 0.31 -0.05 0.28 -1.23 0.00 0.00 174.94 174.24 2zit s THR 69 N 0.62 3.79 0.48 2.92 -1.32 -1.26 -3.93 115.64 116.94 2zit s THR 69 Ca -0.12 -0.43 0.03 0.00 -1.21 0.00 0.00 61.69 59.97 2zit s THR 69 Cb -0.14 -2.59 -0.03 0.00 -1.51 0.00 0.00 72.50 68.22 2zit s THR 69 CO 0.02 0.56 0.00 0.27 -2.21 0.00 0.00 174.62 173.27 2zit s ILE 70 N -0.36 1.40 -0.19 5.08 -4.36 0.46 -0.62 121.20 122.61 2zit s ILE 70 Ca 0.06 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.22 2zit s ILE 70 Cb -0.12 -2.40 -0.02 0.00 1.25 0.00 0.00 42.46 41.17 2zit s ILE 70 CO 0.02 0.00 0.72 -0.75 0.24 0.00 0.00 174.94 175.17 2zit s LYS 71 N -3.83 4.24 -0.21 0.37 2.36 -1.16 -4.56 119.74 116.96 2zit s LYS 71 Ca 0.14 0.78 -0.38 0.00 -2.55 0.00 0.00 55.97 53.96 2zit s LYS 71 Cb 0.04 -3.58 -0.15 0.00 -1.05 0.00 0.00 37.83 33.09 2zit s LYS 71 CO 0.07 -0.29 1.75 0.43 1.55 0.00 0.00 175.35 178.86 2zit n SER 72 N 5.18 2.59 0.00 1.43 7.64 -1.22 -4.82 113.62 124.43 2zit n SER 72 Ca 0.01 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2zit n SER 72 Cb 0.49 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2zit n SER 72 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2zit n THR 73 N 4.56 0.00 -3.74 0.44 -1.04 -1.25 -4.95 114.28 108.30 2zit n THR 73 Ca 0.25 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.13 2zit n THR 73 Cb 0.17 -0.66 -0.09 0.00 -1.82 0.00 0.00 70.33 67.93 2zit n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2zit s ALA 74 N -1.66 -0.94 -0.00 2.41 0.00 -1.26 0.10 121.76 120.41 2zit s ALA 74 Ca 0.00 0.83 0.08 0.00 0.00 0.00 0.00 51.96 52.87 2zit s ALA 74 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2zit s ALA 74 CO 0.00 -0.22 -0.26 0.42 0.00 0.00 0.00 175.76 175.70 2zit s ILE 75 N -0.42 2.06 -0.19 0.00 -1.09 -0.99 -1.83 121.20 118.74 2zit s ILE 75 Ca -0.05 -1.18 -0.16 0.00 -2.23 0.00 0.00 60.65 57.02 2zit s ILE 75 Cb -0.03 -1.72 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 2zit s ILE 75 CO 0.02 0.51 0.41 -0.44 -1.23 0.00 0.00 174.94 174.22 2zit s SER 76 N -0.78 6.47 -0.02 3.58 0.01 -1.26 -1.23 113.70 120.46 2zit s SER 76 Ca 0.10 0.56 0.08 0.00 1.31 0.00 0.00 55.95 58.00 2zit s SER 76 Cb -0.10 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 2zit s SER 76 CO -0.00 -0.07 -0.25 -0.76 0.41 0.00 0.00 173.24 172.57 2zit s LEU 77 N 1.21 2.11 -0.12 2.44 1.02 -0.20 -1.55 118.68 123.59 2zit s LEU 77 Ca 0.20 -0.45 0.03 0.00 0.02 0.00 0.00 54.13 53.93 2zit s LEU 77 Cb -0.15 -1.36 0.01 0.00 0.02 0.00 0.00 46.19 44.71 2zit s LEU 77 CO 0.08 0.32 -0.22 -0.47 0.02 0.00 0.00 176.35 176.08 2zit s TYR 78 N -0.62 2.61 -0.00 0.29 5.04 -0.33 -0.98 117.35 123.36 2zit s TYR 78 Ca 0.10 -1.23 0.01 0.00 -2.44 0.00 0.00 57.07 53.51 2zit s TYR 78 Cb -0.10 -1.76 0.00 0.00 0.35 0.00 0.00 41.96 40.45 2zit s TYR 78 CO -0.01 -0.54 -0.02 0.45 -1.34 0.00 0.00 175.55 174.09 2zit s SER 79 N 0.65 0.25 -0.10 4.32 0.15 -1.12 -4.59 113.70 113.26 2zit s SER 79 Ca -0.11 -0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.54 2zit s SER 79 Cb -0.16 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2zit s SER 79 CO 0.02 0.02 -0.23 -0.70 1.20 0.00 0.00 173.24 173.55 2zit s GLU 80 N 0.03 2.90 0.00 5.44 2.12 -1.26 -1.25 118.70 126.68 2zit s GLU 80 Ca 0.00 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.50 2zit s GLU 80 Cb -0.02 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.16 2zit s GLU 80 CO -0.00 0.15 0.00 -1.33 -0.54 0.00 0.00 175.26 173.53 2zit n MET 81 N 3.60 2.05 -4.44 4.30 2.81 -0.71 -5.04 117.12 119.69 2zit n MET 81 Ca -0.19 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.43 2zit n MET 81 Cb 0.53 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.94 2zit n MET 81 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2zit s SER 82 N -0.84 4.04 0.57 7.83 1.04 -1.26 -4.88 113.70 120.20 2zit s SER 82 Ca 0.00 -1.21 0.38 0.00 0.48 0.00 0.00 55.95 55.60 2zit s SER 82 Cb 0.00 -0.43 2.08 0.00 0.10 0.00 0.00 66.02 67.77 2zit s SER 82 CO 0.00 -0.40 2.18 0.44 0.98 0.00 0.00 173.24 176.43 2zit h ASP 83 N 1.73 0.00 0.26 7.02 5.19 -1.98 0.67 116.42 129.30 2zit h ASP 83 Ca -0.43 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.64 2zit h ASP 83 Cb 1.25 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 2zit h ASP 83 CO 0.74 0.00 -1.91 -0.62 -3.12 0.00 0.00 179.24 174.34 2zit n GLU 84 N -2.85 0.71 0.16 3.56 -0.58 -1.26 -3.67 120.64 116.71 2zit n GLU 84 Ca -0.03 0.27 0.01 0.00 -0.42 0.00 0.00 57.16 56.99 2zit n GLU 84 Cb 0.06 -1.73 0.26 0.00 -0.57 0.00 0.00 31.44 29.46 2zit n GLU 84 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2zit h ASP 85 N 0.04 0.00 1.16 1.62 3.32 -1.56 -2.23 116.42 118.77 2zit h ASP 85 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2zit h ASP 85 Cb 2.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.58 2zit h ASP 85 CO 0.08 0.51 0.00 0.58 -1.72 0.00 0.00 179.24 178.69 2zit h VAL 86 N 0.00 0.00 0.00 -1.35 2.07 -1.07 -2.89 116.25 113.01 2zit h VAL 86 Ca -0.01 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2zit h VAL 86 Cb 0.92 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2zit h VAL 86 CO 0.07 0.00 -1.02 0.29 0.02 0.00 0.00 177.57 176.93 2zit n LYS 87 N -2.40 0.42 0.01 1.57 4.76 -0.87 -4.28 118.16 117.37 2zit n LYS 87 Ca 0.04 0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.33 2zit n LYS 87 Cb 0.34 -1.68 -0.11 0.00 -1.84 0.00 0.00 35.03 31.75 2zit n LYS 87 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2zit h GLU 88 N 0.00 0.48 -6.15 1.97 5.08 -1.26 -3.44 114.58 111.26 2zit h GLU 88 Ca 0.00 -0.51 -0.57 0.00 -1.00 0.00 0.00 59.36 57.29 2zit h GLU 88 Cb 0.84 0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.24 2zit h GLU 88 CO 0.00 1.15 1.38 -0.89 -1.00 0.00 0.00 179.01 179.65 2zit n ILE 89 N -4.14 0.53 0.23 3.13 5.41 -1.24 -4.81 119.36 118.47 2zit n ILE 89 Ca -0.10 -0.32 0.18 0.00 1.00 0.00 0.00 62.75 63.51 2zit n ILE 89 Cb 0.71 -2.45 0.84 0.00 -0.71 0.00 0.00 39.64 38.03 2zit n ILE 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2zit h LYS 90 N 13.08 0.00 -7.17 0.38 1.63 -1.86 -3.42 116.57 119.20 2zit h LYS 90 Ca -0.45 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 58.85 2zit h LYS 90 Cb 1.24 0.00 0.09 0.00 -0.60 0.00 0.00 32.23 32.96 2zit h LYS 90 CO 0.95 0.00 0.39 -1.14 -3.45 0.00 0.00 179.45 176.20 2zit s GLN 91 N -4.41 2.96 -0.31 1.90 0.74 -1.26 -4.98 119.66 114.29 2zit s GLN 91 Ca -0.04 1.43 -0.28 0.00 0.05 0.00 0.00 55.36 56.52 2zit s GLN 91 Cb 0.13 -1.97 0.01 0.00 1.10 0.00 0.00 33.01 32.29 2zit s GLN 91 CO 0.45 -1.13 1.02 0.21 -0.55 0.00 0.00 175.29 175.29 2zit s LYS 92 N -3.91 4.05 0.36 1.67 2.20 -1.26 -5.02 119.74 117.83 2zit s LYS 92 Ca 0.68 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 2zit s LYS 92 Cb -0.21 -3.73 -0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2zit s LYS 92 CO 0.38 -0.85 0.01 0.25 -0.36 0.00 0.00 175.35 174.78 2zit n THR 93 N 5.79 0.00 -3.15 3.43 -2.24 -1.26 -4.80 114.28 112.04 2zit n THR 93 Ca 0.10 -1.74 0.04 0.00 -2.27 0.00 0.00 64.05 60.18 2zit n THR 93 Cb 0.47 0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2zit n THR 93 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2zit s ASP 94 N -3.00 -1.52 0.00 3.42 2.15 -1.26 -5.02 116.67 111.44 2zit s ASP 94 Ca 0.02 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.01 2zit s ASP 94 Cb 0.00 1.95 0.00 0.00 -0.30 0.00 0.00 42.92 44.57 2zit s ASP 94 CO 0.01 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 2zit n GLY 95 N 5.21 -0.65 0.00 2.66 0.00 -1.26 -4.71 105.19 106.44 2zit n GLY 95 Ca 0.06 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2zit n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2zit n ASN 96 N 0.00 0.23 -4.70 1.61 3.02 -1.26 -4.90 115.26 109.25 2zit n ASN 96 Ca 0.00 -0.44 -0.37 0.00 -0.03 0.00 0.00 54.58 53.73 2zit n ASN 96 Cb 0.00 0.93 -0.07 0.00 -0.61 0.00 0.00 39.78 40.03 2zit n ASN 96 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2zit s SER 97 N -0.97 6.51 -0.17 6.41 0.01 -1.26 -1.74 113.70 122.49 2zit s SER 97 Ca 0.00 0.60 0.01 0.00 1.31 0.00 0.00 55.95 57.87 2zit s SER 97 Cb 0.00 -2.23 0.02 0.00 0.21 0.00 0.00 66.02 64.02 2zit s SER 97 CO 0.00 0.00 -0.19 -0.36 0.41 0.00 0.00 173.24 173.10 2zit s PHE 98 N 0.84 2.61 0.33 2.43 0.08 -0.38 -4.79 117.98 119.10 2zit s PHE 98 Ca 0.20 -1.51 -0.27 0.00 0.12 0.00 0.00 56.93 55.48 2zit s PHE 98 Cb -0.14 -1.83 -0.09 0.00 -0.57 0.00 0.00 43.02 40.39 2zit s PHE 98 CO 0.07 -0.76 1.00 -1.17 -0.10 0.00 0.00 175.22 174.27 2zit s LEU 99 N 1.29 4.36 -0.25 -0.37 2.96 0.55 -2.79 118.68 124.44 2zit s LEU 99 Ca 0.04 1.99 -0.02 0.00 -0.22 0.00 0.00 54.13 55.92 2zit s LEU 99 Cb -0.13 -3.94 0.08 0.00 0.50 0.00 0.00 46.19 42.70 2zit s LEU 99 CO -0.11 -0.18 0.07 -0.63 -1.32 0.00 0.00 176.35 174.18 2zit s ILE 100 N -1.49 0.63 -0.25 6.68 1.01 -0.15 0.62 121.20 128.26 2zit s ILE 100 Ca 0.50 -0.95 -0.23 0.00 0.00 0.00 0.00 60.65 59.97 2zit s ILE 100 Cb -0.23 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 2zit s ILE 100 CO 0.29 -0.46 0.78 0.20 0.00 0.00 0.00 174.94 175.75 2zit s ASN 101 N 1.77 6.76 -0.83 3.58 0.02 0.11 -1.03 114.94 125.32 2zit s ASN 101 Ca 0.04 0.93 -0.10 0.00 -1.02 0.00 0.00 52.86 52.71 2zit s ASN 101 Cb -0.17 -2.41 0.22 0.00 0.02 0.00 0.00 41.25 38.91 2zit s ASN 101 CO -0.18 -0.49 0.75 -0.22 0.02 0.00 0.00 177.10 176.98 2zit s LEU 102 N 2.77 6.34 -0.17 0.60 2.96 -0.37 -1.86 118.68 128.94 2zit s LEU 102 Ca 0.32 -2.91 -0.29 0.00 -0.22 0.00 0.00 54.13 51.03 2zit s LEU 102 Cb -0.15 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 2zit s LEU 102 CO 0.08 -0.47 1.42 -0.63 -1.32 0.00 0.00 176.35 175.43 2zit s ILE 103 N -0.17 4.00 0.50 6.68 1.09 -0.45 -2.33 121.20 130.52 2zit s ILE 103 Ca 0.20 1.19 -0.24 0.00 -1.10 0.00 0.00 60.65 60.70 2zit s ILE 103 Cb -0.12 -3.85 -0.07 0.00 -1.06 0.00 0.00 42.46 37.36 2zit s ILE 103 CO -0.08 -0.20 1.40 -0.62 -0.10 0.00 0.00 174.94 175.34 2zit s ASP 104 N 2.79 5.58 0.08 3.58 2.15 0.12 -4.27 116.67 126.69 2zit s ASP 104 Ca 0.62 2.86 0.10 0.00 0.43 0.00 0.00 52.55 56.55 2zit s ASP 104 Cb -0.24 -2.65 -0.03 0.00 -0.30 0.00 0.00 42.92 39.70 2zit s ASP 104 CO 0.22 -1.37 -0.25 -0.44 -0.17 0.00 0.00 175.17 173.15 2zit s SER 105 N -0.71 3.31 0.97 -0.34 0.01 -1.26 -4.89 113.70 110.79 2zit s SER 105 Ca 0.66 -0.62 -0.11 0.00 1.31 0.00 0.00 55.95 57.19 2zit s SER 105 Cb -0.42 -0.31 0.17 0.00 0.21 0.00 0.00 66.02 65.67 2zit s SER 105 CO 0.53 0.23 1.11 -2.84 0.41 0.00 0.00 173.24 172.68 2zit s PRO 106 N -1.56 0.62 -0.10 12.44 0.02 -1.26 -5.00 135.00 140.15 2zit s PRO 106 Ca 0.13 1.33 -0.06 0.00 0.02 0.00 0.00 61.00 62.42 2zit s PRO 106 Cb -0.10 -1.70 -0.05 0.00 0.02 0.00 0.00 34.50 32.67 2zit s PRO 106 CO 0.04 -2.83 0.18 0.78 -0.33 0.00 0.00 177.00 174.84 2zit h GLY 107 N -2.00 -0.03 -3.11 0.52 0.00 -2.00 -3.46 103.07 92.99 2zit h GLY 107 Ca -0.48 0.01 -0.50 0.00 0.00 0.00 0.00 47.33 46.36 2zit h GLY 107 CO 0.45 -0.01 0.10 0.30 0.00 0.00 0.00 176.54 177.38 2zit s HIS 108 N -1.78 3.45 -0.89 5.60 3.76 -1.26 -4.55 115.29 119.63 2zit s HIS 108 Ca -0.04 1.27 0.27 0.00 -0.15 0.00 0.00 55.06 56.41 2zit s HIS 108 Cb -0.01 -2.56 1.06 0.00 1.11 0.00 0.00 32.58 32.18 2zit s HIS 108 CO 0.15 0.16 1.85 0.28 -0.85 0.00 0.00 174.74 176.33 2zit n VAL 109 N -0.04 0.27 0.30 -0.90 0.31 -1.26 -3.10 118.33 113.91 2zit n VAL 109 Ca 0.02 -0.08 0.17 0.00 -0.01 0.00 0.00 64.34 64.44 2zit n VAL 109 Cb 0.53 -0.57 0.92 0.00 -0.91 0.00 0.00 33.84 33.81 2zit n VAL 109 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2zit h ASP 110 N 0.00 0.00 -0.11 4.52 3.32 -2.00 -1.14 116.42 121.01 2zit h ASP 110 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2zit h ASP 110 Cb 0.57 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 2zit h ASP 110 CO 0.00 0.00 0.08 0.49 -1.72 0.00 0.00 179.24 178.09 2zit n PHE 111 N -2.81 0.34 -0.29 4.55 3.72 -1.18 -4.67 117.46 117.12 2zit n PHE 111 Ca -0.02 -0.92 0.07 0.00 -0.05 0.00 0.00 57.45 56.53 2zit n PHE 111 Cb 0.19 -0.46 0.16 0.00 -0.94 0.00 0.00 39.48 38.43 2zit n PHE 111 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2zit n SER 112 N 0.76 -0.23 0.09 4.37 7.64 -0.43 -1.25 113.62 124.57 2zit n SER 112 Ca 0.07 1.40 -0.07 0.00 1.01 0.00 0.00 58.87 61.28 2zit n SER 112 Cb 0.57 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 2zit n SER 112 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2zit h SER 113 N 0.00 -0.59 0.66 6.43 4.64 -1.88 -1.60 113.55 121.20 2zit h SER 113 Ca 0.43 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2zit h SER 113 Cb 0.74 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2zit h SER 113 CO -0.82 -0.25 0.00 1.05 -0.87 0.00 0.00 176.83 175.94 2zit h GLU 114 N -0.37 0.00 -0.29 4.77 4.11 -1.75 -1.96 114.58 119.09 2zit h GLU 114 Ca -0.02 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.23 2zit h GLU 114 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2zit h GLU 114 CO -0.06 0.00 -0.53 0.28 0.07 0.00 0.00 179.01 178.78 2zit h VAL 115 N 0.00 1.28 0.00 -1.06 2.07 -0.75 -2.50 116.25 115.28 2zit h VAL 115 Ca 0.00 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2zit h VAL 115 Cb 0.33 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2zit h VAL 115 CO 0.00 0.56 0.00 0.74 0.02 0.00 0.00 177.57 178.89 2zit h THR 116 N 0.65 0.00 0.28 2.57 2.02 -0.52 -2.85 112.91 115.06 2zit h THR 116 Ca 0.02 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2zit h THR 116 Cb 1.14 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2zit h THR 116 CO 0.12 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.87 2zit h ALA 117 N 2.25 -0.43 0.00 6.16 0.00 -1.21 -0.75 119.26 125.28 2zit h ALA 117 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2zit h ALA 117 Cb 0.42 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2zit h ALA 117 CO 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.85 2zit n ALA 118 N -2.63 1.31 -0.11 0.00 0.00 -1.01 -1.92 120.51 116.16 2zit n ALA 118 Ca -0.05 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 2zit n ALA 118 Cb 0.15 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.44 2zit n ALA 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2zit n LEU 119 N -1.31 2.17 0.06 0.00 7.94 -1.08 -3.91 117.00 120.87 2zit n LEU 119 Ca 0.01 0.28 0.07 0.00 -1.11 0.00 0.00 56.01 55.26 2zit n LEU 119 Cb 0.03 -0.93 0.31 0.00 0.53 0.00 0.00 43.42 43.36 2zit n LEU 119 CO 0.02 0.57 0.71 -1.14 -1.11 0.00 0.00 177.39 176.44 2zit n ARG 120 N -4.06 0.07 -0.01 1.96 0.63 -0.29 -2.39 116.66 112.57 2zit n ARG 120 Ca -0.43 0.42 0.10 0.00 -0.92 0.00 0.00 57.85 57.02 2zit n ARG 120 Cb 0.86 -1.66 -0.15 0.00 0.45 0.00 0.00 32.46 31.96 2zit n ARG 120 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2zit n VAL 121 N -1.79 0.00 -3.13 5.15 0.24 -1.10 -5.00 118.33 112.70 2zit n VAL 121 Ca 0.01 -0.41 -0.19 0.00 -2.04 0.00 0.00 64.34 61.71 2zit n VAL 121 Cb 0.12 0.14 0.03 0.00 -1.47 0.00 0.00 33.84 32.65 2zit n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2zit s THR 122 N -3.30 2.48 0.00 3.34 -4.23 -1.00 -4.99 115.64 107.93 2zit s THR 122 Ca -0.06 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 2zit s THR 122 Cb 0.13 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.43 2zit s THR 122 CO 0.81 0.00 0.58 -0.90 -0.54 0.00 0.00 174.62 174.56 2zit n ASP 123 N -2.00 0.32 -3.86 3.99 5.75 -1.18 -4.92 116.55 114.65 2zit n ASP 123 Ca 0.11 -1.16 -0.09 0.00 -0.01 0.00 0.00 54.79 53.64 2zit n ASP 123 Cb 0.61 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.62 2zit n ASP 123 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2zit s GLY 124 N -0.16 0.10 -0.07 6.12 0.00 -0.97 -3.02 107.32 109.31 2zit s GLY 124 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 44.72 43.90 2zit s GLY 124 CO 0.00 -0.80 0.47 0.00 0.00 0.00 0.00 173.10 172.77 2zit s ALA 125 N -3.82 -1.20 -0.42 3.20 0.00 -0.68 -1.91 121.76 116.93 2zit s ALA 125 Ca 0.05 0.91 -0.05 0.00 0.00 0.00 0.00 51.96 52.86 2zit s ALA 125 Cb 0.05 -0.18 0.11 0.00 0.00 0.00 0.00 23.12 23.09 2zit s ALA 125 CO -0.11 -0.29 0.24 -1.17 0.00 0.00 0.00 175.76 174.43 2zit s LEU 126 N -0.87 5.29 -0.91 0.00 2.96 0.15 -1.37 118.68 123.94 2zit s LEU 126 Ca -0.09 -1.90 -0.24 0.00 -0.22 0.00 0.00 54.13 51.68 2zit s LEU 126 Cb -0.03 -1.89 0.06 0.00 0.50 0.00 0.00 46.19 44.82 2zit s LEU 126 CO 0.05 -0.57 1.33 -0.69 -1.32 0.00 0.00 176.35 175.15 2zit s VAL 127 N 1.24 3.99 -0.66 1.68 1.01 0.30 -0.64 120.40 127.31 2zit s VAL 127 Ca 0.06 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 2zit s VAL 127 Cb -0.24 -4.96 0.05 0.00 0.00 0.00 0.00 36.38 31.24 2zit s VAL 127 CO -0.02 -1.83 1.05 -0.69 0.00 0.00 0.00 175.10 173.60 2zit s VAL 128 N 4.85 4.18 0.27 2.92 1.01 -0.48 -1.12 120.40 132.04 2zit s VAL 128 Ca 0.40 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.42 2zit s VAL 128 Cb -0.04 -4.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 2zit s VAL 128 CO -0.02 -1.49 0.34 -0.69 0.00 0.00 0.00 175.10 173.24 2zit s VAL 129 N 4.49 4.62 0.50 2.92 1.01 -0.18 -4.48 120.40 129.26 2zit s VAL 129 Ca 0.27 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 2zit s VAL 129 Cb -0.14 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2zit s VAL 129 CO 0.13 -0.28 0.76 -0.62 0.00 0.00 0.00 175.10 175.09 2zit s ASP 130 N -3.99 5.83 -0.14 3.32 2.15 -1.23 0.12 116.67 122.73 2zit s ASP 130 Ca 0.37 0.52 -0.21 0.00 0.43 0.00 0.00 52.55 53.65 2zit s ASP 130 Cb -0.08 -1.71 -0.25 0.00 -0.30 0.00 0.00 42.92 40.57 2zit s ASP 130 CO 0.28 -0.78 0.55 0.74 -0.17 0.00 0.00 175.17 175.79 2zit h THR 131 N 0.20 1.25 0.09 1.71 2.02 -1.71 -3.23 112.91 113.24 2zit h THR 131 Ca -0.46 -2.34 -0.00 0.00 0.77 0.00 0.00 66.41 64.37 2zit h THR 131 Cb 1.25 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 70.47 2zit h THR 131 CO 0.59 0.57 -0.04 0.40 0.37 0.00 0.00 175.52 177.41 2zit h ILE 132 N -0.69 0.00 -0.06 3.11 5.03 -1.88 -3.36 117.51 119.67 2zit h ILE 132 Ca -0.22 -0.42 -0.04 0.00 -0.12 0.00 0.00 64.86 64.07 2zit h ILE 132 Cb 1.42 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 35.20 2zit h ILE 132 CO -0.02 0.00 -0.13 -0.33 -0.68 0.00 0.00 178.15 176.99 2zit h GLU 133 N -0.53 0.10 0.00 2.37 5.08 -1.99 -3.49 114.58 116.11 2zit h GLU 133 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2zit h GLU 133 Cb 0.09 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2zit h GLU 133 CO 0.02 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.67 2zit n GLY 134 N -1.04 -0.30 3.61 -3.84 0.00 -1.22 -4.68 105.19 97.72 2zit n GLY 134 Ca -0.02 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 2zit n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zit s VAL 135 N 0.00 4.12 0.16 1.61 1.01 -1.26 -3.54 120.40 122.50 2zit s VAL 135 Ca 0.00 1.20 -0.03 0.00 0.00 0.00 0.00 61.98 63.15 2zit s VAL 135 Cb 0.00 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 32.08 2zit s VAL 135 CO 0.00 -0.73 0.16 0.00 0.00 0.00 0.00 175.10 174.53 2zit h VAL 137 N -1.49 1.36 0.38 0.00 2.07 -1.99 -3.25 116.25 113.34 2zit h VAL 137 Ca -0.06 -3.03 -0.02 0.00 0.82 0.00 0.00 66.70 64.42 2zit h VAL 137 Cb 0.17 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2zit h VAL 137 CO 0.04 0.84 -0.18 -0.61 0.02 0.00 0.00 177.57 177.68 2zit h GLN 138 N 0.04 -0.50 -0.22 1.57 4.15 -2.00 -2.41 115.11 115.76 2zit h GLN 138 Ca -0.16 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.36 2zit h GLN 138 Cb 1.94 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 29.73 2zit h GLN 138 CO 0.15 -0.33 0.19 1.15 -1.93 0.00 0.00 178.83 178.06 2zit h THR 139 N -1.04 0.64 0.02 2.39 2.02 -1.92 -1.22 112.91 113.80 2zit h THR 139 Ca -0.05 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.87 2zit h THR 139 Cb 0.40 0.86 0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2zit h THR 139 CO 0.09 0.00 -1.04 -0.08 0.37 0.00 0.00 175.52 174.85 2zit h GLU 140 N 0.00 0.60 -0.27 6.66 4.81 -1.61 -3.12 114.58 121.65 2zit h GLU 140 Ca 0.10 -0.67 -0.04 0.00 -0.13 0.00 0.00 59.36 58.62 2zit h GLU 140 Cb 0.48 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2zit h GLU 140 CO -0.00 1.27 0.01 1.15 -0.73 0.00 0.00 179.01 180.71 2zit h THR 141 N 0.33 1.25 -0.63 0.32 2.02 -0.71 -2.57 112.91 112.93 2zit h THR 141 Ca -0.12 -0.90 0.12 0.00 0.77 0.00 0.00 66.41 66.28 2zit h THR 141 Cb 1.70 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 69.38 2zit h THR 141 CO 0.20 0.29 0.43 0.58 0.37 0.00 0.00 175.52 177.38 2zit h VAL 142 N 0.26 0.83 -0.44 3.16 2.07 -1.50 -1.35 116.25 119.28 2zit h VAL 142 Ca 0.08 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2zit h VAL 142 Cb 0.41 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2zit h VAL 142 CO 0.01 0.06 0.12 0.25 0.02 0.00 0.00 177.57 178.03 2zit h LEU 143 N 0.33 0.65 -1.58 2.57 5.85 -1.39 -1.78 115.31 119.96 2zit h LEU 143 Ca 0.30 -0.22 0.21 0.00 0.84 0.00 0.00 57.88 59.01 2zit h LEU 143 Cb 0.73 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 2zit h LEU 143 CO -0.08 0.71 0.60 0.03 -0.34 0.00 0.00 178.44 179.36 2zit h ARG 144 N 0.57 0.33 0.11 1.25 3.08 -1.06 0.13 114.38 118.79 2zit h ARG 144 Ca 0.14 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2zit h ARG 144 Cb 0.30 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2zit h ARG 144 CO -0.00 0.22 -0.05 1.96 -1.07 0.00 0.00 179.97 181.02 2zit h GLN 145 N 0.34 -0.15 -0.73 0.04 1.08 -1.33 -2.99 115.11 111.38 2zit h GLN 145 Ca 0.46 0.01 0.21 0.00 -1.45 0.00 0.00 58.65 57.88 2zit h GLN 145 Cb 1.26 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.69 2zit h GLN 145 CO -0.16 0.34 0.52 0.00 -0.95 0.00 0.00 178.83 178.59 2zit h ALA 146 N -0.12 2.63 -0.32 3.87 0.00 -0.46 0.11 119.26 124.98 2zit h ALA 146 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2zit h ALA 146 Cb 0.56 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2zit h ALA 146 CO 0.03 -0.84 -0.51 -0.07 0.00 0.00 0.00 179.25 177.86 2zit h LEU 147 N 0.04 0.99 0.00 0.00 3.38 -1.03 -2.55 115.31 116.14 2zit h LEU 147 Ca 0.35 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2zit h LEU 147 Cb 1.34 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2zit h LEU 147 CO -0.02 1.31 0.00 0.61 0.09 0.00 0.00 178.44 180.44 2zit n GLY 148 N 0.31 -0.86 0.41 0.83 0.00 0.33 -2.56 105.19 103.66 2zit n GLY 148 Ca -0.04 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.92 2zit n GLY 148 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2zit n GLU 149 N -1.20 1.57 -3.21 1.61 -0.58 -0.92 -5.02 120.64 112.90 2zit n GLU 149 Ca 0.11 -1.47 -0.14 0.00 -0.42 0.00 0.00 57.16 55.24 2zit n GLU 149 Cb 0.13 -1.18 0.07 0.00 -0.57 0.00 0.00 31.44 29.89 2zit n GLU 149 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2zit n ARG 150 N 0.37 -2.18 -4.31 3.49 1.74 -1.06 -4.99 116.66 109.72 2zit n ARG 150 Ca 0.07 0.87 -0.30 0.00 -0.77 0.00 0.00 57.85 57.71 2zit n ARG 150 Cb 0.30 -5.74 -0.16 0.00 -1.02 0.00 0.00 32.46 25.83 2zit n ARG 150 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2zit s ILE 151 N -3.37 1.71 0.00 0.55 1.01 -0.99 -4.90 121.20 115.21 2zit s ILE 151 Ca 0.44 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 2zit s ILE 151 Cb -0.06 -1.56 -0.08 0.00 0.01 0.00 0.00 42.46 40.77 2zit s ILE 151 CO 0.72 0.48 2.00 -0.75 0.00 0.00 0.00 174.94 177.40 2zit s LYS 152 N 1.16 4.00 -0.03 2.79 2.47 -1.17 -4.75 119.74 124.22 2zit s LYS 152 Ca -0.01 2.53 -0.15 0.00 -1.56 0.00 0.00 55.97 56.78 2zit s LYS 152 Cb -0.14 -4.19 -0.05 0.00 -1.46 0.00 0.00 37.83 31.99 2zit s LYS 152 CO -0.06 -1.11 0.40 -1.25 0.16 0.00 0.00 175.35 173.49 2zit s PRO 153 N 4.72 3.99 -0.02 4.03 0.04 -1.26 -1.69 135.00 144.80 2zit s PRO 153 Ca 0.90 0.39 0.08 0.00 0.04 0.00 0.00 61.00 62.40 2zit s PRO 153 Cb -0.41 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2zit s PRO 153 CO 0.41 0.59 -0.25 0.08 0.04 0.00 0.00 177.00 177.87 2zit s VAL 154 N -0.75 1.96 -0.16 -0.36 1.01 -0.47 -4.85 120.40 116.78 2zit s VAL 154 Ca 0.23 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2zit s VAL 154 Cb -0.16 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2zit s VAL 154 CO 0.12 0.55 0.04 -0.69 0.00 0.00 0.00 175.10 175.12 2zit s VAL 155 N -0.57 4.58 -0.17 2.92 1.01 -1.13 0.11 120.40 127.14 2zit s VAL 155 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 2zit s VAL 155 Cb -0.10 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.31 2zit s VAL 155 CO -0.01 0.49 0.03 -0.69 0.00 0.00 0.00 175.10 174.93 2zit s VAL 156 N 0.13 0.49 -0.66 2.92 1.01 -0.27 -1.79 120.40 122.23 2zit s VAL 156 Ca 0.03 -0.43 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 2zit s VAL 156 Cb -0.13 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.37 2zit s VAL 156 CO 0.01 -0.12 1.07 -0.63 0.00 0.00 0.00 175.10 175.43 2zit s ILE 157 N 1.88 4.13 0.59 2.22 1.01 -0.52 -1.01 121.20 129.51 2zit s ILE 157 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2zit s ILE 157 Cb -0.16 -4.74 0.04 0.00 0.01 0.00 0.00 42.46 37.61 2zit s ILE 157 CO -0.08 -1.52 0.84 0.21 0.00 0.00 0.00 174.94 174.39 2zit s ASN 158 N 3.54 5.22 -1.26 3.58 2.47 0.12 -1.24 114.94 127.36 2zit s ASN 158 Ca 0.28 0.19 -0.03 0.00 0.42 0.00 0.00 52.86 53.73 2zit s ASN 158 Cb -0.13 -1.05 0.00 0.00 -1.45 0.00 0.00 41.25 38.62 2zit s ASN 158 CO 0.14 -1.23 1.04 0.29 -3.72 0.00 0.00 177.10 173.63 2zit n LYS 159 N -2.50 -6.95 0.21 0.43 5.02 -0.49 -2.62 118.16 111.26 2zit n LYS 159 Ca 0.07 0.83 0.10 0.00 -2.02 0.00 0.00 58.31 57.29 2zit n LYS 159 Cb 0.60 -5.84 0.31 0.00 -0.02 0.00 0.00 35.03 30.07 2zit n LYS 159 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2zit h VAL 160 N -2.14 0.41 0.00 -0.18 2.07 -1.74 -2.98 116.25 111.69 2zit h VAL 160 Ca -0.58 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 65.60 2zit h VAL 160 Cb 1.35 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 2zit h VAL 160 CO 0.52 0.20 -0.29 -2.24 0.02 0.00 0.00 177.57 175.79 2zit h ASP 161 N 0.00 0.00 0.45 0.57 3.04 -1.90 -2.41 116.42 116.17 2zit h ASP 161 Ca -0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 2zit h ASP 161 Cb 0.93 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.22 2zit h ASP 161 CO 0.03 0.29 -0.03 -0.09 -2.04 0.00 0.00 179.24 177.39 2zit h ARG 162 N 0.00 0.00 0.00 4.15 2.43 -1.91 -1.27 114.38 117.78 2zit h ARG 162 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2zit h ARG 162 Cb 0.54 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2zit h ARG 162 CO 0.04 0.03 -1.13 0.00 -1.51 0.00 0.00 179.97 177.40 2zit n ALA 163 N -2.14 2.44 -0.10 2.80 0.00 -0.91 -3.50 120.51 119.10 2zit n ALA 163 Ca -0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 53.44 52.93 2zit n ALA 163 Cb 0.20 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 2zit n ALA 163 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2zit n LEU 164 N -2.69 1.85 0.02 0.00 4.77 -0.76 -1.89 117.00 118.31 2zit n LEU 164 Ca -0.02 0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2zit n LEU 164 Cb 0.60 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2zit n LEU 164 CO 0.41 0.18 0.35 -0.07 -1.33 0.00 0.00 177.39 176.93 2zit h LEU 165 N -1.00 0.66 0.00 2.23 4.07 -1.47 -3.10 115.31 116.69 2zit h LEU 165 Ca -0.31 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.23 2zit h LEU 165 Cb 1.20 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.75 2zit h LEU 165 CO -0.19 1.17 0.00 -0.62 -1.08 0.00 0.00 178.44 177.72 2zit n GLU 166 N -3.89 0.00 0.29 1.13 1.02 -1.23 -4.56 120.64 113.40 2zit n GLU 166 Ca -0.05 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.27 2zit n GLU 166 Cb 0.70 -0.20 0.96 0.00 -0.02 0.00 0.00 31.44 32.87 2zit n GLU 166 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2zit h LEU 167 N 0.00 0.00 0.18 -4.62 4.07 -1.66 -3.45 115.31 109.84 2zit h LEU 167 Ca 0.00 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.55 2zit h LEU 167 Cb 0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 2zit h LEU 167 CO 0.00 0.00 -0.64 0.00 -1.08 0.00 0.00 178.44 176.72 2zit n GLN 168 N -3.30 -5.08 -1.95 1.13 6.02 -1.00 -4.90 117.38 108.30 2zit n GLN 168 Ca -0.01 0.71 -0.40 0.00 -0.01 0.00 0.00 57.00 57.29 2zit n GLN 168 Cb 0.25 -5.57 -0.00 0.00 1.02 0.00 0.00 30.24 25.94 2zit n GLN 168 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2zit s VAL 169 N -3.16 2.37 1.05 5.09 0.11 -0.79 -5.01 120.40 120.05 2zit s VAL 169 Ca 0.45 0.35 -0.18 0.00 -2.93 0.00 0.00 61.98 59.68 2zit s VAL 169 Cb -0.22 -3.22 0.24 0.00 -1.53 0.00 0.00 36.38 31.66 2zit s VAL 169 CO 0.56 0.07 1.30 -0.94 -3.33 0.00 0.00 175.10 172.76 2zit s SER 170 N -0.45 2.32 0.07 3.54 1.04 -1.26 -4.81 113.70 114.15 2zit s SER 170 Ca 0.54 0.24 -0.19 0.00 0.48 0.00 0.00 55.95 57.02 2zit s SER 170 Cb -0.42 -0.23 -0.10 0.00 0.10 0.00 0.00 66.02 65.37 2zit s SER 170 CO 0.56 -3.22 1.46 0.11 0.98 0.00 0.00 173.24 173.12 2zit h LYS 171 N -1.98 0.42 -0.43 4.02 1.57 -1.96 -1.27 116.57 116.94 2zit h LYS 171 Ca -0.44 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.04 2zit h LYS 171 Cb 1.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2zit h LYS 171 CO 0.31 0.67 -0.27 1.49 -0.57 0.00 0.00 179.45 181.08 2zit h GLU 172 N 0.14 0.92 -0.18 3.15 4.57 -1.96 -2.07 114.58 119.15 2zit h GLU 172 Ca 0.05 -0.42 -0.15 0.00 -1.18 0.00 0.00 59.36 57.67 2zit h GLU 172 Cb 0.52 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2zit h GLU 172 CO 0.02 1.07 -0.52 -0.44 -1.18 0.00 0.00 179.01 177.96 2zit h ASP 173 N 0.78 0.56 0.88 1.04 3.32 -1.93 -2.47 116.42 118.60 2zit h ASP 173 Ca 0.09 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 2zit h ASP 173 Cb 0.84 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2zit h ASP 173 CO 0.07 0.98 -0.48 0.25 -1.72 0.00 0.00 179.24 178.34 2zit h LEU 174 N 0.40 0.00 -0.28 1.55 5.85 -1.19 -2.93 115.31 118.71 2zit h LEU 174 Ca 0.01 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 2zit h LEU 174 Cb 1.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2zit h LEU 174 CO 0.10 0.48 -0.53 0.22 -0.34 0.00 0.00 178.44 178.37 2zit h TYR 175 N 0.00 1.08 0.00 1.25 3.20 -1.18 -2.53 116.97 118.79 2zit h TYR 175 Ca -0.00 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.48 2zit h TYR 175 Cb 1.05 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2zit h TYR 175 CO 0.00 1.21 0.00 1.04 -1.64 0.00 0.00 178.16 178.77 2zit n GLN 176 N -4.03 0.01 -0.04 1.82 1.13 -0.95 -2.25 117.38 113.07 2zit n GLN 176 Ca -0.04 0.25 -0.12 0.00 -1.94 0.00 0.00 57.00 55.15 2zit n GLN 176 Cb 0.62 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.36 2zit n GLN 176 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2zit h THR 177 N 0.00 1.42 -0.00 5.09 2.02 -1.26 -3.09 112.91 117.08 2zit h THR 177 Ca 0.00 -1.84 -0.12 0.00 0.77 0.00 0.00 66.41 65.23 2zit h THR 177 Cb 0.24 2.58 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 2zit h THR 177 CO 0.00 0.44 -0.55 -0.26 0.37 0.00 0.00 175.52 175.52 2zit h PHE 178 N -0.89 0.01 -0.40 3.16 0.04 -1.49 -1.06 116.94 116.31 2zit h PHE 178 Ca -0.00 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2zit h PHE 178 Cb 0.75 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 2zit h PHE 178 CO 0.19 0.56 0.10 0.00 -0.60 0.00 0.00 178.31 178.56 2zit h ALA 179 N 1.44 1.44 0.00 2.45 0.00 -1.55 0.13 119.26 123.17 2zit h ALA 179 Ca -0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 2zit h ALA 179 Cb 0.98 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2zit h ALA 179 CO 0.07 0.41 -1.42 0.00 0.00 0.00 0.00 179.25 178.32 2zit h ARG 180 N 0.57 0.00 -0.10 0.00 3.08 -1.43 -2.87 114.38 113.62 2zit h ARG 180 Ca 0.13 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 2zit h ARG 180 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2zit h ARG 180 CO -0.00 0.43 -0.04 1.15 -1.07 0.00 0.00 179.97 180.45 2zit h THR 181 N 0.00 1.30 0.00 2.04 2.02 -0.76 -0.37 112.91 117.15 2zit h THR 181 Ca -0.18 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 65.99 2zit h THR 181 Cb 1.74 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2zit h THR 181 CO 0.07 0.29 0.00 0.58 0.37 0.00 0.00 175.52 176.82 2zit h VAL 182 N -0.13 0.00 0.00 3.16 2.07 -0.90 -2.72 116.25 117.73 2zit h VAL 182 Ca 0.03 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 2zit h VAL 182 Cb 0.46 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2zit h VAL 182 CO 0.01 0.00 -0.55 -0.08 0.02 0.00 0.00 177.57 176.97 2zit h GLU 183 N 0.00 0.00 0.00 1.57 4.57 -1.37 -1.51 114.58 117.85 2zit h GLU 183 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2zit h GLU 183 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2zit h GLU 183 CO 0.00 0.45 0.00 0.43 -1.18 0.00 0.00 179.01 178.71 2zit n SER 184 N -3.19 0.00 -0.13 1.04 7.64 -0.16 -3.08 113.62 115.75 2zit n SER 184 Ca 0.01 0.35 -0.26 0.00 1.01 0.00 0.00 58.87 59.99 2zit n SER 184 Cb 0.73 -0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 63.38 2zit n SER 184 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2zit n VAL 185 N -1.45 1.53 -0.02 0.44 0.31 -1.08 -4.14 118.33 113.93 2zit n VAL 185 Ca 0.08 -0.25 0.02 0.00 -0.01 0.00 0.00 64.34 64.18 2zit n VAL 185 Cb 0.29 -1.96 0.37 0.00 -0.91 0.00 0.00 33.84 31.62 2zit n VAL 185 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2zit h ASN 186 N -1.00 0.51 -0.61 4.52 -1.07 -1.37 0.23 115.58 116.79 2zit h ASN 186 Ca -0.56 -0.04 -0.05 0.00 0.07 0.00 0.00 56.30 55.72 2zit h ASN 186 Cb 1.47 -0.13 -0.03 0.00 -2.07 0.00 0.00 38.32 37.57 2zit h ASN 186 CO -0.34 0.44 0.17 0.58 0.07 0.00 0.00 177.43 178.35 2zit h VAL 187 N 0.57 1.25 0.00 6.14 2.07 -1.78 0.49 116.25 124.99 2zit h VAL 187 Ca 0.14 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 2zit h VAL 187 Cb 0.07 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2zit h VAL 187 CO -0.02 0.33 -0.32 0.40 0.02 0.00 0.00 177.57 177.97 2zit h ILE 188 N 0.87 0.87 0.05 4.57 1.08 -1.44 -2.93 117.51 120.59 2zit h ILE 188 Ca 0.19 -1.30 -0.00 0.00 -0.39 0.00 0.00 64.86 63.36 2zit h ILE 188 Cb 0.32 1.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 2zit h ILE 188 CO -0.00 0.32 -0.03 0.58 -0.69 0.00 0.00 178.15 178.33 2zit h VAL 189 N 0.00 0.00 -0.09 1.67 2.07 0.26 -3.00 116.25 117.16 2zit h VAL 189 Ca -0.00 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2zit h VAL 189 Cb 0.76 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2zit h VAL 189 CO 0.04 0.00 0.56 0.77 0.02 0.00 0.00 177.57 178.96 2zit h SER 190 N -0.26 0.00 0.00 0.57 4.64 -0.15 0.11 113.55 118.46 2zit h SER 190 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2zit h SER 190 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2zit h SER 190 CO 0.01 0.00 0.00 0.41 -0.87 0.00 0.00 176.83 176.38 2zit n THR 191 N -2.88 0.00 1.09 2.95 -1.04 -1.11 -4.26 114.28 109.03 2zit n THR 191 Ca 0.01 0.34 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 2zit n THR 191 Cb 0.62 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 2zit n THR 191 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2zit n TYR 192 N -1.52 0.00 -3.05 -1.42 4.01 -1.01 -4.78 117.16 109.39 2zit n TYR 192 Ca 0.00 -0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 2zit n TYR 192 Cb 0.00 -0.09 -0.05 0.00 -0.31 0.00 0.00 39.34 38.89 2zit n TYR 192 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2zit s ALA 193 N -1.09 3.53 0.77 -0.72 0.00 0.35 -4.65 121.76 119.94 2zit s ALA 193 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 2zit s ALA 193 Cb 0.00 -3.05 0.06 0.00 0.00 0.00 0.00 23.12 20.13 2zit s ALA 193 CO 0.00 -0.56 1.21 0.34 0.00 0.00 0.00 175.76 176.75 2zit s ASP 194 N 1.17 3.91 0.04 0.00 -1.08 -1.26 -4.95 116.67 114.49 2zit s ASP 194 Ca 0.32 2.38 -0.22 0.00 -0.52 0.00 0.00 52.55 54.51 2zit s ASP 194 Cb -0.16 -2.59 -0.15 0.00 -1.46 0.00 0.00 42.92 38.56 2zit s ASP 194 CO 0.11 -2.46 1.39 -0.33 0.52 0.00 0.00 175.17 174.40 2zit h GLU 195 N -0.56 0.25 -0.81 4.34 5.08 -1.96 -3.24 114.58 117.67 2zit h GLU 195 Ca -0.47 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 57.81 2zit h GLU 195 Cb 1.30 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 2zit h GLU 195 CO 0.48 0.59 0.52 0.28 -1.00 0.00 0.00 179.01 179.88 2zit h VAL 196 N -0.10 1.13 0.00 3.13 2.07 -2.05 -0.35 116.25 120.08 2zit h VAL 196 Ca 0.03 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2zit h VAL 196 Cb 0.51 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2zit h VAL 196 CO 0.02 0.18 0.00 0.18 0.02 0.00 0.00 177.57 177.97 2zit n LEU 197 N -4.58 0.51 0.00 2.57 4.77 -1.23 -4.96 117.00 114.09 2zit n LEU 197 Ca 0.10 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 2zit n LEU 197 Cb 0.09 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2zit n LEU 197 CO 0.34 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 176.27 2zit n GLY 198 N -0.80 -0.84 3.62 -0.72 0.00 -0.14 -4.55 105.19 101.75 2zit n GLY 198 Ca 0.00 -0.97 -0.46 0.00 0.00 0.00 0.00 46.02 44.59 2zit n GLY 198 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2zit n ASP 199 N -3.02 3.33 0.00 1.61 2.03 -1.26 -4.80 116.55 114.45 2zit n ASP 199 Ca 0.00 0.65 0.00 0.00 0.52 0.00 0.00 54.79 55.96 2zit n ASP 199 Cb 0.00 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 38.96 2zit n ASP 199 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2zit n VAL 200 N 6.29 0.54 -1.54 5.18 3.14 -1.26 -5.07 118.33 125.61 2zit n VAL 200 Ca 0.27 -0.74 -0.38 0.00 -2.96 0.00 0.00 64.34 60.53 2zit n VAL 200 Cb 0.35 0.76 0.04 0.00 -1.06 0.00 0.00 33.84 33.93 2zit n VAL 200 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2zit n GLN 201 N -0.27 0.74 -3.15 1.45 6.02 -1.26 -4.82 117.38 116.08 2zit n GLN 201 Ca 0.00 0.28 -0.39 0.00 -0.01 0.00 0.00 57.00 56.88 2zit n GLN 201 Cb 0.16 -1.90 -0.06 0.00 1.02 0.00 0.00 30.24 29.46 2zit n GLN 201 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2zit s VAL 202 N -1.59 5.08 -0.19 5.09 -7.23 -1.26 -5.06 120.40 115.24 2zit s VAL 202 Ca 0.71 1.19 0.01 0.00 -1.81 0.00 0.00 61.98 62.08 2zit s VAL 202 Cb -0.45 -3.94 0.02 0.00 0.56 0.00 0.00 36.38 32.57 2zit s VAL 202 CO 0.52 0.21 -0.19 -0.31 -0.31 0.00 0.00 175.10 175.02 2zit s TYR 203 N 1.24 2.82 0.30 2.82 2.02 -1.26 -4.94 117.35 120.35 2zit s TYR 203 Ca 0.30 -1.65 -0.01 0.00 -0.37 0.00 0.00 57.07 55.35 2zit s TYR 203 Cb -0.16 -1.93 0.49 0.00 -0.40 0.00 0.00 41.96 39.96 2zit s TYR 203 CO 0.13 -0.80 1.95 -1.35 -1.57 0.00 0.00 175.55 173.91 2zit h PRO 204 N 7.94 1.03 0.00 -1.71 0.11 -1.88 -1.61 132.00 135.88 2zit h PRO 204 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2zit h PRO 204 Cb 1.14 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2zit h PRO 204 CO 0.63 0.68 0.00 0.00 -0.21 0.00 0.00 178.00 179.10 2zit n ALA 205 N -2.41 2.36 0.24 -0.75 0.00 -1.26 -2.32 120.51 116.38 2zit n ALA 205 Ca 0.11 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.45 2zit n ALA 205 Cb 0.09 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 2zit n ALA 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2zit n ARG 206 N -0.91 4.50 -0.15 0.00 1.74 -0.64 -4.32 116.66 116.87 2zit n ARG 206 Ca 0.15 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2zit n ARG 206 Cb 0.07 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 2zit n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zit n GLY 207 N 1.01 0.92 1.14 -0.13 0.00 -0.98 -4.95 105.19 102.20 2zit n GLY 207 Ca 0.01 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.10 2zit n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2zit n THR 208 N -2.15 0.66 -3.69 2.61 -2.24 -1.02 -4.65 114.28 103.80 2zit n THR 208 Ca 0.00 -0.78 -0.22 0.00 -2.27 0.00 0.00 64.05 60.78 2zit n THR 208 Cb 0.00 0.68 -0.18 0.00 -2.10 0.00 0.00 70.33 68.73 2zit n THR 208 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2zit s VAL 209 N -1.34 0.02 0.42 2.28 1.01 -1.25 -2.86 120.40 118.68 2zit s VAL 209 Ca 0.41 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.71 2zit s VAL 209 Cb 0.23 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 2zit s VAL 209 CO 0.31 0.12 0.29 0.00 0.00 0.00 0.00 175.10 175.82 2zit s ALA 210 N 2.11 3.86 -0.12 5.51 0.00 -0.74 -4.22 121.76 128.17 2zit s ALA 210 Ca 0.04 -1.96 -0.10 0.00 0.00 0.00 0.00 51.96 49.95 2zit s ALA 210 Cb -0.13 -0.71 0.04 0.00 0.00 0.00 0.00 23.12 22.32 2zit s ALA 210 CO -0.04 -0.21 0.31 -0.06 0.00 0.00 0.00 175.76 175.75 2zit s PHE 211 N -2.54 -0.36 -2.79 0.00 0.08 0.30 -1.44 117.98 111.23 2zit s PHE 211 Ca 0.44 0.86 0.00 0.00 0.12 0.00 0.00 56.93 58.35 2zit s PHE 211 Cb 0.00 0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.57 2zit s PHE 211 CO 0.25 -0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.59 2zit n GLY 212 N 3.27 -1.20 3.09 4.36 0.00 -0.38 0.57 105.19 114.89 2zit n GLY 212 Ca -0.16 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 2zit n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2zit s SER 213 N -4.00 1.19 -0.04 1.61 0.15 0.17 -1.40 113.70 111.38 2zit s SER 213 Ca 0.00 -0.45 -0.05 0.00 0.70 0.00 0.00 55.95 56.15 2zit s SER 213 Cb 0.00 -0.04 -0.28 0.00 -1.71 0.00 0.00 66.02 63.99 2zit s SER 213 CO 0.00 -0.06 0.67 1.23 1.20 0.00 0.00 173.24 176.28 2zit h GLY 214 N 4.87 0.33 0.36 9.45 0.00 -1.88 -1.47 103.07 114.72 2zit h GLY 214 Ca -0.36 -0.84 0.06 0.00 0.00 0.00 0.00 47.33 46.19 2zit h GLY 214 CO 0.43 0.73 -0.12 -2.00 0.00 0.00 0.00 176.54 175.58 2zit h LEU 215 N 0.08 -0.41 -0.05 3.11 5.85 -1.95 -2.31 115.31 119.64 2zit h LEU 215 Ca -0.32 0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.35 2zit h LEU 215 Cb 2.05 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 43.29 2zit h LEU 215 CO 0.15 -0.15 -0.73 0.45 -0.34 0.00 0.00 178.44 177.81 2zit h HIS 216 N -0.08 0.00 -0.61 1.25 3.86 -1.94 -3.48 115.15 114.14 2zit h HIS 216 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2zit h HIS 216 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2zit h HIS 216 CO -0.30 0.73 0.00 0.41 0.86 0.00 0.00 177.93 179.62 2zit n GLY 217 N 1.23 0.97 3.10 2.45 0.00 -0.87 -4.61 105.19 107.47 2zit n GLY 217 Ca 0.01 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 2zit n GLY 217 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2zit s TRP 218 N -2.61 0.92 -0.17 1.61 1.48 -0.58 -2.73 118.94 116.86 2zit s TRP 218 Ca 0.00 -0.43 -0.30 0.00 -1.06 0.00 0.00 56.10 54.32 2zit s TRP 218 Cb 0.00 -0.54 0.12 0.00 -1.16 0.00 0.00 33.47 31.89 2zit s TRP 218 CO 0.00 -0.01 0.98 0.00 -4.06 0.00 0.00 176.95 173.85 2zit s ALA 219 N -1.15 -1.92 -0.01 2.67 0.00 -0.98 0.46 121.76 120.83 2zit s ALA 219 Ca -0.04 1.60 -0.04 0.00 0.00 0.00 0.00 51.96 53.48 2zit s ALA 219 Cb -0.09 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 2zit s ALA 219 CO 0.01 -0.30 0.08 -0.59 0.00 0.00 0.00 175.76 174.95 2zit s PHE 220 N -0.95 0.04 0.14 0.00 -0.12 0.19 -4.32 117.98 112.97 2zit s PHE 220 Ca -0.02 -0.07 0.05 0.00 -0.05 0.00 0.00 56.93 56.84 2zit s PHE 220 Cb -0.01 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 2zit s PHE 220 CO 0.01 -0.16 0.07 0.95 -0.05 0.00 0.00 175.22 176.04 2zit s THR 221 N -0.80 4.19 0.56 -4.49 -4.23 -1.26 -0.54 115.64 109.07 2zit s THR 221 Ca -0.09 -1.12 0.31 0.00 -1.18 0.00 0.00 61.69 59.60 2zit s THR 221 Cb -0.05 -3.09 0.35 0.00 1.34 0.00 0.00 72.50 71.05 2zit s THR 221 CO 0.00 -0.04 2.23 0.40 -0.54 0.00 0.00 174.62 176.68 2zit h ILE 222 N 2.38 0.49 0.00 2.99 2.04 -1.75 0.09 117.51 123.75 2zit h ILE 222 Ca -0.47 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2zit h ILE 222 Cb 1.19 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2zit h ILE 222 CO 0.61 0.02 0.00 -1.14 0.00 0.00 0.00 178.15 177.64 2zit n ARG 223 N -3.75 0.12 -0.05 2.37 0.63 -1.26 -2.95 116.66 111.77 2zit n ARG 223 Ca -0.03 0.19 -0.18 0.00 -0.92 0.00 0.00 57.85 56.92 2zit n ARG 223 Cb 0.11 -1.67 -0.13 0.00 0.45 0.00 0.00 32.46 31.22 2zit n ARG 223 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2zit h GLN 224 N 0.00 0.07 0.00 -0.14 4.20 -1.37 -3.25 115.11 114.62 2zit h GLN 224 Ca 0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2zit h GLN 224 Cb 0.51 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2zit h GLN 224 CO 0.00 1.05 0.00 1.19 -0.67 0.00 0.00 178.83 180.40 2zit n PHE 225 N -4.42 0.00 0.07 2.96 3.72 -1.22 -2.44 117.46 116.12 2zit n PHE 225 Ca -0.18 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.31 2zit n PHE 225 Cb 0.62 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 39.07 2zit n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2zit n ALA 226 N -1.04 2.42 0.23 4.37 0.00 -1.15 -2.75 120.51 122.59 2zit n ALA 226 Ca 0.19 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.37 2zit n ALA 226 Cb 0.11 -0.99 0.13 0.00 0.00 0.00 0.00 19.45 18.69 2zit n ALA 226 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2zit h THR 227 N 0.00 0.00 0.06 0.00 2.02 -1.51 -2.89 112.91 110.59 2zit h THR 227 Ca -0.05 -0.94 -0.29 0.00 0.77 0.00 0.00 66.41 65.90 2zit h THR 227 Cb 1.16 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 2zit h THR 227 CO 0.01 0.00 -1.56 0.03 0.37 0.00 0.00 175.52 174.37 2zit h ARG 228 N 0.00 0.13 -0.17 6.66 3.08 -1.65 -3.37 114.38 119.06 2zit h ARG 228 Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2zit h ARG 228 Cb 0.97 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2zit h ARG 228 CO 0.00 1.11 0.00 0.66 -1.07 0.00 0.00 179.97 180.67 2zit n TYR 229 N -4.01 0.23 0.14 3.04 4.01 -1.11 -3.44 117.16 116.02 2zit n TYR 229 Ca -0.31 -0.11 0.02 0.00 -0.16 0.00 0.00 57.90 57.34 2zit n TYR 229 Cb 0.85 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.92 2zit n TYR 229 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2zit h ALA 230 N 3.69 0.68 0.02 -0.72 0.00 -1.66 -3.16 119.26 118.10 2zit h ALA 230 Ca 0.00 -0.47 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 2zit h ALA 230 Cb 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2zit h ALA 230 CO 0.00 0.64 -1.95 1.63 0.00 0.00 0.00 179.25 179.58 2zit n LYS 231 N -3.25 0.61 0.29 0.00 5.02 -1.22 -1.32 118.16 118.28 2zit n LYS 231 Ca 0.02 0.38 0.15 0.00 -2.02 0.00 0.00 58.31 56.84 2zit n LYS 231 Cb 0.73 -1.63 0.88 0.00 -0.02 0.00 0.00 35.03 34.99 2zit n LYS 231 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2zit h LYS 232 N -0.76 0.00 -0.01 1.97 1.57 -1.72 -2.28 116.57 115.35 2zit h LYS 232 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2zit h LYS 232 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.88 2zit h LYS 232 CO -0.24 0.03 -0.16 1.19 -0.57 0.00 0.00 179.45 179.70 2zit n PHE 233 N -3.76 0.00 -3.27 -1.35 3.72 -1.19 -5.04 117.46 106.58 2zit n PHE 233 Ca -0.03 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.22 2zit n PHE 233 Cb 0.12 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.74 2zit n PHE 233 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2zit n GLY 234 N 0.80 -0.54 2.84 1.37 0.00 -0.86 -5.04 105.19 103.77 2zit n GLY 234 Ca 0.03 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 2zit n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zit s VAL 235 N -3.34 0.03 0.12 1.61 1.01 -0.44 -5.02 120.40 114.38 2zit s VAL 235 Ca 0.14 0.06 -0.35 0.00 0.00 0.00 0.00 61.98 61.83 2zit s VAL 235 Cb -0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 36.38 36.12 2zit s VAL 235 CO 0.68 0.06 1.42 -0.90 0.00 0.00 0.00 175.10 176.36 2zit n ASP 236 N 3.55 2.20 0.27 3.32 5.68 -1.26 -4.45 116.55 125.87 2zit n ASP 236 Ca -0.19 1.11 0.18 0.00 -0.50 0.00 0.00 54.79 55.39 2zit n ASP 236 Cb 0.55 -1.29 0.96 0.00 -1.14 0.00 0.00 41.12 40.21 2zit n ASP 236 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2zit h LYS 237 N 4.98 0.00 -0.32 0.11 2.10 -1.89 -0.93 116.57 120.62 2zit h LYS 237 Ca -0.46 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.20 2zit h LYS 237 Cb 1.30 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.61 2zit h LYS 237 CO 0.81 0.00 0.20 0.00 -2.00 0.00 0.00 179.45 178.46 2zit h ALA 238 N 2.01 0.41 0.00 0.07 0.00 -1.91 -0.12 119.26 119.71 2zit h ALA 238 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2zit h ALA 238 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2zit h ALA 238 CO 0.00 -0.16 -0.96 -0.22 0.00 0.00 0.00 179.25 177.91 2zit h LYS 239 N 0.40 0.00 -0.23 0.00 3.64 -1.58 -3.30 116.57 115.50 2zit h LYS 239 Ca 0.12 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2zit h LYS 239 Cb -0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2zit h LYS 239 CO -0.05 0.59 -0.16 1.98 -2.27 0.00 0.00 179.45 179.54 2zit h MET 240 N 0.00 0.40 -0.47 1.90 4.05 -0.96 -2.50 114.93 117.35 2zit h MET 240 Ca -0.07 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.18 2zit h MET 240 Cb 1.60 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.34 2zit h MET 240 CO 0.08 0.56 0.10 0.52 0.23 0.00 0.00 176.91 178.39 2zit h MET 241 N 0.37 0.77 -0.08 0.39 2.86 -1.10 -3.11 114.93 115.02 2zit h MET 241 Ca 0.07 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2zit h MET 241 Cb 0.51 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 2zit h MET 241 CO 0.03 0.77 -0.09 0.22 1.06 0.00 0.00 176.91 178.90 2zit h ASP 242 N 0.65 -0.26 -0.38 1.22 1.82 -1.54 -3.06 116.42 114.85 2zit h ASP 242 Ca 0.15 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 2zit h ASP 242 Cb 0.36 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 2zit h ASP 242 CO 0.01 -0.12 0.20 0.03 -1.61 0.00 0.00 179.24 177.74 2zit h ARG 243 N -0.11 0.54 -0.84 0.28 3.08 -1.56 -3.14 114.38 112.63 2zit h ARG 243 Ca 0.06 -0.07 0.17 0.00 0.07 0.00 0.00 59.98 60.21 2zit h ARG 243 Cb 0.20 -0.10 -0.16 0.00 0.08 0.00 0.00 29.97 29.99 2zit h ARG 243 CO -0.15 0.46 -0.20 -0.07 -1.07 0.00 0.00 179.97 178.94 2zit h LEU 244 N 0.48 -0.77-10.04 3.04 3.38 -1.46 -3.39 115.31 106.54 2zit h LEU 244 Ca 0.13 0.25 -0.54 0.00 0.09 0.00 0.00 57.88 57.81 2zit h LEU 244 Cb 0.09 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2zit h LEU 244 CO -0.02 -0.28 -0.42 0.86 0.09 0.00 0.00 178.44 178.67 2zit s TRP 245 N -6.24 3.49 0.00 1.13 -0.11 -1.19 -1.94 118.94 114.07 2zit s TRP 245 Ca -0.15 0.21 0.00 0.00 1.22 0.00 0.00 56.10 57.38 2zit s TRP 245 Cb 0.24 -1.74 0.00 0.00 -1.50 0.00 0.00 33.47 30.47 2zit s TRP 245 CO 0.76 0.47 0.00 0.41 -4.62 0.00 0.00 176.95 173.97 2zit n GLY 246 N -0.53 -2.07 3.58 5.86 0.00 -1.26 -4.58 105.19 106.19 2zit n GLY 246 Ca -0.06 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 2zit n GLY 246 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2zit s ASP 247 N -3.89 5.85 -0.06 1.61 1.01 -1.26 -4.75 116.67 115.18 2zit s ASP 247 Ca 0.00 -1.97 -0.02 0.00 0.71 0.00 0.00 52.55 51.27 2zit s ASP 247 Cb 0.00 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.38 2zit s ASP 247 CO 0.00 -2.21 0.11 -0.44 0.21 0.00 0.00 175.17 172.84 2zit s SER 248 N 5.52 0.40 0.19 0.27 0.01 -1.26 -4.65 113.70 114.18 2zit s SER 248 Ca 0.62 0.22 0.08 0.00 1.31 0.00 0.00 55.95 58.18 2zit s SER 248 Cb 0.01 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.30 2zit s SER 248 CO 0.10 -0.19 -0.16 -0.36 0.41 0.00 0.00 173.24 173.04 2zit s PHE 249 N 1.66 1.77 -0.37 2.43 0.08 -0.72 0.18 117.98 123.01 2zit s PHE 249 Ca -0.03 -0.52 0.01 0.00 0.12 0.00 0.00 56.93 56.51 2zit s PHE 249 Cb -0.12 -0.84 0.11 0.00 -0.57 0.00 0.00 43.02 41.61 2zit s PHE 249 CO -0.05 0.36 0.15 0.12 -0.10 0.00 0.00 175.22 175.71 2zit s PHE 250 N -2.62 2.03 -0.23 0.36 5.36 -1.25 -2.06 117.98 119.56 2zit s PHE 250 Ca 0.20 -2.16 -0.29 0.00 -0.96 0.00 0.00 56.93 53.73 2zit s PHE 250 Cb -0.03 -1.91 -0.03 0.00 -0.34 0.00 0.00 43.02 40.71 2zit s PHE 250 CO 0.07 -0.85 1.81 1.21 -1.46 0.00 0.00 175.22 176.01 2zit s ASN 251 N 1.01 6.07 0.42 6.13 3.84 -1.24 -4.86 114.94 126.31 2zit s ASN 251 Ca 0.13 1.66 0.29 0.00 0.21 0.00 0.00 52.86 55.14 2zit s ASN 251 Cb -0.21 -2.53 1.51 0.00 -0.55 0.00 0.00 41.25 39.48 2zit s ASN 251 CO -0.13 -1.51 1.88 -0.65 -2.79 0.00 0.00 177.10 173.91 2zit h PRO 252 N 12.15 0.00 0.00 0.43 0.11 -1.98 0.19 132.00 142.90 2zit h PRO 252 Ca -0.36 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 2zit h PRO 252 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2zit h PRO 252 CO 1.00 0.00 -0.88 0.87 -0.21 0.00 0.00 178.00 178.78 2zit h LYS 253 N 0.00 0.00 0.00 1.05 1.57 -1.98 -3.38 116.57 113.83 2zit h LYS 253 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2zit h LYS 253 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2zit h LYS 253 CO 0.00 0.55 -0.15 1.79 -0.57 0.00 0.00 179.45 181.07 2zit h THR 254 N -1.00 0.31 -4.08 -0.16 1.35 -1.94 -3.47 112.91 103.91 2zit h THR 254 Ca -0.19 -1.15 -0.40 0.00 -0.55 0.00 0.00 66.41 64.13 2zit h THR 254 Cb 0.93 1.91 0.05 0.00 -1.73 0.00 0.00 68.15 69.30 2zit h THR 254 CO -0.11 0.15 -0.58 0.29 -0.25 0.00 0.00 175.52 175.02 2zit n LYS 255 N -3.20 -4.23 -3.88 4.72 4.76 0.64 -5.00 118.16 111.98 2zit n LYS 255 Ca 0.02 0.90 -0.11 0.00 -2.87 0.00 0.00 58.31 56.25 2zit n LYS 255 Cb 0.49 -5.68 -0.12 0.00 -1.84 0.00 0.00 35.03 27.88 2zit n LYS 255 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2zit s LYS 256 N -5.55 0.20 0.38 1.97 1.02 -1.25 -5.01 119.74 111.50 2zit s LYS 256 Ca 0.24 -0.14 -0.25 0.00 0.02 0.00 0.00 55.97 55.84 2zit s LYS 256 Cb -0.11 0.08 -0.09 0.00 -0.52 0.00 0.00 37.83 37.20 2zit s LYS 256 CO 0.30 -0.04 1.09 -1.58 -0.92 0.00 0.00 175.35 174.20 2zit s TRP 257 N -0.53 3.27 0.07 3.18 0.52 -1.26 -3.66 118.94 120.52 2zit s TRP 257 Ca -0.06 1.63 -0.06 0.00 0.02 0.00 0.00 56.10 57.63 2zit s TRP 257 Cb -0.04 -3.22 -0.01 0.00 -1.15 0.00 0.00 33.47 29.05 2zit s TRP 257 CO 0.00 -0.78 0.12 0.99 0.02 0.00 0.00 176.95 177.30 2zit s THR 258 N -1.51 0.16 -1.48 2.01 2.01 -0.87 -5.00 115.64 110.95 2zit s THR 258 Ca 0.55 -1.28 0.20 0.00 0.31 0.00 0.00 61.69 61.47 2zit s THR 258 Cb -0.26 -1.25 0.64 0.00 0.01 0.00 0.00 72.50 71.64 2zit s THR 258 CO 0.33 -0.71 1.55 0.59 -0.69 0.00 0.00 174.62 175.69 2zit n ASN 259 N 0.21 4.20 -4.63 3.53 3.02 -1.26 -1.76 115.26 118.56 2zit n ASN 259 Ca -0.16 -2.21 -0.35 0.00 -0.03 0.00 0.00 54.58 51.83 2zit n ASN 259 Cb 0.61 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 2zit n ASN 259 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2zit s LYS 260 N -1.40 3.62 -0.01 3.52 1.02 -1.26 -4.89 119.74 120.34 2zit s LYS 260 Ca 0.47 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.08 2zit s LYS 260 Cb 0.28 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 2zit s LYS 260 CO 0.28 0.41 0.82 -0.40 -0.92 0.00 0.00 175.35 175.54 2zit n ASP 261 N 3.06 2.24 -3.67 2.83 5.68 -1.26 -4.75 116.55 120.68 2zit n ASP 261 Ca -0.17 -2.04 -0.09 0.00 -0.50 0.00 0.00 54.79 51.98 2zit n ASP 261 Cb 0.53 -0.51 -0.09 0.00 -1.14 0.00 0.00 41.12 39.91 2zit n ASP 261 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2zit s THR 262 N -0.51 -0.01 0.86 2.12 2.01 -1.26 -3.30 115.64 115.54 2zit s THR 262 Ca 0.02 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.95 2zit s THR 262 Cb 0.02 -0.80 0.10 0.00 0.01 0.00 0.00 72.50 71.83 2zit s THR 262 CO 0.00 0.02 1.09 -0.62 -0.69 0.00 0.00 174.62 174.43 2zit s ASP 263 N 1.39 3.89 0.34 3.53 -1.08 0.17 -4.85 116.67 120.05 2zit s ASP 263 Ca -0.09 1.41 0.11 0.00 -0.52 0.00 0.00 52.55 53.47 2zit s ASP 263 Cb -0.06 -2.11 0.93 0.00 -1.46 0.00 0.00 42.92 40.21 2zit s ASP 263 CO -0.15 -2.37 1.74 0.00 0.52 0.00 0.00 175.17 174.92 2zit h ALA 264 N -1.36 1.88 -0.00 3.66 0.00 -2.00 0.22 119.26 121.65 2zit h ALA 264 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2zit h ALA 264 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2zit h ALA 264 CO 0.56 -0.34 -0.05 0.39 0.00 0.00 0.00 179.25 179.82 2zit n GLU 265 N -4.82 0.80 -0.22 0.00 1.02 -1.26 -4.87 120.64 111.29 2zit n GLU 265 Ca 0.26 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2zit n GLU 265 Cb 0.77 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 2zit n GLU 265 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2zit n GLY 266 N 1.20 1.04 3.74 0.62 0.00 0.76 -5.08 105.19 107.48 2zit n GLY 266 Ca 0.17 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2zit n GLY 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zit s LYS 267 N -0.59 4.32 0.12 1.61 1.02 -1.24 -4.77 119.74 120.22 2zit s LYS 267 Ca 0.00 0.58 -0.31 0.00 0.02 0.00 0.00 55.97 56.26 2zit s LYS 267 Cb 0.00 -3.40 -0.10 0.00 -0.52 0.00 0.00 37.83 33.81 2zit s LYS 267 CO 0.00 0.23 1.69 -2.14 -0.92 0.00 0.00 175.35 174.21 2zit s PRO 268 N 0.35 4.18 -0.03 -1.68 0.02 -1.26 0.42 135.00 137.00 2zit s PRO 268 Ca 0.29 2.45 -0.03 0.00 0.02 0.00 0.00 61.00 63.72 2zit s PRO 268 Cb -0.16 -3.43 -0.04 0.00 0.02 0.00 0.00 34.50 30.89 2zit s PRO 268 CO 0.13 -0.74 0.16 -0.51 -0.33 0.00 0.00 177.00 175.71 2zit s LEU 269 N 2.15 4.28 0.18 -5.54 1.43 -1.21 -4.88 118.68 115.09 2zit s LEU 269 Ca 0.75 0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.91 2zit s LEU 269 Cb -0.44 -2.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.26 2zit s LEU 269 CO 0.33 0.29 0.85 -0.70 0.23 0.00 0.00 176.35 177.36 2zit s GLU 270 N -1.72 4.68 0.79 1.70 2.12 -1.26 -4.86 118.70 120.15 2zit s GLU 270 Ca 0.24 1.30 -0.13 0.00 0.36 0.00 0.00 54.97 56.74 2zit s GLU 270 Cb -0.12 -3.29 0.07 0.00 0.26 0.00 0.00 34.13 31.05 2zit s GLU 270 CO 0.15 0.50 1.16 0.50 -0.54 0.00 0.00 175.26 177.03 2zit s ARG 271 N -0.98 1.83 0.48 4.30 3.52 -1.26 -3.90 118.95 122.95 2zit s ARG 271 Ca 0.39 1.57 0.19 0.00 -0.13 0.00 0.00 55.73 57.75 2zit s ARG 271 Cb -0.24 -1.82 1.21 0.00 -1.56 0.00 0.00 34.95 32.54 2zit s ARG 271 CO 0.28 -2.03 2.05 0.00 -0.81 0.00 0.00 175.30 174.79 2zit h ALA 272 N -0.93 1.60 0.12 6.12 0.00 -0.49 -0.56 119.26 125.12 2zit h ALA 272 Ca -0.45 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 2zit h ALA 272 Cb 1.27 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.06 2zit h ALA 272 CO 0.48 0.17 -0.76 0.35 0.00 0.00 0.00 179.25 179.49 2zit h PHE 273 N 0.00 0.54 0.00 0.00 3.57 -1.64 -2.38 116.94 117.04 2zit h PHE 273 Ca -0.00 -0.38 -0.07 0.00 3.53 0.00 0.00 57.97 61.05 2zit h PHE 273 Cb 0.27 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2zit h PHE 273 CO 0.00 1.27 -0.34 -0.91 -2.23 0.00 0.00 178.31 176.11 2zit h ASN 274 N -0.35 0.00 0.34 0.41 4.21 -1.80 0.02 115.58 118.42 2zit h ASN 274 Ca -0.13 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.11 2zit h ASN 274 Cb 1.57 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.72 2zit h ASN 274 CO 0.14 0.34 -1.89 0.80 -1.29 0.00 0.00 177.43 175.53 2zit n MET 275 N -3.90 0.65 -0.08 0.81 1.56 -0.24 -1.91 117.12 114.01 2zit n MET 275 Ca -0.02 0.15 -0.08 0.00 -0.27 0.00 0.00 57.70 57.48 2zit n MET 275 Cb 0.40 -1.69 -0.11 0.00 2.15 0.00 0.00 33.22 33.97 2zit n MET 275 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 2zit n PHE 276 N -2.86 0.00 -0.06 1.12 3.72 -0.89 -4.51 117.46 113.98 2zit n PHE 276 Ca -0.20 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.10 2zit n PHE 276 Cb 1.01 -0.73 -0.04 0.00 -0.94 0.00 0.00 39.48 38.78 2zit n PHE 276 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2zit n ILE 277 N -2.62 1.32 -0.04 4.37 2.08 -0.13 -4.53 119.36 119.81 2zit n ILE 277 Ca -0.25 0.08 -0.09 0.00 0.56 0.00 0.00 62.75 63.05 2zit n ILE 277 Cb 0.96 -2.02 0.07 0.00 -0.75 0.00 0.00 39.64 37.90 2zit n ILE 277 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2zit h LEU 278 N -0.70 0.70 0.27 1.39 3.38 -1.37 -3.25 115.31 115.73 2zit h LEU 278 Ca -0.14 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2zit h LEU 278 Cb 0.91 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2zit h LEU 278 CO -0.09 1.03 -0.24 -0.78 0.09 0.00 0.00 178.44 178.45 2zit h ASP 279 N 0.54 -0.64 -0.30 -0.43 3.58 -1.60 0.02 116.42 117.59 2zit h ASP 279 Ca 0.04 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.56 2zit h ASP 279 Cb 0.94 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2zit h ASP 279 CO 0.09 -0.36 0.16 -0.65 -2.88 0.00 0.00 179.24 175.60 2zit h PRO 280 N -0.53 0.33 -0.03 0.28 0.11 -1.80 -1.66 132.00 128.70 2zit h PRO 280 Ca -0.01 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 2zit h PRO 280 Cb 0.48 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2zit h PRO 280 CO -0.04 0.22 -0.24 0.82 -0.21 0.00 0.00 178.00 178.55 2zit h ILE 281 N 0.34 1.19 -0.13 4.15 2.04 -1.57 -2.86 117.51 120.65 2zit h ILE 281 Ca 0.12 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 2zit h ILE 281 Cb 0.01 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2zit h ILE 281 CO -0.07 0.26 -0.04 -0.26 0.00 0.00 0.00 178.15 178.04 2zit h PHE 282 N 0.04 0.29 0.00 1.37 -1.00 -0.40 -3.03 116.94 114.22 2zit h PHE 282 Ca 0.01 -0.06 -0.05 0.00 2.81 0.00 0.00 57.97 60.67 2zit h PHE 282 Cb 0.45 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 2zit h PHE 282 CO 0.00 0.56 -0.25 0.00 -1.61 0.00 0.00 178.31 177.01 2zit h ARG 283 N -0.05 0.00 -0.37 1.51 2.47 -1.12 0.56 114.38 117.37 2zit h ARG 283 Ca 0.03 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.62 2zit h ARG 283 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2zit h ARG 283 CO 0.01 0.25 -0.31 -0.07 0.56 0.00 0.00 179.97 180.41 2zit h LEU 284 N 0.00 0.86 -0.83 3.04 3.38 -1.53 0.16 115.31 120.38 2zit h LEU 284 Ca -0.00 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 2zit h LEU 284 Cb 0.45 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2zit h LEU 284 CO 0.03 1.10 -0.54 -0.26 0.09 0.00 0.00 178.44 178.86 2zit h PHE 285 N 0.69 0.14 0.00 1.13 0.05 -1.21 -1.41 116.94 116.33 2zit h PHE 285 Ca 0.08 -0.05 -0.15 0.00 3.82 0.00 0.00 57.97 61.67 2zit h PHE 285 Cb 0.86 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 38.76 2zit h PHE 285 CO 0.05 0.63 -0.71 1.15 -0.18 0.00 0.00 178.31 179.25 2zit h THR 286 N 0.09 1.24 0.04 -1.55 2.02 -0.60 -2.86 112.91 111.28 2zit h THR 286 Ca -0.00 -2.71 -0.32 0.00 0.77 0.00 0.00 66.41 64.14 2zit h THR 286 Cb 0.99 2.59 -0.04 0.00 -1.74 0.00 0.00 68.15 69.95 2zit h THR 286 CO 0.08 0.70 -1.87 0.00 0.37 0.00 0.00 175.52 174.79 2zit n ALA 287 N -2.28 1.31 0.11 6.16 0.00 0.52 -3.83 120.51 122.50 2zit n ALA 287 Ca 0.01 -0.77 -0.23 0.00 0.00 0.00 0.00 53.44 52.45 2zit n ALA 287 Cb 0.81 -0.72 -0.15 0.00 0.00 0.00 0.00 19.45 19.39 2zit n ALA 287 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2zit h ILE 288 N 0.02 1.13 -0.39 0.00 2.04 -1.37 -2.47 117.51 116.48 2zit h ILE 288 Ca -0.36 -2.65 -0.13 0.00 1.00 0.00 0.00 64.86 62.73 2zit h ILE 288 Cb 2.04 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 41.01 2zit h ILE 288 CO 0.07 0.84 -0.25 0.24 0.00 0.00 0.00 178.15 179.05 2zit h MET 289 N 0.12 0.85 -0.02 2.37 2.86 -1.71 -2.97 114.93 116.44 2zit h MET 289 Ca -0.29 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 56.95 2zit h MET 289 Cb 2.12 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.77 2zit h MET 289 CO 0.22 1.04 0.00 0.09 1.06 0.00 0.00 176.91 179.32 2zit n ASN 290 N -4.20 0.09 -2.36 1.22 4.13 -1.25 -4.77 115.26 108.12 2zit n ASN 290 Ca -0.02 -1.90 -0.16 0.00 1.68 0.00 0.00 54.58 54.18 2zit n ASN 290 Cb 0.46 -0.01 -0.01 0.00 -1.54 0.00 0.00 39.78 38.68 2zit n ASN 290 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2zit n PHE 291 N -0.50 -1.16 -2.30 3.10 3.72 -1.12 -4.86 117.46 114.34 2zit n PHE 291 Ca 0.03 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.09 2zit n PHE 291 Cb 0.03 -3.32 -0.04 0.00 -0.94 0.00 0.00 39.48 35.20 2zit n PHE 291 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2zit s LYS 292 N -4.94 3.08 0.21 -1.08 1.02 -0.93 -4.80 119.74 112.29 2zit s LYS 292 Ca 0.00 -0.81 0.22 0.00 0.02 0.00 0.00 55.97 55.40 2zit s LYS 292 Cb 0.00 -5.23 0.91 0.00 -0.52 0.00 0.00 37.83 32.98 2zit s LYS 292 CO 0.00 -2.86 1.66 1.63 -0.92 0.00 0.00 175.35 174.86 2zit n LYS 293 N 8.80 0.15 0.19 1.68 5.02 -1.26 -2.24 118.16 130.49 2zit n LYS 293 Ca 0.38 0.39 0.12 0.00 -2.02 0.00 0.00 58.31 57.18 2zit n LYS 293 Cb 0.49 -1.80 0.12 0.00 -0.02 0.00 0.00 35.03 33.82 2zit n LYS 293 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2zit h ASP 294 N 0.00 0.00 0.00 4.39 3.32 -1.95 -3.38 116.42 118.80 2zit h ASP 294 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 2zit h ASP 294 Cb 0.34 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 2zit h ASP 294 CO 0.00 0.01 -2.42 -0.62 -1.72 0.00 0.00 179.24 174.48 2zit n GLU 295 N -2.98 0.60 -0.30 3.56 1.02 -0.95 -4.53 120.64 117.06 2zit n GLU 295 Ca 0.03 0.17 -0.03 0.00 -0.02 0.00 0.00 57.16 57.31 2zit n GLU 295 Cb 0.54 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.50 2zit n GLU 295 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2zit h ILE 296 N -0.29 0.08 0.66 -3.67 2.04 -1.67 0.43 117.51 115.09 2zit h ILE 296 Ca -0.59 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2zit h ILE 296 Cb 1.77 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2zit h ILE 296 CO -0.18 0.00 -0.39 1.55 0.00 0.00 0.00 178.15 179.13 2zit h PRO 297 N -0.08 -0.95 -0.31 2.37 0.13 -1.83 0.17 132.00 131.49 2zit h PRO 297 Ca 0.28 0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.51 2zit h PRO 297 Cb 0.57 0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 2zit h PRO 297 CO -0.84 -0.63 0.21 0.28 -0.23 0.00 0.00 178.00 176.79 2zit h VAL 298 N -0.98 1.02 -0.06 1.56 2.07 -1.63 -1.69 116.25 116.54 2zit h VAL 298 Ca -0.08 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 2zit h VAL 298 Cb 0.79 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2zit h VAL 298 CO 0.09 0.06 -0.77 0.25 0.02 0.00 0.00 177.57 177.22 2zit h LEU 299 N 0.32 0.45 -0.54 2.57 5.85 0.11 -3.09 115.31 120.98 2zit h LEU 299 Ca 0.13 -0.31 -0.16 0.00 0.84 0.00 0.00 57.88 58.37 2zit h LEU 299 Cb 0.12 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2zit h LEU 299 CO -0.03 1.06 -0.67 -0.07 -0.34 0.00 0.00 178.44 178.40 2zit h LEU 300 N 0.25 0.32 -0.18 2.25 4.07 -0.10 -3.27 115.31 118.65 2zit h LEU 300 Ca -0.04 -0.20 -0.08 0.00 0.08 0.00 0.00 57.88 57.64 2zit h LEU 300 Cb 1.36 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 43.00 2zit h LEU 300 CO 0.13 0.90 -0.19 -0.08 -1.08 0.00 0.00 178.44 178.12 2zit h GLU 301 N 0.19 0.45 -0.01 1.13 4.81 -1.36 0.27 114.58 120.05 2zit h GLU 301 Ca -0.02 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2zit h GLU 301 Cb 1.21 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 2zit h GLU 301 CO 0.11 0.81 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.90 2zit h LYS 302 N 0.10 0.02 -0.29 1.92 3.64 -1.63 -1.55 116.57 118.78 2zit h LYS 302 Ca 0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2zit h LYS 302 Cb 0.73 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2zit h LYS 302 CO 0.05 0.10 0.00 1.28 -2.27 0.00 0.00 179.45 178.61 2zit n LEU 303 N -4.43 2.57 -2.92 5.20 4.77 -1.20 -4.95 117.00 116.03 2zit n LEU 303 Ca -0.03 -1.10 -0.13 0.00 -0.03 0.00 0.00 56.01 54.72 2zit n LEU 303 Cb 0.16 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 2zit n LEU 303 CO 0.35 0.55 0.07 1.21 -1.33 0.00 0.00 177.39 178.24 2zit n GLU 304 N 0.92 -4.15 -3.96 3.23 2.13 -0.58 -5.01 120.64 113.21 2zit n GLU 304 Ca 0.18 0.68 -0.31 0.00 0.66 0.00 0.00 57.16 58.37 2zit n GLU 304 Cb 0.47 -5.11 -0.15 0.00 0.27 0.00 0.00 31.44 26.91 2zit n GLU 304 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2zit s ILE 305 N -3.29 2.07 -0.24 6.31 1.01 0.91 -4.94 121.20 123.02 2zit s ILE 305 Ca 0.12 -2.30 -0.13 0.00 0.00 0.00 0.00 60.65 58.34 2zit s ILE 305 Cb -0.02 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2zit s ILE 305 CO 0.58 -0.64 0.28 0.68 0.00 0.00 0.00 174.94 175.85 2zit s VAL 306 N 0.89 5.27 0.46 2.92 -7.23 -1.26 -4.46 120.40 116.98 2zit s VAL 306 Ca 0.12 0.43 -0.15 0.00 -1.81 0.00 0.00 61.98 60.56 2zit s VAL 306 Cb -0.20 -3.62 -0.08 0.00 0.56 0.00 0.00 36.38 33.05 2zit s VAL 306 CO -0.10 0.27 0.90 -0.76 -0.31 0.00 0.00 175.10 175.10 2zit s LEU 307 N 1.41 3.76 -0.64 1.32 1.43 -1.26 -4.98 118.68 119.71 2zit s LEU 307 Ca 0.13 1.45 -0.04 0.00 -1.03 0.00 0.00 54.13 54.64 2zit s LEU 307 Cb -0.15 -4.35 0.12 0.00 0.03 0.00 0.00 46.19 41.85 2zit s LEU 307 CO 0.07 -0.47 2.57 0.29 0.23 0.00 0.00 176.35 179.04 2zit n LYS 308 N -1.27 2.84 0.00 1.70 4.76 -1.26 -4.93 118.16 119.99 2zit n LYS 308 Ca 0.05 -2.76 0.00 0.00 -2.87 0.00 0.00 58.31 52.73 2zit n LYS 308 Cb 0.54 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.49 2zit n LYS 308 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2zit n GLY 309 N 0.71 1.38 0.34 0.72 0.00 -1.26 -4.00 105.19 103.09 2zit n GLY 309 Ca 0.51 0.25 0.18 0.00 0.00 0.00 0.00 46.02 46.96 2zit n GLY 309 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2zit h ASP 310 N 0.00 0.00 -0.24 1.61 -0.00 -2.04 0.35 116.42 116.10 2zit h ASP 310 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2zit h ASP 310 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2zit h ASP 310 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 179.24 178.62 2zit n GLU 311 N -3.66 1.60 -0.04 0.28 1.02 -1.26 -3.91 120.64 114.69 2zit n GLU 311 Ca 0.01 -0.93 -0.18 0.00 -0.02 0.00 0.00 57.16 56.04 2zit n GLU 311 Cb 0.34 -1.25 -0.13 0.00 -0.02 0.00 0.00 31.44 30.38 2zit n GLU 311 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2zit h LYS 312 N 1.59 0.11 0.00 3.49 1.79 -1.26 -3.34 116.57 118.96 2zit h LYS 312 Ca 0.00 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2zit h LYS 312 Cb 0.36 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2zit h LYS 312 CO 0.00 1.09 0.00 -0.40 -1.08 0.00 0.00 179.45 179.06 2zit n ASP 313 N -4.35 0.00 -4.75 0.86 5.68 -1.25 -4.81 116.55 107.92 2zit n ASP 313 Ca -0.17 0.20 -0.41 0.00 -0.50 0.00 0.00 54.79 53.91 2zit n ASP 313 Cb 0.66 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 40.25 2zit n ASP 313 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2zit s LEU 314 N -2.75 4.39 0.26 -2.12 1.43 -1.25 -5.03 118.68 113.61 2zit s LEU 314 Ca 0.15 2.67 0.01 0.00 -1.03 0.00 0.00 54.13 55.94 2zit s LEU 314 Cb 0.13 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 2zit s LEU 314 CO 0.33 -0.66 0.09 -1.61 0.23 0.00 0.00 176.35 174.73 2zit s GLU 315 N -0.73 1.40 3.56 1.70 2.02 -1.26 -4.47 118.70 120.92 2zit s GLU 315 Ca 0.57 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.80 2zit s GLU 315 Cb -0.41 -0.28 0.00 0.00 0.10 0.00 0.00 34.13 33.53 2zit s GLU 315 CO 0.46 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.87 2zit n GLY 316 N -0.46 0.69 0.32 -1.39 0.00 -1.25 -2.61 105.19 100.50 2zit n GLY 316 Ca -0.00 -0.75 0.21 0.00 0.00 0.00 0.00 46.02 45.47 2zit n GLY 316 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2zit h LYS 317 N 0.00 0.00 -0.05 1.61 1.57 -1.94 -0.84 116.57 116.93 2zit h LYS 317 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2zit h LYS 317 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2zit h LYS 317 CO 0.00 0.00 -0.46 0.00 -0.57 0.00 0.00 179.45 178.42 2zit h ALA 318 N 1.96 1.14 0.14 3.86 0.00 -1.89 -2.70 119.26 121.77 2zit h ALA 318 Ca 0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 54.91 54.15 2zit h ALA 318 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2zit h ALA 318 CO 0.00 0.61 -1.66 1.25 0.00 0.00 0.00 179.25 179.45 2zit h LEU 319 N 0.09 0.45 -0.81 0.00 5.85 -1.12 -3.34 115.31 116.43 2zit h LEU 319 Ca 0.00 -0.89 -0.02 0.00 0.84 0.00 0.00 57.88 57.81 2zit h LEU 319 Cb 0.86 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2zit h LEU 319 CO 0.07 1.73 0.43 0.25 -0.34 0.00 0.00 178.44 180.58 2zit h LEU 320 N -0.12 1.02 -1.97 2.25 5.85 -1.53 -0.95 115.31 119.87 2zit h LEU 320 Ca -0.35 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2zit h LEU 320 Cb 1.91 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 2zit h LEU 320 CO 0.09 0.84 -0.09 0.11 -0.34 0.00 0.00 178.44 179.05 2zit h LYS 321 N 1.13 0.00 0.12 1.25 1.57 -1.65 -1.93 116.57 117.06 2zit h LYS 321 Ca 0.28 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.75 2zit h LYS 321 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2zit h LYS 321 CO -0.04 0.09 -1.62 0.28 -0.57 0.00 0.00 179.45 177.58 2zit h VAL 322 N 0.00 0.88 -0.08 0.50 2.07 -1.48 -3.26 116.25 114.88 2zit h VAL 322 Ca -0.00 -2.38 -0.06 0.00 0.82 0.00 0.00 66.70 65.08 2zit h VAL 322 Cb 0.33 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2zit h VAL 322 CO 0.01 0.75 -0.22 0.58 0.02 0.00 0.00 177.57 178.71 2zit h VAL 323 N -0.20 1.20 0.00 2.57 2.07 -1.06 -2.75 116.25 118.08 2zit h VAL 323 Ca -0.35 -0.93 -0.15 0.00 0.82 0.00 0.00 66.70 66.08 2zit h VAL 323 Cb 1.85 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 2zit h VAL 323 CO 0.06 0.28 -0.72 0.24 0.02 0.00 0.00 177.57 177.45 2zit h MET 324 N 0.13 0.00 -0.19 1.57 2.07 -1.50 -2.26 114.93 114.75 2zit h MET 324 Ca 0.02 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.64 2zit h MET 324 Cb 0.47 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.19 2zit h MET 324 CO 0.03 0.72 0.06 0.00 1.07 0.00 0.00 176.91 178.79 2zit h ARG 325 N 0.00 0.30 0.00 1.72 3.08 -1.53 -1.44 114.38 116.51 2zit h ARG 325 Ca -0.01 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 59.77 2zit h ARG 325 Cb 1.32 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 2zit h ARG 325 CO 0.09 0.40 -0.98 0.87 -1.07 0.00 0.00 179.97 179.28 2zit h LYS 326 N 0.14 0.01 0.34 0.04 1.57 -1.62 -2.74 116.57 114.30 2zit h LYS 326 Ca 0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2zit h LYS 326 Cb 0.22 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2zit h LYS 326 CO -0.00 0.98 -0.16 0.35 -0.57 0.00 0.00 179.45 180.05 2zit h PHE 327 N 0.00 -0.42 -2.44 -1.35 3.57 -1.37 -3.41 116.94 111.52 2zit h PHE 327 Ca -0.01 -0.01 -0.58 0.00 3.53 0.00 0.00 57.97 60.90 2zit h PHE 327 Cb 1.73 0.14 -0.38 0.00 2.79 0.00 0.00 35.95 40.23 2zit h PHE 327 CO 0.00 -0.09 -0.92 -0.51 -2.23 0.00 0.00 178.31 174.56 2zit s LEU 328 N -9.50 1.18 -0.21 0.59 1.43 -0.55 -5.09 118.68 106.53 2zit s LEU 328 Ca -0.14 -2.67 -0.33 0.00 -1.03 0.00 0.00 54.13 49.96 2zit s LEU 328 Cb 0.02 -0.39 -0.10 0.00 0.03 0.00 0.00 46.19 45.76 2zit s LEU 328 CO 0.53 -0.23 2.08 -2.65 0.23 0.00 0.00 176.35 176.31 2zit n PRO 329 N 3.36 1.78 -0.34 1.29 -0.02 -1.03 -2.33 135.00 137.71 2zit n PRO 329 Ca 0.22 0.57 0.04 0.00 -2.02 0.00 0.00 63.50 62.31 2zit n PRO 329 Cb 0.43 -2.76 0.21 0.00 -0.02 0.00 0.00 33.50 31.37 2zit n PRO 329 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2zit h ALA 330 N 11.93 1.47 -0.64 3.55 0.00 -1.70 -2.59 119.26 131.28 2zit h ALA 330 Ca -0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2zit h ALA 330 Cb 1.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2zit h ALA 330 CO 0.97 0.38 0.36 0.00 0.00 0.00 0.00 179.25 180.96 2zit h ALA 331 N 1.49 1.43 -0.17 0.00 0.00 -1.85 -2.09 119.26 118.07 2zit h ALA 331 Ca 0.42 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 2zit h ALA 331 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2zit h ALA 331 CO -0.17 0.48 -0.42 -0.44 0.00 0.00 0.00 179.25 178.70 2zit h ASP 332 N 0.89 0.66 0.15 0.00 5.19 -1.82 -0.65 116.42 120.83 2zit h ASP 332 Ca 0.23 -0.58 -0.02 0.00 -0.62 0.00 0.00 57.03 56.04 2zit h ASP 332 Cb 0.00 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.32 2zit h ASP 332 CO -0.04 1.11 -0.10 0.00 -3.12 0.00 0.00 179.24 177.10 2zit h ALA 333 N 0.56 1.63 0.00 3.45 0.00 -1.45 0.12 119.26 123.57 2zit h ALA 333 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2zit h ALA 333 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2zit h ALA 333 CO 0.09 0.12 -0.42 -0.07 0.00 0.00 0.00 179.25 178.97 2zit h LEU 334 N 0.00 0.00 0.00 0.00 3.38 -1.14 -3.22 115.31 114.33 2zit h LEU 334 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2zit h LEU 334 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2zit h LEU 334 CO 0.01 0.06 -1.03 0.18 0.09 0.00 0.00 178.44 177.75 2zit n LEU 335 N -2.29 0.63 0.07 1.67 4.77 -0.27 -4.32 117.00 117.26 2zit n LEU 335 Ca 0.04 -0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 55.88 2zit n LEU 335 Cb 0.45 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2zit n LEU 335 CO 0.35 0.09 0.18 -0.08 -1.33 0.00 0.00 177.39 176.59 2zit h GLU 336 N 0.00 -0.21 -0.95 3.23 4.81 -0.84 -3.30 114.58 117.31 2zit h GLU 336 Ca 0.00 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 2zit h GLU 336 Cb 0.68 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.01 2zit h GLU 336 CO 0.00 -0.14 0.56 0.52 -0.73 0.00 0.00 179.01 179.21 2zit h MET 337 N -0.53 0.73 -0.14 1.92 2.86 -1.80 -2.05 114.93 115.91 2zit h MET 337 Ca -0.02 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2zit h MET 337 Cb 0.17 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2zit h MET 337 CO 0.04 0.48 -0.30 0.82 1.06 0.00 0.00 176.91 179.01 2zit h ILE 338 N 0.75 0.00 -0.19 -1.22 1.08 -1.75 0.13 117.51 116.31 2zit h ILE 338 Ca 0.53 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.99 2zit h ILE 338 Cb 0.76 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 2zit h ILE 338 CO -0.36 0.00 0.08 0.58 -0.69 0.00 0.00 178.15 177.76 2zit h VAL 339 N -0.27 1.15 -0.87 1.67 2.07 -1.58 -1.65 116.25 116.76 2zit h VAL 339 Ca 0.03 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2zit h VAL 339 Cb 0.35 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2zit h VAL 339 CO -0.28 0.15 0.57 -0.07 0.02 0.00 0.00 177.57 177.95 2zit h LEU 340 N 0.15 1.02 0.00 2.57 3.38 -1.11 -3.40 115.31 117.92 2zit h LEU 340 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2zit h LEU 340 Cb 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2zit h LEU 340 CO -0.01 0.75 -0.27 1.41 0.09 0.00 0.00 178.44 180.41 2zit n HIS 341 N -4.39 0.00 -1.57 1.13 8.25 0.42 -4.66 115.22 114.40 2zit n HIS 341 Ca 0.10 0.00 -0.59 0.00 -0.26 0.00 0.00 57.72 56.97 2zit n HIS 341 Cb 0.03 -0.14 -0.08 0.00 1.12 0.00 0.00 29.99 30.93 2zit n HIS 341 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2zit n LEU 342 N -3.51 0.68 -4.49 2.41 4.77 -0.62 -4.92 117.00 111.31 2zit n LEU 342 Ca -0.04 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.79 2zit n LEU 342 Cb 0.14 -0.99 0.25 0.00 -2.33 0.00 0.00 43.42 40.49 2zit n LEU 342 CO 0.06 -1.48 0.54 -2.16 -1.33 0.00 0.00 177.39 173.02 2zit s PRO 343 N 0.72 -1.56 0.36 3.23 0.04 -1.26 -4.78 135.00 131.75 2zit s PRO 343 Ca 0.92 0.18 0.08 0.00 0.04 0.00 0.00 61.00 62.22 2zit s PRO 343 Cb -1.22 -1.53 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 2zit s PRO 343 CO 0.59 -3.99 0.08 -1.54 0.04 0.00 0.00 177.00 172.18 2zit s SER 344 N -3.41 4.33 0.65 6.66 1.04 -1.26 -4.53 113.70 117.17 2zit s SER 344 Ca 0.69 -0.98 0.31 0.00 0.48 0.00 0.00 55.95 56.45 2zit s SER 344 Cb -0.14 -0.56 1.70 0.00 0.10 0.00 0.00 66.02 67.12 2zit s SER 344 CO 0.58 -0.33 1.99 -0.65 0.98 0.00 0.00 173.24 175.81 2zit h PRO 345 N 1.66 0.00 -0.01 4.02 0.11 -1.74 0.20 132.00 136.24 2zit h PRO 345 Ca -0.43 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.48 2zit h PRO 345 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2zit h PRO 345 CO 0.67 0.00 -0.85 0.28 -0.21 0.00 0.00 178.00 177.89 2zit h VAL 346 N 0.00 1.45 0.04 3.15 2.07 -1.92 -3.16 116.25 117.88 2zit h VAL 346 Ca 0.04 -2.48 -0.00 0.00 0.82 0.00 0.00 66.70 65.08 2zit h VAL 346 Cb 0.65 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2zit h VAL 346 CO -0.00 0.73 -0.02 0.74 0.02 0.00 0.00 177.57 179.04 2zit h THR 347 N 0.16 0.27 0.14 2.57 2.02 -1.02 -3.33 112.91 113.72 2zit h THR 347 Ca -0.05 -1.15 0.02 0.00 0.77 0.00 0.00 66.41 66.00 2zit h THR 347 Cb 1.47 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 2zit h THR 347 CO 0.14 0.09 -0.38 0.00 0.37 0.00 0.00 175.52 175.73 2zit h ALA 348 N -0.85 -0.68 0.00 6.16 0.00 -1.52 -1.73 119.26 120.63 2zit h ALA 348 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2zit h ALA 348 Cb 0.19 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2zit h ALA 348 CO 0.01 -0.95 0.08 1.96 0.00 0.00 0.00 179.25 180.36 2zit h GLN 349 N -0.63 0.00 -0.01 0.00 4.20 -1.75 0.35 115.11 117.28 2zit h GLN 349 Ca 0.02 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.58 2zit h GLN 349 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 2zit h GLN 349 CO -0.21 0.00 -0.70 0.00 -0.67 0.00 0.00 178.83 177.24 2zit h ALA 350 N 1.79 0.82 -0.00 3.87 0.00 -1.39 -3.02 119.26 121.32 2zit h ALA 350 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2zit h ALA 350 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2zit h ALA 350 CO 0.00 0.86 -0.02 2.48 0.00 0.00 0.00 179.25 182.57 2zit n TYR 351 N -3.72 0.00 0.06 0.00 0.18 -0.02 -4.65 117.16 109.00 2zit n TYR 351 Ca -0.01 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.80 2zit n TYR 351 Cb 0.69 0.00 0.07 0.00 -0.38 0.00 0.00 39.34 39.72 2zit n TYR 351 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 2zit n ARG 352 N -0.44 1.71 -0.00 -3.48 0.63 0.10 -4.66 116.66 110.52 2zit n ARG 352 Ca 0.00 -1.48 -0.12 0.00 -0.92 0.00 0.00 57.85 55.33 2zit n ARG 352 Cb 0.02 -1.16 -0.10 0.00 0.45 0.00 0.00 32.46 31.68 2zit n ARG 352 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2zit h ALA 353 N 1.36 -0.07 -0.77 5.13 0.00 -1.73 -3.00 119.26 120.18 2zit h ALA 353 Ca 0.00 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.71 2zit h ALA 353 Cb 0.51 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2zit h ALA 353 CO 0.00 -0.22 0.51 1.05 0.00 0.00 0.00 179.25 180.59 2zit h GLU 354 N -0.72 0.69 0.00 0.00 4.11 -1.87 0.11 114.58 116.90 2zit h GLU 354 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2zit h GLU 354 Cb 0.61 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2zit h GLU 354 CO 0.01 0.46 0.00 0.37 0.07 0.00 0.00 179.01 179.92 2zit h GLN 355 N 0.71 0.00 -0.30 1.06 4.15 -1.85 -3.19 115.11 115.69 2zit h GLN 355 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.77 2zit h GLN 355 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2zit h GLN 355 CO -0.13 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 178.05 2zit n LEU 356 N -2.64 3.06 -3.89 -2.39 4.77 -0.03 -4.85 117.00 111.03 2zit n LEU 356 Ca 0.03 -2.23 -0.27 0.00 -0.03 0.00 0.00 56.01 53.52 2zit n LEU 356 Cb 0.37 -0.28 -0.17 0.00 -2.33 0.00 0.00 43.42 41.00 2zit n LEU 356 CO 0.27 0.70 -0.43 -0.47 -1.33 0.00 0.00 177.39 176.14 2zit s TYR 357 N -1.41 1.43 -0.26 -1.77 5.04 -0.83 -3.32 117.35 116.23 2zit s TYR 357 Ca 0.26 -0.75 -0.01 0.00 -2.44 0.00 0.00 57.07 54.13 2zit s TYR 357 Cb 0.16 -1.20 0.14 0.00 0.35 0.00 0.00 41.96 41.41 2zit s TYR 357 CO 0.13 -0.52 2.14 0.39 -1.34 0.00 0.00 175.55 176.35 2zit n GLU 358 N 4.95 1.71 -1.49 4.97 1.02 -1.21 -4.84 120.64 125.76 2zit n GLU 358 Ca -0.12 -1.32 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 2zit n GLU 358 Cb 0.50 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2zit n GLU 358 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2zit n GLY 359 N 0.69 4.44 3.67 0.62 0.00 -1.26 -4.71 105.19 108.64 2zit n GLY 359 Ca 0.27 -1.68 -0.46 0.00 0.00 0.00 0.00 46.02 44.15 2zit n GLY 359 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2zit n PRO 360 N 0.00 2.12 0.07 1.61 -0.02 -1.26 -4.85 135.00 132.68 2zit n PRO 360 Ca 0.00 0.76 0.08 0.00 -2.02 0.00 0.00 63.50 62.32 2zit n PRO 360 Cb 0.00 -2.50 0.36 0.00 -0.02 0.00 0.00 33.50 31.34 2zit n PRO 360 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2zit n ALA 361 N 2.92 1.40 -0.11 3.55 0.00 -1.26 -1.37 120.51 125.63 2zit n ALA 361 Ca 0.15 0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.68 2zit n ALA 361 Cb 0.30 -1.25 0.09 0.00 0.00 0.00 0.00 19.45 18.58 2zit n ALA 361 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2zit n ASP 362 N -1.88 2.53 -4.72 0.00 5.68 -1.26 -4.70 116.55 112.20 2zit n ASP 362 Ca 0.01 -2.02 -0.38 0.00 -0.50 0.00 0.00 54.79 51.91 2zit n ASP 362 Cb 0.12 -0.13 0.06 0.00 -1.14 0.00 0.00 41.12 40.03 2zit n ASP 362 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2zit n ASP 363 N 0.05 2.11 0.23 -1.12 2.03 -0.47 -4.82 116.55 114.55 2zit n ASP 363 Ca 0.07 0.88 0.18 0.00 0.52 0.00 0.00 54.79 56.44 2zit n ASP 363 Cb 0.35 -1.54 0.86 0.00 -0.72 0.00 0.00 41.12 40.07 2zit n ASP 363 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2zit h ALA 364 N 0.87 1.67 0.07 -1.67 0.00 -1.96 -2.33 119.26 115.91 2zit h ALA 364 Ca -0.50 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.13 2zit h ALA 364 Cb 1.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2zit h ALA 364 CO 0.54 -0.33 -1.41 -0.91 0.00 0.00 0.00 179.25 177.14 2zit h ASN 365 N 0.00 0.24 -0.51 0.00 4.21 -1.93 -3.21 115.58 114.38 2zit h ASN 365 Ca 0.08 -0.77 0.04 0.00 1.21 0.00 0.00 56.30 56.87 2zit h ASN 365 Cb 0.57 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.66 2zit h ASN 365 CO -0.00 1.59 0.34 0.00 -1.29 0.00 0.00 177.43 178.07 2zit h ILE 367 N 0.51 1.27 0.00 0.00 2.04 -1.59 -1.96 117.51 117.79 2zit h ILE 367 Ca 0.21 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.73 2zit h ILE 367 Cb 0.19 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2zit h ILE 367 CO -0.06 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.55 2zit n ALA 368 N -2.51 1.52 -0.04 1.87 0.00 0.12 -1.77 120.51 119.70 2zit n ALA 368 Ca 0.00 0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 2zit n ALA 368 Cb 0.44 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 2zit n ALA 368 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2zit h ILE 369 N 0.00 1.12 -0.85 0.00 1.08 -0.53 -1.54 117.51 116.79 2zit h ILE 369 Ca 0.00 -2.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 2zit h ILE 369 Cb 0.25 2.68 -0.04 0.00 -3.07 0.00 0.00 36.82 36.63 2zit h ILE 369 CO 0.00 0.57 0.54 0.11 -0.69 0.00 0.00 178.15 178.68 2zit h LYS 370 N -0.63 1.13 0.00 2.37 1.57 -1.20 -1.90 116.57 117.91 2zit h LYS 370 Ca -0.27 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2zit h LYS 370 Cb 1.49 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2zit h LYS 370 CO -0.03 0.76 0.00 0.09 -0.57 0.00 0.00 179.45 179.70 2zit n ASN 371 N -4.47 0.43 -3.07 0.86 5.03 -0.73 -3.71 115.26 109.60 2zit n ASN 371 Ca 0.09 0.55 -0.21 0.00 0.87 0.00 0.00 54.58 55.88 2zit n ASN 371 Cb 0.03 -0.66 0.01 0.00 -1.02 0.00 0.00 39.78 38.14 2zit n ASN 371 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2zit s ASP 373 N -2.57 5.97 -0.06 0.00 2.15 -0.61 -4.72 116.67 116.83 2zit s ASP 373 Ca 0.29 1.71 0.01 0.00 0.43 0.00 0.00 52.55 54.99 2zit s ASP 373 Cb -0.14 -2.52 0.12 0.00 -0.30 0.00 0.00 42.92 40.07 2zit s ASP 373 CO 0.35 -1.58 0.99 -0.81 -0.17 0.00 0.00 175.17 173.95 2zit n PRO 374 N 8.20 1.37 0.00 4.34 -0.04 -1.26 -0.62 135.00 147.00 2zit n PRO 374 Ca 0.23 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 2zit n PRO 374 Cb 0.45 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2zit n PRO 374 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2zit n LYS 375 N 0.18 2.08 -0.06 0.54 4.76 -1.26 -4.07 118.16 120.34 2zit n LYS 375 Ca 0.08 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.50 2zit n LYS 375 Cb 0.59 -0.94 0.01 0.00 -1.84 0.00 0.00 35.03 32.85 2zit n LYS 375 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2zit n ALA 376 N -2.06 -0.20 -1.75 7.82 0.00 -1.24 -4.85 120.51 118.23 2zit n ALA 376 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2zit n ALA 376 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 2zit n ALA 376 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2zit n ASP 377 N -3.11 3.63 -4.75 0.00 8.00 -1.26 -3.86 116.55 115.20 2zit n ASP 377 Ca 0.01 1.19 -0.41 0.00 0.71 0.00 0.00 54.79 56.29 2zit n ASP 377 Cb 0.03 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.55 2zit n ASP 377 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2zit n LEU 378 N 1.15 4.49 -3.10 0.64 7.94 -1.26 -3.77 117.00 123.10 2zit n LEU 378 Ca 0.05 1.19 -0.17 0.00 -1.11 0.00 0.00 56.01 55.97 2zit n LEU 378 Cb 0.37 -1.58 -0.01 0.00 0.53 0.00 0.00 43.42 42.73 2zit n LEU 378 CO 0.64 -0.12 -0.13 0.23 -1.11 0.00 0.00 177.39 176.90 2zit n MET 379 N 0.31 0.94 -2.86 1.96 2.81 -0.77 -3.33 117.12 116.19 2zit n MET 379 Ca 0.03 -3.07 -0.41 0.00 -1.81 0.00 0.00 57.70 52.44 2zit n MET 379 Cb 0.39 -1.53 -0.04 0.00 -0.71 0.00 0.00 33.22 31.34 2zit n MET 379 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2zit s LEU 380 N -2.19 4.33 -0.21 4.03 0.20 -0.78 -1.86 118.68 122.20 2zit s LEU 380 Ca 0.36 1.43 -0.09 0.00 0.69 0.00 0.00 54.13 56.52 2zit s LEU 380 Cb 0.31 -3.35 -0.05 0.00 -0.43 0.00 0.00 46.19 42.68 2zit s LEU 380 CO -0.08 -0.23 0.12 -0.47 -0.29 0.00 0.00 176.35 175.40 2zit s TYR 381 N 1.08 3.32 -0.27 5.38 5.04 0.00 -1.37 117.35 130.54 2zit s TYR 381 Ca 0.45 0.20 -0.14 0.00 -2.44 0.00 0.00 57.07 55.13 2zit s TYR 381 Cb -0.19 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.91 2zit s TYR 381 CO 0.22 0.16 0.35 0.08 -1.34 0.00 0.00 175.55 175.02 2zit s VAL 382 N 0.62 5.19 -0.22 3.14 1.01 -0.77 -1.10 120.40 128.29 2zit s VAL 382 Ca 0.06 0.51 -0.17 0.00 0.00 0.00 0.00 61.98 62.39 2zit s VAL 382 Cb -0.12 -3.67 -0.18 0.00 0.00 0.00 0.00 36.38 32.40 2zit s VAL 382 CO 0.01 0.17 0.08 -1.20 0.00 0.00 0.00 175.10 174.16 2zit n SER 383 N 5.29 1.93 -3.66 3.32 7.64 0.18 -3.27 113.62 125.04 2zit n SER 383 Ca -0.09 0.34 -0.12 0.00 1.01 0.00 0.00 58.87 60.01 2zit n SER 383 Cb 0.51 -0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 62.76 2zit n SER 383 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2zit s LYS 384 N -2.43 0.96 -0.10 1.43 -2.85 -0.99 -4.58 119.74 111.17 2zit s LYS 384 Ca -0.31 -0.48 -0.09 0.00 -1.00 0.00 0.00 55.97 54.09 2zit s LYS 384 Cb 0.08 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.23 2zit s LYS 384 CO 0.59 -0.34 0.21 -1.64 0.10 0.00 0.00 175.35 174.27 2zit s MET 385 N -2.89 3.67 -0.10 1.78 -1.94 -1.25 -0.11 119.30 118.47 2zit s MET 385 Ca -0.03 -0.00 0.04 0.00 -1.71 0.00 0.00 55.69 53.99 2zit s MET 385 Cb 0.00 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.61 2zit s MET 385 CO -0.05 0.68 -0.22 0.54 -0.01 0.00 0.00 175.02 175.95 2zit s VAL 386 N -0.80 1.95 0.58 -6.03 0.11 -0.49 -4.95 120.40 110.78 2zit s VAL 386 Ca 0.16 -0.95 -0.19 0.00 -2.93 0.00 0.00 61.98 58.07 2zit s VAL 386 Cb -0.13 -1.70 -0.06 0.00 -1.53 0.00 0.00 36.38 32.97 2zit s VAL 386 CO 0.05 0.54 0.95 -2.65 -3.33 0.00 0.00 175.10 170.66 2zit n PRO 387 N 3.61 0.93 -4.17 1.54 -0.02 -1.26 -1.54 135.00 134.10 2zit n PRO 387 Ca -0.19 0.36 -0.13 0.00 -2.02 0.00 0.00 63.50 61.52 2zit n PRO 387 Cb 0.53 -2.14 -0.10 0.00 -0.02 0.00 0.00 33.50 31.76 2zit n PRO 387 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2zit s THR 388 N -1.50 0.82 0.23 3.45 -4.23 -1.04 -2.99 115.64 110.39 2zit s THR 388 Ca 0.74 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 59.59 2zit s THR 388 Cb -0.43 -1.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.89 2zit s THR 388 CO 0.48 -0.68 1.54 0.77 -0.54 0.00 0.00 174.62 176.19 2zit h SER 389 N 3.35 0.11 -0.86 3.99 4.64 -1.18 -3.41 113.55 120.18 2zit h SER 389 Ca -0.36 -0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 60.66 2zit h SER 389 Cb 1.18 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2zit h SER 389 CO 0.57 0.76 0.66 -0.62 -0.87 0.00 0.00 176.83 177.33 2zit s ASP 390 N -6.86 4.47 0.88 4.97 2.15 -1.26 -4.75 116.67 116.26 2zit s ASP 390 Ca -0.02 0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.04 2zit s ASP 390 Cb 0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2zit s ASP 390 CO 0.79 -3.24 0.00 1.17 -0.17 0.00 0.00 175.17 173.72 2zit n LYS 391 N 8.91 0.00 -0.25 4.34 3.00 -1.26 -2.61 118.16 130.28 2zit n LYS 391 Ca 0.40 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.74 2zit n LYS 391 Cb 0.47 0.00 0.13 0.00 0.00 0.00 0.00 35.03 35.63 2zit n LYS 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2zit n GLY 392 N 0.00 1.49 3.69 3.14 0.00 -1.26 -4.70 105.19 107.55 2zit n GLY 392 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2zit n GLY 392 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2zit s ARG 393 N -1.60 1.27 0.01 1.61 1.81 -1.07 -4.85 118.95 116.13 2zit s ARG 393 Ca 0.17 1.38 0.05 0.00 -1.72 0.00 0.00 55.73 55.61 2zit s ARG 393 Cb 0.12 -1.77 -0.02 0.00 -0.45 0.00 0.00 34.95 32.84 2zit s ARG 393 CO 0.07 -2.40 -0.14 -0.06 -0.68 0.00 0.00 175.30 172.09 2zit s PHE 394 N -2.72 1.25 -0.18 -0.53 0.08 -1.26 -2.50 117.98 112.12 2zit s PHE 394 Ca 0.65 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 57.35 2zit s PHE 394 Cb -0.21 -0.78 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 2zit s PHE 394 CO 0.58 0.00 0.04 0.71 -0.10 0.00 0.00 175.22 176.45 2zit s TYR 395 N -0.54 3.18 0.29 0.36 2.02 -0.59 -3.90 117.35 118.18 2zit s TYR 395 Ca 0.04 -0.06 -0.29 0.00 -0.37 0.00 0.00 57.07 56.39 2zit s TYR 395 Cb -0.06 -2.06 -0.10 0.00 -0.40 0.00 0.00 41.96 39.33 2zit s TYR 395 CO 0.00 0.06 1.22 0.00 -1.57 0.00 0.00 175.55 175.26 2zit s ALA 396 N 0.48 3.46 -0.08 3.71 0.00 -0.19 -1.39 121.76 127.75 2zit s ALA 396 Ca 0.02 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.10 2zit s ALA 396 Cb -0.13 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2zit s ALA 396 CO 0.01 -0.43 -0.22 0.12 0.00 0.00 0.00 175.76 175.25 2zit s PHE 397 N -0.96 2.56 0.00 0.00 5.36 0.85 -0.07 117.98 125.71 2zit s PHE 397 Ca 0.48 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.68 2zit s PHE 397 Cb -0.36 -1.68 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 2zit s PHE 397 CO 0.46 -0.25 0.00 0.41 -1.46 0.00 0.00 175.22 174.38 2zit n GLY 398 N 3.17 1.17 3.01 13.12 0.00 -0.84 0.47 105.19 125.29 2zit n GLY 398 Ca -0.18 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 2zit n GLY 398 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2zit s ARG 399 N -0.81 1.14 -0.41 1.61 3.52 -0.25 -1.42 118.95 122.32 2zit s ARG 399 Ca 0.00 -0.33 -0.27 0.00 -0.13 0.00 0.00 55.73 55.00 2zit s ARG 399 Cb 0.00 -1.03 0.02 0.00 -1.56 0.00 0.00 34.95 32.38 2zit s ARG 399 CO 0.00 0.09 1.02 0.08 -0.81 0.00 0.00 175.30 175.68 2zit s VAL 400 N 0.32 4.44 -0.47 7.11 1.01 -0.75 -0.82 120.40 131.24 2zit s VAL 400 Ca -0.06 1.25 0.23 0.00 0.00 0.00 0.00 61.98 63.39 2zit s VAL 400 Cb -0.11 -4.45 -0.14 0.00 0.00 0.00 0.00 36.38 31.69 2zit s VAL 400 CO 0.01 -0.71 0.93 0.49 0.00 0.00 0.00 175.10 175.82 2zit n PHE 401 N 7.17 0.32 -3.47 5.22 3.72 -0.78 0.76 117.46 130.41 2zit n PHE 401 Ca 0.09 0.09 -0.13 0.00 -0.05 0.00 0.00 57.45 57.46 2zit n PHE 401 Cb 0.48 -0.51 -0.03 0.00 -0.94 0.00 0.00 39.48 38.48 2zit n PHE 401 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2zit s ALA 402 N -3.27 -1.56 0.00 4.37 0.00 -1.24 -4.34 121.76 115.73 2zit s ALA 402 Ca 0.01 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2zit s ALA 402 Cb 0.14 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2zit s ALA 402 CO 0.82 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.32 2zit n GLY 403 N -0.07 0.84 2.92 0.00 0.00 0.21 -1.85 105.19 107.24 2zit n GLY 403 Ca -0.17 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 2zit n GLY 403 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zit s THR 404 N 0.00 0.18 -0.16 2.61 -4.23 -1.26 -2.27 115.64 110.52 2zit s THR 404 Ca 0.00 -0.19 -0.09 0.00 -1.18 0.00 0.00 61.69 60.22 2zit s THR 404 Cb 0.00 -0.18 -0.05 0.00 1.34 0.00 0.00 72.50 73.61 2zit s THR 404 CO 0.00 -0.01 0.16 0.54 -0.54 0.00 0.00 174.62 174.77 2zit s VAL 405 N -0.21 5.43 0.15 2.29 0.11 -0.99 -4.88 120.40 122.30 2zit s VAL 405 Ca -0.01 0.25 0.07 0.00 -2.93 0.00 0.00 61.98 59.36 2zit s VAL 405 Cb -0.02 -3.46 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 2zit s VAL 405 CO -0.00 0.51 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.58 2zit s LYS 406 N -0.21 1.15 -0.05 1.54 1.02 -1.26 -0.89 119.74 121.03 2zit s LYS 406 Ca 0.12 -1.34 -0.30 0.00 0.02 0.00 0.00 55.97 54.47 2zit s LYS 406 Cb -0.12 -1.07 -0.05 0.00 -0.52 0.00 0.00 37.83 36.08 2zit s LYS 406 CO 0.01 0.21 1.43 -1.12 -0.92 0.00 0.00 175.35 174.96 2zit s SER 407 N -2.64 6.83 0.00 2.83 0.01 -0.57 -2.27 113.70 117.89 2zit s SER 407 Ca 0.13 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.44 2zit s SER 407 Cb -0.04 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2zit s SER 407 CO 0.05 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2zit n GLY 408 N 3.74 3.37 3.69 3.44 0.00 0.21 -5.01 105.19 114.63 2zit n GLY 408 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2zit n GLY 408 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2zit n GLN 409 N -2.00 2.63 -2.67 1.61 7.27 -0.96 -4.34 117.38 118.92 2zit n GLN 409 Ca 0.00 0.95 -0.41 0.00 0.07 0.00 0.00 57.00 57.61 2zit n GLN 409 Cb 0.00 -2.81 -0.04 0.00 2.41 0.00 0.00 30.24 29.80 2zit n GLN 409 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 2zit s LYS 410 N 2.10 4.66 0.06 3.69 -2.85 -1.26 -1.15 119.74 124.98 2zit s LYS 410 Ca 0.80 1.52 0.03 0.00 -1.00 0.00 0.00 55.97 57.32 2zit s LYS 410 Cb -0.54 -3.36 -0.03 0.00 -2.06 0.00 0.00 37.83 31.85 2zit s LYS 410 CO 0.37 0.16 -0.08 0.08 0.10 0.00 0.00 175.35 175.98 2zit s VAL 411 N 0.01 0.64 -0.86 1.79 1.01 0.32 -4.93 120.40 118.38 2zit s VAL 411 Ca 0.48 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 2zit s VAL 411 Cb -0.25 -0.85 0.12 0.00 0.00 0.00 0.00 36.38 35.40 2zit s VAL 411 CO 0.31 -0.44 1.07 -0.13 0.00 0.00 0.00 175.10 175.91 2zit s ARG 412 N -1.98 3.48 -0.84 2.72 0.52 -0.98 -2.36 118.95 119.52 2zit s ARG 412 Ca -0.05 -1.57 -0.25 0.00 -0.52 0.00 0.00 55.73 53.34 2zit s ARG 412 Cb -0.07 -4.75 -0.05 0.00 0.52 0.00 0.00 34.95 30.59 2zit s ARG 412 CO -0.00 -1.77 1.95 0.42 0.02 0.00 0.00 175.30 175.92 2zit s ILE 413 N 2.93 3.41 -0.36 1.52 1.01 -1.00 -3.02 121.20 125.68 2zit s ILE 413 Ca 0.30 -0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 2zit s ILE 413 Cb -0.08 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2zit s ILE 413 CO -0.05 -0.90 0.68 -1.10 0.00 0.00 0.00 174.94 173.56 2zit s GLN 414 N 7.09 3.69 0.00 2.79 -0.21 -0.30 -2.62 119.66 130.10 2zit s GLN 414 Ca 0.70 0.11 0.00 0.00 0.02 0.00 0.00 55.36 56.20 2zit s GLN 414 Cb -0.08 -3.81 0.00 0.00 1.00 0.00 0.00 33.01 30.12 2zit s GLN 414 CO 0.04 -0.77 0.00 0.41 -2.12 0.00 0.00 175.29 172.85 2zit n GLY 415 N 4.64 -1.46 0.16 3.09 0.00 -0.85 -1.07 105.19 109.69 2zit n GLY 415 Ca -0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 2zit n GLY 415 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2zit h PRO 416 N 0.00 0.45 0.00 1.61 0.11 -1.87 -3.18 132.00 129.11 2zit h PRO 416 Ca 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2zit h PRO 416 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 2zit h PRO 416 CO 0.00 0.54 0.00 0.09 -0.21 0.00 0.00 178.00 178.42 2zit n ASN 417 N -4.68 0.00 -4.75 -2.05 3.02 -1.26 -4.91 115.26 100.63 2zit n ASN 417 Ca -0.03 0.45 -0.38 0.00 -0.03 0.00 0.00 54.58 54.59 2zit n ASN 417 Cb 0.19 -0.48 0.04 0.00 -0.61 0.00 0.00 39.78 38.92 2zit n ASN 417 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2zit s TYR 418 N -2.96 2.31 -0.04 3.10 5.04 -1.20 -4.87 117.35 118.72 2zit s TYR 418 Ca 0.14 1.42 -0.02 0.00 -2.44 0.00 0.00 57.07 56.18 2zit s TYR 418 Cb 0.18 -3.73 0.03 0.00 0.35 0.00 0.00 41.96 38.80 2zit s TYR 418 CO 0.50 -2.74 0.08 0.08 -1.34 0.00 0.00 175.55 172.13 2zit s VAL 419 N -1.36 -0.05 0.64 3.14 1.01 -1.26 -4.84 120.40 117.68 2zit s VAL 419 Ca 0.73 0.17 0.22 0.00 0.00 0.00 0.00 61.98 63.10 2zit s VAL 419 Cb -0.38 -0.15 0.27 0.00 0.00 0.00 0.00 36.38 36.11 2zit s VAL 419 CO 0.44 0.07 1.61 -0.65 0.00 0.00 0.00 175.10 176.57 2zit h PRO 420 N 7.08 0.00 0.00 2.72 0.11 -1.91 -1.54 132.00 138.46 2zit h PRO 420 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 2zit h PRO 420 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2zit h PRO 420 CO 0.46 0.00 -0.05 0.78 -0.21 0.00 0.00 178.00 178.97 2zit h GLY 421 N 0.00 0.00 -0.30 -0.55 0.00 -1.96 -3.47 103.07 96.80 2zit h GLY 421 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 2zit h GLY 421 CO -0.00 0.00 0.07 0.28 0.00 0.00 0.00 176.54 176.89 2zit n LYS 422 N -4.71 -1.33 -0.12 4.80 4.76 -0.58 -5.01 118.16 115.97 2zit n LYS 422 Ca -0.04 -0.62 0.04 0.00 -2.87 0.00 0.00 58.31 54.82 2zit n LYS 422 Cb 0.18 -0.52 0.05 0.00 -1.84 0.00 0.00 35.03 32.91 2zit n LYS 422 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2zit n LYS 423 N -2.41 1.37 -3.00 1.97 5.02 -1.26 -4.74 118.16 115.11 2zit n LYS 423 Ca 0.05 -1.69 -0.33 0.00 -2.02 0.00 0.00 58.31 54.32 2zit n LYS 423 Cb 0.20 -1.04 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 2zit n LYS 423 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2zit s ASP 424 N -1.60 6.89 -1.30 4.39 1.01 -1.26 -4.15 116.67 120.64 2zit s ASP 424 Ca 0.13 1.47 -0.04 0.00 0.71 0.00 0.00 52.55 54.81 2zit s ASP 424 Cb 0.11 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.60 2zit s ASP 424 CO 0.01 -0.24 1.02 -0.67 0.21 0.00 0.00 175.17 175.51 2zit n ASP 425 N -0.33 -3.69 -4.06 0.27 -0.08 -1.26 -4.11 116.55 103.29 2zit n ASP 425 Ca 0.04 -0.64 -0.18 0.00 -1.51 0.00 0.00 54.79 52.50 2zit n ASP 425 Cb 0.53 -4.82 -0.14 0.00 2.34 0.00 0.00 41.12 39.03 2zit n ASP 425 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2zit s LEU 426 N -6.83 2.09 -0.34 -2.67 2.96 -1.26 -2.01 118.68 110.63 2zit s LEU 426 Ca 0.27 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2zit s LEU 426 Cb -0.12 -0.48 0.14 0.00 0.50 0.00 0.00 46.19 46.23 2zit s LEU 426 CO 0.75 0.05 0.30 -0.36 -1.32 0.00 0.00 176.35 175.77 2zit s PHE 427 N -0.54 -0.06 -1.03 5.38 0.40 -1.08 -5.00 117.98 116.05 2zit s PHE 427 Ca 0.01 -0.85 -0.23 0.00 -0.60 0.00 0.00 56.93 55.27 2zit s PHE 427 Cb -0.06 -0.58 0.00 0.00 0.51 0.00 0.00 43.02 42.90 2zit s PHE 427 CO 0.00 -0.91 1.73 0.42 0.70 0.00 0.00 175.22 177.16 2zit s ILE 428 N 1.64 3.73 0.38 0.64 1.01 -1.26 -2.37 121.20 124.96 2zit s ILE 428 Ca 0.15 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.08 2zit s ILE 428 Cb -0.17 -4.63 -0.07 0.00 0.01 0.00 0.00 42.46 37.60 2zit s ILE 428 CO -0.13 -1.47 -0.00 -0.54 0.00 0.00 0.00 174.94 172.80 2zit s LYS 429 N 5.81 1.86 -0.17 2.79 -0.14 -1.00 -4.92 119.74 123.97 2zit s LYS 429 Ca 0.59 -2.03 -0.10 0.00 -1.36 0.00 0.00 55.97 53.07 2zit s LYS 429 Cb -0.02 -1.50 -0.05 0.00 -1.68 0.00 0.00 37.83 34.58 2zit s LYS 429 CO -0.01 -0.03 0.15 0.00 -0.76 0.00 0.00 175.35 174.69 2zit s ALA 430 N -2.80 3.73 -0.26 5.17 0.00 -1.26 -0.52 121.76 125.82 2zit s ALA 430 Ca 0.34 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 2zit s ALA 430 Cb 0.08 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 2zit s ALA 430 CO 0.17 0.27 1.58 0.42 0.00 0.00 0.00 175.76 178.20 2zit s ILE 431 N 0.00 3.75 0.02 0.00 1.01 -0.30 -4.93 121.20 120.74 2zit s ILE 431 Ca 0.11 0.83 -0.12 0.00 0.00 0.00 0.00 60.65 61.46 2zit s ILE 431 Cb -0.12 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 2zit s ILE 431 CO 0.00 -0.38 1.18 1.56 0.00 0.00 0.00 174.94 177.31 2zit h GLN 432 N 10.79 -0.41 -3.61 2.79 4.20 -1.84 0.60 115.11 127.62 2zit h GLN 432 Ca -0.32 0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.12 2zit h GLN 432 Cb 1.14 0.09 -0.33 0.00 0.30 0.00 0.00 27.48 28.69 2zit h GLN 432 CO 1.02 -0.28 -0.73 1.03 -0.67 0.00 0.00 178.83 179.20 2zit s ARG 433 N -3.95 0.03 -0.13 1.46 0.52 -1.20 -3.44 118.95 112.24 2zit s ARG 433 Ca -0.06 0.13 -0.17 0.00 -0.52 0.00 0.00 55.73 55.10 2zit s ARG 433 Cb 0.01 -0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.19 2zit s ARG 433 CO 0.19 -0.13 0.44 0.08 0.02 0.00 0.00 175.30 175.91 2zit s VAL 434 N 0.84 5.21 0.01 3.52 1.01 -1.26 -1.56 120.40 128.17 2zit s VAL 434 Ca -0.07 0.87 0.03 0.00 0.00 0.00 0.00 61.98 62.81 2zit s VAL 434 Cb -0.10 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2zit s VAL 434 CO -0.02 0.34 -0.09 0.68 0.00 0.00 0.00 175.10 176.00 2zit s VAL 435 N 0.61 0.72 0.33 2.92 -7.23 -0.50 0.02 120.40 117.27 2zit s VAL 435 Ca 0.24 -0.58 -0.27 0.00 -1.81 0.00 0.00 61.98 59.56 2zit s VAL 435 Cb -0.15 -0.64 -0.09 0.00 0.56 0.00 0.00 36.38 36.06 2zit s VAL 435 CO 0.09 0.06 1.06 -0.76 -0.31 0.00 0.00 175.10 175.25 2zit s LEU 436 N -0.58 4.38 -1.24 1.32 1.43 -0.64 -0.75 118.68 122.61 2zit s LEU 436 Ca 0.01 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 2zit s LEU 436 Cb -0.05 -3.86 0.15 0.00 0.03 0.00 0.00 46.19 42.45 2zit s LEU 436 CO 0.00 -0.27 1.55 0.23 0.23 0.00 0.00 176.35 178.09 2zit n MET 437 N 0.68 3.34 -0.91 1.70 2.81 -1.26 -2.93 117.12 120.56 2zit n MET 437 Ca 0.01 -3.69 -0.10 0.00 -1.81 0.00 0.00 57.70 52.12 2zit n MET 437 Cb 0.47 -3.13 -0.14 0.00 -0.71 0.00 0.00 33.22 29.71 2zit n MET 437 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2zit n MET 438 N 6.06 1.81 0.00 0.03 0.00 -0.46 -4.54 117.12 120.03 2zit n MET 438 Ca 0.40 -0.82 0.00 0.00 0.00 0.00 0.00 57.70 57.28 2zit n MET 438 Cb 0.43 -1.82 0.00 0.00 0.00 0.00 0.00 33.22 31.82 2zit n MET 438 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2zit n GLY 439 N 2.33 1.59 0.01 3.03 0.00 -0.76 -2.55 105.19 108.83 2zit n GLY 439 Ca 0.35 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.65 2zit n GLY 439 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2zit n ARG 440 N 0.00 0.62 -4.29 1.61 0.63 -1.26 -3.38 116.66 110.59 2zit n ARG 440 Ca 0.00 -0.14 -0.24 0.00 -0.92 0.00 0.00 57.85 56.55 2zit n ARG 440 Cb 0.00 -1.45 -0.08 0.00 0.45 0.00 0.00 32.46 31.38 2zit n ARG 440 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2zit s PHE 441 N -3.24 2.61 -0.02 -0.14 0.08 -1.06 -0.40 117.98 115.81 2zit s PHE 441 Ca -0.04 -0.32 0.07 0.00 0.12 0.00 0.00 56.93 56.76 2zit s PHE 441 Cb 0.13 -1.34 -0.02 0.00 -0.57 0.00 0.00 43.02 41.22 2zit s PHE 441 CO 0.80 0.54 -0.24 0.14 -0.10 0.00 0.00 175.22 176.37 2zit s VAL 442 N -2.42 2.27 -0.28 -0.44 -7.23 -1.25 -1.35 120.40 109.71 2zit s VAL 442 Ca 0.33 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2zit s VAL 442 Cb -0.04 -1.82 0.08 0.00 0.56 0.00 0.00 36.38 35.16 2zit s VAL 442 CO 0.20 0.56 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.84 2zit s GLU 443 N -0.71 1.51 0.27 4.82 2.56 -1.15 -4.92 118.70 121.07 2zit s GLU 443 Ca 0.11 -1.29 -0.29 0.00 0.00 0.00 0.00 54.97 53.50 2zit s GLU 443 Cb -0.10 -2.69 -0.14 0.00 2.00 0.00 0.00 34.13 33.19 2zit s GLU 443 CO -0.00 -0.75 1.11 -2.30 -0.56 0.00 0.00 175.26 172.76 2zit n PRO 444 N 4.56 1.47 -3.76 4.30 -0.02 -1.26 -1.61 135.00 138.67 2zit n PRO 444 Ca -0.06 0.52 -0.14 0.00 -2.02 0.00 0.00 63.50 61.80 2zit n PRO 444 Cb 0.43 -1.97 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 2zit n PRO 444 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2zit s ILE 445 N -0.77 -0.05 -0.48 4.25 1.10 0.10 -4.86 121.20 120.50 2zit s ILE 445 Ca 0.62 0.17 0.24 0.00 -0.51 0.00 0.00 60.65 61.18 2zit s ILE 445 Cb -0.71 -0.20 0.26 0.00 0.15 0.00 0.00 42.46 41.96 2zit s ILE 445 CO 0.57 0.07 1.73 0.47 -2.11 0.00 0.00 174.94 175.68 2zit n ASP 446 N 4.09 0.73 -3.67 4.50 8.00 -1.26 -4.08 116.55 124.86 2zit n ASP 446 Ca -0.26 0.66 -0.06 0.00 0.71 0.00 0.00 54.79 55.85 2zit n ASP 446 Cb 0.52 -0.83 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 2zit n ASP 446 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2zit s ASP 447 N -4.36 -0.29 -0.30 -2.24 -4.77 -1.26 -1.51 116.67 101.95 2zit s ASP 447 Ca 0.05 -0.29 -0.02 0.00 -3.30 0.00 0.00 52.55 48.98 2zit s ASP 447 Cb 0.10 0.52 0.18 0.00 -1.09 0.00 0.00 42.92 42.62 2zit s ASP 447 CO 0.42 -0.92 0.59 0.00 0.70 0.00 0.00 175.17 175.97 2zit s PRO 449 N 2.84 0.38 0.65 0.00 0.04 -1.26 -2.35 135.00 135.31 2zit s PRO 449 Ca 0.17 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.28 2zit s PRO 449 Cb -0.15 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 2zit s PRO 449 CO -0.20 -2.96 1.14 0.00 0.04 0.00 0.00 177.00 175.02 2zit s ALA 450 N -2.61 2.44 0.00 8.56 0.00 -0.96 -3.99 121.76 125.19 2zit s ALA 450 Ca 0.67 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2zit s ALA 450 Cb -0.23 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2zit s ALA 450 CO 0.60 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2zit n GLY 451 N -0.12 0.88 3.23 0.00 0.00 0.23 -4.93 105.19 104.49 2zit n GLY 451 Ca 0.11 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 2zit n GLY 451 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2zit s ASN 452 N -2.45 1.46 -0.21 1.61 0.01 -1.25 -4.70 114.94 109.42 2zit s ASN 452 Ca 0.00 -1.08 -0.12 0.00 -0.71 0.00 0.00 52.86 50.95 2zit s ASN 452 Cb 0.00 0.06 -0.05 0.00 0.41 0.00 0.00 41.25 41.67 2zit s ASN 452 CO 0.00 -0.45 0.22 -0.63 -1.51 0.00 0.00 177.10 174.73 2zit s ILE 453 N -3.51 5.33 0.15 0.60 1.09 -1.26 -1.82 121.20 121.78 2zit s ILE 453 Ca 0.19 0.36 -0.07 0.00 -1.10 0.00 0.00 60.65 60.02 2zit s ILE 453 Cb 0.05 -3.56 -0.02 0.00 -1.06 0.00 0.00 42.46 37.87 2zit s ILE 453 CO 0.01 0.36 0.22 -0.51 -0.10 0.00 0.00 174.94 174.92 2zit s ILE 454 N 0.80 0.08 0.18 2.92 1.10 -0.51 -4.74 121.20 121.03 2zit s ILE 454 Ca 0.12 -1.49 0.10 0.00 -0.51 0.00 0.00 60.65 58.87 2zit s ILE 454 Cb -0.13 -1.83 -0.04 0.00 0.15 0.00 0.00 42.46 40.60 2zit s ILE 454 CO 0.03 -0.38 -0.20 -0.83 -2.11 0.00 0.00 174.94 171.46 2zit s GLY 455 N -2.97 1.70 0.07 1.50 0.00 0.07 -1.99 107.32 105.71 2zit s GLY 455 Ca 0.17 -1.55 0.09 0.00 0.00 0.00 0.00 44.72 43.43 2zit s GLY 455 CO -0.01 -1.56 -0.24 1.08 0.00 0.00 0.00 173.10 172.37 2zit s LEU 456 N -2.60 2.22 -0.20 0.66 1.43 0.89 -1.41 118.68 119.68 2zit s LEU 456 Ca 0.21 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2zit s LEU 456 Cb -0.09 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 45.07 2zit s LEU 456 CO 0.11 0.17 -0.15 -0.69 0.23 0.00 0.00 176.35 176.02 2zit s VAL 457 N -0.92 1.96 0.00 -1.59 1.01 -0.60 -1.02 120.40 119.24 2zit s VAL 457 Ca 0.10 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2zit s VAL 457 Cb -0.10 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2zit s VAL 457 CO 0.03 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2zit n GLY 458 N 4.60 1.55 0.00 4.51 0.00 -1.26 -2.92 105.19 111.67 2zit n GLY 458 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2zit n GLY 458 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2zit n ILE 459 N -0.23 0.00 0.15 -0.61 -0.00 -1.26 -4.79 119.36 112.62 2zit n ILE 459 Ca 0.00 -0.31 0.09 0.00 -0.00 0.00 0.00 62.75 62.52 2zit n ILE 459 Cb 0.00 1.19 0.46 0.00 -0.00 0.00 0.00 39.64 41.29 2zit n ILE 459 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2zit n ASP 460 N -0.31 0.44 -0.59 4.38 5.75 -1.25 -0.51 116.55 124.46 2zit n ASP 460 Ca 0.00 0.67 0.09 0.00 -0.01 0.00 0.00 54.79 55.53 2zit n ASP 460 Cb 0.05 -0.69 0.05 0.00 -1.03 0.00 0.00 41.12 39.49 2zit n ASP 460 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2zit n GLN 461 N -2.12 1.53 -0.02 0.11 0.00 -1.26 -4.51 117.38 111.11 2zit n GLN 461 Ca -0.01 -1.29 -0.02 0.00 0.00 0.00 0.00 57.00 55.68 2zit n GLN 461 Cb 0.13 -1.32 -0.03 0.00 0.00 0.00 0.00 30.24 29.02 2zit n GLN 461 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2zit n PHE 462 N 0.59 0.00 -4.19 2.61 3.72 0.33 -4.98 117.46 115.55 2zit n PHE 462 Ca 0.09 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.15 2zit n PHE 462 Cb 0.41 -0.17 -0.14 0.00 -0.94 0.00 0.00 39.48 38.64 2zit n PHE 462 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2zit s LEU 463 N -4.28 2.71 0.03 4.37 1.43 -0.28 -4.93 118.68 117.74 2zit s LEU 463 Ca -0.02 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 2zit s LEU 463 Cb 0.01 -1.66 -0.17 0.00 0.03 0.00 0.00 46.19 44.40 2zit s LEU 463 CO 0.14 0.04 1.29 0.25 0.23 0.00 0.00 176.35 178.30 2zit h LEU 464 N 7.69 -0.92 0.00 1.79 5.85 -1.87 -3.43 115.31 124.41 2zit h LEU 464 Ca -0.38 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2zit h LEU 464 Cb 1.17 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.44 2zit h LEU 464 CO 0.60 -0.58 0.00 0.29 -0.34 0.00 0.00 178.44 178.40 2zit n LYS 465 N -5.34 0.00 -4.87 1.25 5.02 -1.26 -4.78 118.16 108.18 2zit n LYS 465 Ca -0.14 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.87 2zit n LYS 465 Cb 0.43 -0.13 -0.15 0.00 -0.02 0.00 0.00 35.03 35.16 2zit n LYS 465 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2zit s THR 466 N -1.67 1.88 0.16 -0.18 2.01 -1.26 -3.75 115.64 112.82 2zit s THR 466 Ca 0.00 -1.21 -0.24 0.00 0.31 0.00 0.00 61.69 60.55 2zit s THR 466 Cb 0.00 -1.60 0.08 0.00 0.01 0.00 0.00 72.50 70.99 2zit s THR 466 CO 0.00 0.35 1.03 -0.83 -0.69 0.00 0.00 174.62 174.48 2zit s GLY 467 N -1.03 -0.05 -0.11 4.40 0.00 -1.20 -4.54 107.32 104.78 2zit s GLY 467 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.73 2zit s GLY 467 CO 0.01 1.42 -0.11 -1.59 0.00 0.00 0.00 173.10 172.84 2zit s THR 468 N -2.58 1.22 -0.18 0.90 2.01 -0.23 -1.84 115.64 114.94 2zit s THR 468 Ca 0.18 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 2zit s THR 468 Cb -0.02 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 2zit s THR 468 CO 0.03 0.39 0.12 -0.76 -0.69 0.00 0.00 174.62 173.72 2zit s LEU 469 N 1.39 4.15 0.00 4.42 1.02 -0.47 -1.15 118.68 128.05 2zit s LEU 469 Ca 0.00 0.23 0.01 0.00 0.02 0.00 0.00 54.13 54.40 2zit s LEU 469 Cb -0.13 -2.06 -0.00 0.00 0.02 0.00 0.00 46.19 44.01 2zit s LEU 469 CO -0.06 0.21 0.04 0.35 0.02 0.00 0.00 176.35 176.92 2zit n THR 470 N 3.30 0.00 0.00 5.49 -2.24 -1.17 -1.86 114.28 117.80 2zit n THR 470 Ca -0.17 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2zit n THR 470 Cb 0.52 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 2zit n THR 470 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2zit n THR 471 N -0.12 0.00 -2.35 4.28 -1.04 -1.21 -2.31 114.28 111.53 2zit n THR 471 Ca 0.01 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.59 2zit n THR 471 Cb 0.10 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.59 2zit n THR 471 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2zit s SER 472 N -0.37 6.89 0.13 8.00 0.15 -1.26 -4.89 113.70 122.35 2zit s SER 472 Ca 0.00 1.77 0.16 0.00 0.70 0.00 0.00 55.95 58.58 2zit s SER 472 Cb 0.00 -2.54 0.71 0.00 -1.71 0.00 0.00 66.02 62.48 2zit s SER 472 CO 0.00 -0.79 1.49 1.21 1.20 0.00 0.00 173.24 176.35 2zit n GLU 473 N 6.71 0.08 -1.18 5.44 2.13 -1.26 -1.69 120.64 130.87 2zit n GLU 473 Ca 0.14 0.41 -0.10 0.00 0.66 0.00 0.00 57.16 58.27 2zit n GLU 473 Cb 0.44 -1.69 0.14 0.00 0.27 0.00 0.00 31.44 30.60 2zit n GLU 473 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2zit n THR 474 N -1.85 2.52 -3.56 6.31 -2.24 -1.26 -4.90 114.28 109.29 2zit n THR 474 Ca 0.02 -3.40 -0.37 0.00 -2.27 0.00 0.00 64.05 58.02 2zit n THR 474 Cb 0.14 -0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 67.68 2zit n THR 474 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2zit s ALA 475 N -3.40 3.65 1.00 6.98 0.00 -0.68 -5.00 121.76 124.30 2zit s ALA 475 Ca 0.46 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 2zit s ALA 475 Cb 0.40 -2.34 0.20 0.00 0.00 0.00 0.00 23.12 21.38 2zit s ALA 475 CO -0.01 0.26 1.20 0.72 0.00 0.00 0.00 175.76 177.92 2zit n HIS 476 N 2.93 -4.00 -3.48 0.00 8.25 -1.26 -4.61 115.22 113.05 2zit n HIS 476 Ca -0.13 -1.06 -0.37 0.00 -0.26 0.00 0.00 57.72 55.90 2zit n HIS 476 Cb 0.52 -0.92 -0.07 0.00 1.12 0.00 0.00 29.99 30.63 2zit n HIS 476 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2zit s ASN 477 N -5.37 6.40 -0.16 0.41 0.01 -1.26 -4.97 114.94 110.00 2zit s ASN 477 Ca 0.68 0.47 -0.29 0.00 -0.71 0.00 0.00 52.86 53.01 2zit s ASN 477 Cb -0.02 -2.20 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 2zit s ASN 477 CO 0.48 0.01 1.39 -0.04 -1.51 0.00 0.00 177.10 177.43 2zit s MET 478 N 0.92 4.14 0.00 -0.60 -1.94 -1.26 -3.33 119.30 117.23 2zit s MET 478 Ca 0.17 1.73 0.00 0.00 -1.71 0.00 0.00 55.69 55.88 2zit s MET 478 Cb -0.14 -3.85 0.00 0.00 2.01 0.00 0.00 34.83 32.85 2zit s MET 478 CO 0.06 -0.84 0.00 1.63 -0.01 0.00 0.00 175.02 175.86 2zit n LYS 479 N 6.90 0.00 -2.12 2.03 4.76 -1.21 -4.76 118.16 123.77 2zit n LYS 479 Ca 0.15 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.20 2zit n LYS 479 Cb 0.45 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.63 2zit n LYS 479 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2zit s VAL 480 N -0.01 2.76 -0.39 -0.18 -7.23 -1.26 -5.00 120.40 109.09 2zit s VAL 480 Ca 0.00 0.65 -0.12 0.00 -1.81 0.00 0.00 61.98 60.70 2zit s VAL 480 Cb 0.00 -3.37 0.03 0.00 0.56 0.00 0.00 36.38 33.60 2zit s VAL 480 CO 0.00 0.07 0.25 -0.04 -0.31 0.00 0.00 175.10 175.07 2zit s MET 481 N -2.34 2.85 -0.11 4.82 1.00 -1.26 -5.04 119.30 119.22 2zit s MET 481 Ca 0.59 -1.11 -0.32 0.00 0.00 0.00 0.00 55.69 54.84 2zit s MET 481 Cb -0.35 -3.83 -0.10 0.00 0.00 0.00 0.00 34.83 30.55 2zit s MET 481 CO 0.45 -0.76 2.00 1.63 0.00 0.00 0.00 175.02 178.34 2zit n LYS 482 N 5.05 2.21 -3.81 2.03 5.02 -1.26 -4.85 118.16 122.55 2zit n LYS 482 Ca -0.11 0.77 -0.27 0.00 -2.02 0.00 0.00 58.31 56.68 2zit n LYS 482 Cb 0.46 -2.82 -0.17 0.00 -0.02 0.00 0.00 35.03 32.48 2zit n LYS 482 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2zit s PHE 483 N 5.26 1.19 -0.15 2.13 0.08 -1.26 -4.95 117.98 120.28 2zit s PHE 483 Ca 0.95 -0.75 -0.07 0.00 0.12 0.00 0.00 56.93 57.18 2zit s PHE 483 Cb -0.58 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 2zit s PHE 483 CO 0.46 -0.53 0.10 0.45 -0.10 0.00 0.00 175.22 175.60 2zit s SER 484 N 1.80 5.99 -0.09 1.36 0.15 -1.26 -4.98 113.70 116.67 2zit s SER 484 Ca 0.01 0.28 0.14 0.00 0.70 0.00 0.00 55.95 57.08 2zit s SER 484 Cb -0.15 -1.96 0.56 0.00 -1.71 0.00 0.00 66.02 62.76 2zit s SER 484 CO -0.07 0.30 1.42 0.55 1.20 0.00 0.00 173.24 176.64 2zit n VAL 485 N 2.71 1.43 -2.33 4.45 3.14 -1.26 -4.82 118.33 121.63 2zit n VAL 485 Ca -0.18 -0.90 -0.43 0.00 -2.96 0.00 0.00 64.34 59.87 2zit n VAL 485 Cb 0.53 0.01 -0.02 0.00 -1.06 0.00 0.00 33.84 33.30 2zit n VAL 485 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2zit s SER 486 N -0.79 6.51 -1.09 6.55 0.15 -1.26 -4.92 113.70 118.86 2zit s SER 486 Ca 0.39 1.20 -0.23 0.00 0.70 0.00 0.00 55.95 58.01 2zit s SER 486 Cb 0.25 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 61.90 2zit s SER 486 CO 0.18 -1.22 1.95 -2.65 1.20 0.00 0.00 173.24 172.71 2zit n PRO 487 N 7.59 1.33 0.15 5.44 -0.02 -1.26 -4.40 135.00 143.84 2zit n PRO 487 Ca 0.16 -2.25 0.08 0.00 -2.02 0.00 0.00 63.50 59.47 2zit n PRO 487 Cb 0.47 -3.63 0.07 0.00 -0.02 0.00 0.00 33.50 30.38 2zit n PRO 487 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2zit h VAL 488 N 6.00 0.28 -3.66 -1.45 2.07 -1.70 -3.43 116.25 114.36 2zit h VAL 488 Ca 0.21 -1.43 -0.49 0.00 0.82 0.00 0.00 66.70 65.81 2zit h VAL 488 Cb 0.91 2.00 -0.32 0.00 -1.52 0.00 0.00 31.29 32.36 2zit h VAL 488 CO 1.30 0.16 -0.81 -0.69 0.02 0.00 0.00 177.57 177.56 2zit s VAL 489 N -3.15 1.06 0.18 2.57 1.01 -1.12 -0.50 120.40 120.46 2zit s VAL 489 Ca 0.03 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2zit s VAL 489 Cb 0.07 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2zit s VAL 489 CO 0.73 0.33 0.25 0.00 0.00 0.00 0.00 175.10 176.41 2zit s GLN 490 N 0.38 1.19 0.16 2.72 -2.07 -0.74 0.57 119.66 121.88 2zit s GLN 490 Ca -0.08 -1.33 -0.10 0.00 -1.82 0.00 0.00 55.36 52.03 2zit s GLN 490 Cb -0.13 0.35 -0.00 0.00 -1.09 0.00 0.00 33.01 32.14 2zit s GLN 490 CO 0.02 -0.43 0.30 0.14 -1.32 0.00 0.00 175.29 174.01 2zit s VAL 491 N -4.03 0.07 -0.16 3.63 -7.23 -0.01 -2.36 120.40 110.31 2zit s VAL 491 Ca 0.24 -1.28 -0.07 0.00 -1.81 0.00 0.00 61.98 59.06 2zit s VAL 491 Cb 0.04 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2zit s VAL 491 CO 0.04 -0.32 0.08 0.00 -0.31 0.00 0.00 175.10 174.60 2zit s ALA 492 N -3.94 3.55 -0.17 1.32 0.00 -1.26 -1.08 121.76 120.17 2zit s ALA 492 Ca 0.15 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 2zit s ALA 492 Cb 0.03 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 2zit s ALA 492 CO -0.02 0.33 -0.02 0.08 0.00 0.00 0.00 175.76 176.13 2zit s VAL 493 N -0.11 3.93 -0.08 0.00 1.01 -0.32 -3.85 120.40 120.98 2zit s VAL 493 Ca 0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 2zit s VAL 493 Cb -0.12 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.56 2zit s VAL 493 CO 0.01 0.47 0.20 -0.70 0.00 0.00 0.00 175.10 175.08 2zit s GLU 494 N 0.55 0.16 0.24 2.72 -6.30 -1.08 -4.27 118.70 110.72 2zit s GLU 494 Ca -0.02 0.43 -0.30 0.00 -2.50 0.00 0.00 54.97 52.58 2zit s GLU 494 Cb -0.14 -0.13 -0.09 0.00 0.00 0.00 0.00 34.13 33.77 2zit s GLU 494 CO 0.02 -0.15 1.25 0.14 0.02 0.00 0.00 175.26 176.54 2zit s VAL 495 N 1.11 3.22 0.13 3.70 -7.23 -1.26 -0.24 120.40 119.84 2zit s VAL 495 Ca -0.08 1.09 0.14 0.00 -1.81 0.00 0.00 61.98 61.31 2zit s VAL 495 Cb -0.10 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.16 2zit s VAL 495 CO -0.07 0.20 1.56 0.50 -0.31 0.00 0.00 175.10 176.99 2zit h LYS 496 N 4.65 0.00 -4.92 4.82 3.64 -1.63 -3.42 116.57 119.71 2zit h LYS 496 Ca -0.46 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.27 2zit h LYS 496 Cb 1.22 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.81 2zit h LYS 496 CO 0.72 0.58 -0.62 -0.80 -2.27 0.00 0.00 179.45 177.07 2zit s ASN 497 N -6.60 5.18 0.36 4.20 0.01 -1.26 -5.00 114.94 111.84 2zit s ASN 497 Ca 0.01 -0.28 0.09 0.00 -0.71 0.00 0.00 52.86 51.96 2zit s ASN 497 Cb 0.11 -1.93 0.70 0.00 0.41 0.00 0.00 41.25 40.54 2zit s ASN 497 CO 0.74 -0.06 1.87 0.00 -1.51 0.00 0.00 177.10 178.14 2zit h ALA 498 N 8.25 1.42 0.00 0.60 0.00 -1.99 -2.82 119.26 124.72 2zit h ALA 498 Ca -0.37 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 2zit h ALA 498 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2zit h ALA 498 CO 0.58 0.41 -0.47 -2.95 0.00 0.00 0.00 179.25 176.82 2zit h ASN 499 N 0.24 0.00 -0.21 0.00 -1.07 -1.97 -2.92 115.58 109.65 2zit h ASN 499 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.42 2zit h ASN 499 Cb 0.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.71 2zit h ASN 499 CO 0.03 0.47 0.00 0.47 0.07 0.00 0.00 177.43 178.47 2zit n ASP 500 N -3.82 2.60 0.03 6.14 8.00 -1.07 -4.41 116.55 124.02 2zit n ASP 500 Ca -0.01 -2.31 -0.10 0.00 0.71 0.00 0.00 54.79 53.08 2zit n ASP 500 Cb 0.51 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 2zit n ASP 500 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2zit h LEU 501 N 1.44 -0.34 -1.63 0.64 6.46 -1.62 -2.52 115.31 117.75 2zit h LEU 501 Ca 0.00 0.06 0.09 0.00 -0.12 0.00 0.00 57.88 57.90 2zit h LEU 501 Cb 0.98 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.03 2zit h LEU 501 CO 0.16 -0.15 0.39 -0.65 -0.62 0.00 0.00 178.44 177.56 2zit h PRO 502 N -0.16 0.42 -0.22 5.25 0.11 -1.87 -1.49 132.00 134.03 2zit h PRO 502 Ca 0.06 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 2zit h PRO 502 Cb 0.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2zit h PRO 502 CO -0.15 0.28 -0.05 0.87 -0.21 0.00 0.00 178.00 178.73 2zit h LYS 503 N 0.43 0.33 -0.07 1.05 1.57 -1.78 -2.57 116.57 115.54 2zit h LYS 503 Ca 0.26 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 2zit h LYS 503 Cb 0.46 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2zit h LYS 503 CO -0.07 0.40 -0.10 1.25 -0.57 0.00 0.00 179.45 180.36 2zit h LEU 504 N 0.32 0.22 -2.01 2.94 5.85 -1.21 -1.37 115.31 120.05 2zit h LEU 504 Ca 0.07 -0.53 0.12 0.00 0.84 0.00 0.00 57.88 58.39 2zit h LEU 504 Cb 0.30 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2zit h LEU 504 CO 0.01 0.70 0.31 0.58 -0.34 0.00 0.00 178.44 179.70 2zit h VAL 505 N -0.26 0.77 0.19 1.05 2.07 -1.38 -0.25 116.25 118.44 2zit h VAL 505 Ca 0.01 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.21 2zit h VAL 505 Cb 0.65 0.78 0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2zit h VAL 505 CO 0.02 0.00 -1.36 -0.08 0.02 0.00 0.00 177.57 176.17 2zit h GLU 506 N 0.00 0.54 -0.81 1.57 4.57 -1.33 -3.21 114.58 115.91 2zit h GLU 506 Ca 0.20 -0.84 -0.00 0.00 -1.18 0.00 0.00 59.36 57.54 2zit h GLU 506 Cb 0.82 0.30 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 2zit h GLU 506 CO -0.00 1.39 0.49 0.78 -1.18 0.00 0.00 179.01 180.49 2zit h GLY 507 N 0.39 1.16 0.83 1.92 0.00 0.08 -1.00 103.07 106.46 2zit h GLY 507 Ca -0.22 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 2zit h GLY 507 CO 0.25 0.46 0.02 1.41 0.00 0.00 0.00 176.54 178.69 2zit h LEU 508 N 1.10 0.10 -2.13 3.11 3.38 -1.39 0.16 115.31 119.64 2zit h LEU 508 Ca 0.29 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2zit h LEU 508 Cb -0.05 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2zit h LEU 508 CO -0.06 0.26 -0.07 0.11 0.09 0.00 0.00 178.44 178.77 2zit h LYS 509 N -0.07 0.00 0.00 1.13 1.57 -1.53 -0.34 116.57 117.33 2zit h LYS 509 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2zit h LYS 509 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2zit h LYS 509 CO -0.00 0.07 -0.46 -0.09 -0.57 0.00 0.00 179.45 178.40 2zit h ARG 510 N 0.00 0.00 0.20 3.15 2.43 -0.59 -3.31 114.38 116.26 2zit h ARG 510 Ca -0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 2zit h ARG 510 Cb 0.20 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.78 2zit h ARG 510 CO 0.01 0.00 -1.35 1.25 -1.51 0.00 0.00 179.97 178.37 2zit h LEU 511 N 0.00 0.67 -2.31 3.80 5.85 0.99 -3.22 115.31 121.09 2zit h LEU 511 Ca 0.00 -0.93 -0.01 0.00 0.84 0.00 0.00 57.88 57.78 2zit h LEU 511 Cb 0.97 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 2zit h LEU 511 CO 0.00 1.64 -0.04 0.28 -0.34 0.00 0.00 178.44 179.97 2zit h SER 512 N -0.04 0.00 1.58 1.25 0.02 -1.45 -0.75 113.55 114.17 2zit h SER 512 Ca -0.25 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 2zit h SER 512 Cb 1.99 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.52 2zit h SER 512 CO 0.21 0.04 -0.43 0.11 -1.14 0.00 0.00 176.83 175.62 2zit h LYS 513 N 0.00 0.00 -0.02 3.45 1.57 -1.65 -3.29 116.57 116.63 2zit h LYS 513 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2zit h LYS 513 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2zit h LYS 513 CO 0.01 0.09 -0.12 -1.13 -0.57 0.00 0.00 179.45 177.73 2zit n SER 514 N -2.99 1.71 -3.49 0.86 3.41 -0.31 -4.76 113.62 108.05 2zit n SER 514 Ca 0.02 -1.43 0.01 0.00 -0.26 0.00 0.00 58.87 57.20 2zit n SER 514 Cb 0.58 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.58 2zit n SER 514 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2zit s ASP 515 N -2.18 -0.84 0.45 4.04 -1.08 -1.07 -4.89 116.67 111.10 2zit s ASP 515 Ca 0.30 1.11 0.19 0.00 -0.52 0.00 0.00 52.55 53.64 2zit s ASP 515 Cb 0.20 1.94 1.09 0.00 -1.46 0.00 0.00 42.92 44.69 2zit s ASP 515 CO 0.40 -0.16 1.97 1.55 0.52 0.00 0.00 175.17 179.45 2zit h PRO 516 N 7.73 0.00 0.18 4.34 0.13 -1.89 -3.25 132.00 139.25 2zit h PRO 516 Ca -0.17 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.73 2zit h PRO 516 Cb 1.11 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.27 2zit h PRO 516 CO 0.09 0.21 -1.04 0.00 -0.23 0.00 0.00 178.00 177.04 2zit s VAL 518 N -2.51 2.27 -0.14 0.00 0.11 -1.23 -4.80 120.40 114.10 2zit s VAL 518 Ca -0.12 0.24 -0.00 0.00 -2.93 0.00 0.00 61.98 59.17 2zit s VAL 518 Cb 0.02 -3.14 0.03 0.00 -1.53 0.00 0.00 36.38 31.76 2zit s VAL 518 CO 0.87 0.04 -0.08 -0.22 -3.33 0.00 0.00 175.10 172.38 2zit s LEU 519 N -2.59 1.45 -0.18 2.54 2.96 -1.05 -4.82 118.68 116.98 2zit s LEU 519 Ca 0.59 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 2zit s LEU 519 Cb -0.42 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 2zit s LEU 519 CO 0.54 -0.14 -0.08 0.42 -1.32 0.00 0.00 176.35 175.77 2zit s THR 520 N 1.64 3.21 0.23 3.68 -4.23 -1.26 -1.69 115.64 117.22 2zit s THR 520 Ca 0.03 -0.57 -0.11 0.00 -1.18 0.00 0.00 61.69 59.86 2zit s THR 520 Cb -0.14 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 2zit s THR 520 CO -0.08 0.47 0.41 -0.72 -0.54 0.00 0.00 174.62 174.15 2zit s TYR 521 N 1.02 0.47 -0.02 3.99 -0.85 -1.11 -4.98 117.35 115.88 2zit s TYR 521 Ca -0.00 -0.81 0.02 0.00 -0.52 0.00 0.00 57.07 55.76 2zit s TYR 521 Cb -0.15 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 2zit s TYR 521 CO -0.01 -0.91 -0.06 -1.64 -1.52 0.00 0.00 175.55 171.41 2zit s MET 522 N -4.03 2.63 0.57 -3.49 -1.94 -1.26 -1.23 119.30 110.55 2zit s MET 522 Ca 0.24 -0.66 0.07 0.00 -1.71 0.00 0.00 55.69 53.63 2zit s MET 522 Cb 0.01 -2.55 0.08 0.00 2.01 0.00 0.00 34.83 34.38 2zit s MET 522 CO 0.08 0.62 0.78 -1.54 -0.01 0.00 0.00 175.02 174.96 2zit s SER 523 N -1.25 5.10 0.55 3.03 1.04 -0.95 -4.94 113.70 116.27 2zit s SER 523 Ca 0.16 -0.64 0.22 0.00 0.48 0.00 0.00 55.95 56.16 2zit s SER 523 Cb -0.11 0.00 1.50 0.00 0.10 0.00 0.00 66.02 67.51 2zit s SER 523 CO 0.06 -1.30 2.18 -0.33 0.98 0.00 0.00 173.24 174.83 2zit h GLU 524 N 0.15 0.00 0.00 4.02 5.08 -2.01 0.16 114.58 121.98 2zit h GLU 524 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2zit h GLU 524 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2zit h GLU 524 CO 0.42 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.30 2zit n SER 525 N -4.25 0.00 -0.31 1.42 3.41 -1.26 -4.85 113.62 107.78 2zit n SER 525 Ca -0.02 -0.81 -0.04 0.00 -0.26 0.00 0.00 58.87 57.74 2zit n SER 525 Cb 0.11 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 2zit n SER 525 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2zit n GLY 526 N 0.59 0.68 3.79 5.00 0.00 0.55 -5.00 105.19 110.79 2zit n GLY 526 Ca 0.19 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 2zit n GLY 526 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2zit s GLU 527 N -1.81 4.41 -0.01 1.61 2.02 -1.26 -4.82 118.70 118.85 2zit s GLU 527 Ca 0.00 0.98 -0.24 0.00 0.02 0.00 0.00 54.97 55.72 2zit s GLU 527 Cb 0.00 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 2zit s GLU 527 CO 0.00 0.60 0.75 -1.01 0.02 0.00 0.00 175.26 175.61 2zit s HIS 528 N -1.11 3.66 0.14 1.61 3.76 -1.26 -2.24 115.29 119.85 2zit s HIS 528 Ca 0.33 1.38 0.09 0.00 -0.15 0.00 0.00 55.06 56.71 2zit s HIS 528 Cb -0.22 -2.83 -0.04 0.00 1.11 0.00 0.00 32.58 30.61 2zit s HIS 528 CO 0.23 0.18 -0.21 0.42 -0.85 0.00 0.00 174.74 174.50 2zit s ILE 529 N 0.39 1.94 -0.05 0.60 -1.09 -0.37 -1.17 121.20 121.44 2zit s ILE 529 Ca 0.39 -1.79 -0.01 0.00 -2.23 0.00 0.00 60.65 57.01 2zit s ILE 529 Cb -0.19 -1.81 0.03 0.00 -1.58 0.00 0.00 42.46 38.90 2zit s ILE 529 CO 0.21 -0.14 0.02 -0.69 -1.23 0.00 0.00 174.94 173.11 2zit s VAL 530 N -1.54 0.18 0.23 2.92 1.01 -0.24 -2.75 120.40 120.22 2zit s VAL 530 Ca 0.13 0.20 0.11 0.00 0.00 0.00 0.00 61.98 62.43 2zit s VAL 530 Cb -0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 2zit s VAL 530 CO 0.06 0.21 -0.21 0.00 0.00 0.00 0.00 175.10 175.16 2zit s ALA 531 N 1.79 2.56 0.31 5.51 0.00 -0.68 -0.83 121.76 130.42 2zit s ALA 531 Ca 0.01 -1.74 0.06 0.00 0.00 0.00 0.00 51.96 50.29 2zit s ALA 531 Cb -0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2zit s ALA 531 CO -0.04 0.32 0.26 0.20 0.00 0.00 0.00 175.76 176.51 2zit s GLY 532 N -3.11 2.19 0.22 0.00 0.00 0.19 -2.53 107.32 104.28 2zit s GLY 532 Ca 0.25 -2.01 0.11 0.00 0.00 0.00 0.00 44.72 43.07 2zit s GLY 532 CO 0.12 -1.45 1.45 -0.84 0.00 0.00 0.00 173.10 172.38 2zit h THR 533 N 2.20 1.39 -2.05 0.90 2.02 -1.85 -2.44 112.91 113.08 2zit h THR 533 Ca -0.26 -2.64 -0.00 0.00 0.77 0.00 0.00 66.41 64.27 2zit h THR 533 Cb 1.23 2.48 -0.00 0.00 -1.74 0.00 0.00 68.15 70.12 2zit h THR 533 CO 0.39 0.72 0.01 0.61 0.37 0.00 0.00 175.52 177.62 2zit n GLY 534 N 0.90 2.18 0.05 2.16 0.00 -1.26 -4.61 105.19 104.61 2zit n GLY 534 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 2zit n GLY 534 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2zit h GLU 535 N 0.00 0.02 0.49 1.61 4.81 -1.94 -2.75 114.58 116.82 2zit h GLU 535 Ca -0.01 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2zit h GLU 535 Cb 0.05 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2zit h GLU 535 CO 0.02 0.11 -0.24 1.25 -0.73 0.00 0.00 179.01 179.42 2zit h LEU 536 N -0.08 -0.56 -0.85 1.64 5.85 -1.97 -2.47 115.31 116.88 2zit h LEU 536 Ca 0.00 -0.07 0.21 0.00 0.84 0.00 0.00 57.88 58.86 2zit h LEU 536 Cb 0.10 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.14 2zit h LEU 536 CO -0.00 -0.22 0.26 -0.74 -0.34 0.00 0.00 178.44 177.40 2zit h HIS 537 N -0.93 0.41 -0.40 1.25 2.76 -1.96 0.68 115.15 116.96 2zit h HIS 537 Ca -0.07 0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 2zit h HIS 537 Cb 0.60 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 2zit h HIS 537 CO 0.01 -0.14 -0.10 1.25 -1.30 0.00 0.00 177.93 177.65 2zit h LEU 538 N 0.27 0.67 0.20 0.26 5.85 -1.50 -3.04 115.31 118.04 2zit h LEU 538 Ca 0.52 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2zit h LEU 538 Cb 0.99 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2zit h LEU 538 CO -0.59 0.81 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.03 2zit h GLU 539 N 0.63 -0.43 0.16 1.25 4.57 0.84 -2.52 114.58 119.09 2zit h GLU 539 Ca 0.11 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2zit h GLU 539 Cb 0.54 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2zit h GLU 539 CO 0.03 -0.29 -0.13 0.82 -1.18 0.00 0.00 179.01 178.26 2zit h ILE 540 N -0.45 0.71 -0.58 2.32 5.03 -1.44 -2.57 117.51 120.53 2zit h ILE 540 Ca 0.00 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.91 2zit h ILE 540 Cb 0.42 0.71 -0.02 0.00 -3.03 0.00 0.00 36.82 34.89 2zit h ILE 540 CO -0.06 0.00 0.50 0.00 -0.68 0.00 0.00 178.15 177.91 2zit h LEU 542 N 0.00 0.28 0.38 0.00 3.38 -1.04 -3.10 115.31 115.22 2zit h LEU 542 Ca 0.28 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2zit h LEU 542 Cb 1.27 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2zit h LEU 542 CO -0.00 0.86 -0.26 1.56 0.09 0.00 0.00 178.44 180.69 2zit h GLN 543 N -0.29 -0.61 -0.52 1.13 4.20 -0.95 -2.60 115.11 115.47 2zit h GLN 543 Ca -0.01 0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.87 2zit h GLN 543 Cb 0.85 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 2zit h GLN 543 CO 0.04 -0.41 0.37 -0.44 -0.67 0.00 0.00 178.83 177.73 2zit h ASP 544 N -0.63 0.11 -0.17 1.46 5.19 -1.53 -1.43 116.42 119.42 2zit h ASP 544 Ca -0.04 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.24 2zit h ASP 544 Cb 0.54 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2zit h ASP 544 CO 0.02 0.06 -0.45 0.25 -3.12 0.00 0.00 179.24 176.00 2zit h LEU 545 N 0.12 0.69 -0.31 1.55 5.85 -1.40 0.71 115.31 122.52 2zit h LEU 545 Ca 0.25 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2zit h LEU 545 Cb 0.82 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2zit h LEU 545 CO -0.03 1.15 0.00 -0.08 -0.34 0.00 0.00 178.44 179.14 2zit h GLU 546 N 0.26 0.00 0.00 1.25 4.81 -0.92 -1.01 114.58 118.97 2zit h GLU 546 Ca -0.01 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 2zit h GLU 546 Cb 1.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2zit h GLU 546 CO 0.10 0.00 -1.66 0.72 -0.73 0.00 0.00 179.01 177.44 2zit n HIS 547 N -2.31 0.00 0.00 0.92 8.25 -0.80 -3.18 115.22 118.10 2zit n HIS 547 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2zit n HIS 547 Cb 0.36 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.00 2zit n HIS 547 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2zit n ASP 548 N -2.50 0.00 -0.27 0.41 8.00 0.21 -4.34 116.55 118.06 2zit n ASP 548 Ca -0.17 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.40 2zit n ASP 548 Cb 0.78 -0.03 0.19 0.00 -0.02 0.00 0.00 41.12 42.04 2zit n ASP 548 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 2zit h HIS 549 N 0.00 0.05 0.00 1.24 3.86 -1.58 -3.27 115.15 115.45 2zit h HIS 549 Ca 0.00 0.05 -0.26 0.00 -1.16 0.00 0.00 60.37 59.01 2zit h HIS 549 Cb 0.00 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 2zit h HIS 549 CO 0.00 -0.23 -1.79 0.00 0.86 0.00 0.00 177.93 176.77 2zit n ALA 550 N -2.89 1.67 -2.96 2.45 0.00 -0.39 -3.81 120.51 114.58 2zit n ALA 550 Ca 0.16 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 2zit n ALA 550 Cb 0.53 0.21 0.04 0.00 0.00 0.00 0.00 19.45 20.22 2zit n ALA 550 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zit n GLY 551 N 1.83 0.25 2.87 0.00 0.00 -1.16 -4.85 105.19 104.13 2zit n GLY 551 Ca -0.32 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2zit n GLY 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zit s VAL 552 N -3.15 -0.02 -0.37 1.61 1.01 -1.19 -4.96 120.40 113.33 2zit s VAL 552 Ca 0.23 0.06 -0.37 0.00 0.00 0.00 0.00 61.98 61.90 2zit s VAL 552 Cb -0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 36.38 36.09 2zit s VAL 552 CO 0.33 0.02 2.15 -2.65 0.00 0.00 0.00 175.10 174.95 2zit n PRO 553 N 3.36 0.88 -4.34 2.72 -0.02 -1.26 -4.78 135.00 131.56 2zit n PRO 553 Ca -0.16 0.25 -0.32 0.00 -2.02 0.00 0.00 63.50 61.25 2zit n PRO 553 Cb 0.57 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 2zit n PRO 553 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2zit s LEU 554 N 6.79 3.30 -0.30 2.45 1.43 -1.26 -1.60 118.68 129.49 2zit s LEU 554 Ca 1.11 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 54.07 2zit s LEU 554 Cb -1.00 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 43.35 2zit s LEU 554 CO 0.53 0.26 0.00 -0.75 0.23 0.00 0.00 176.35 176.63 2zit s LYS 555 N -1.65 2.36 0.00 1.70 2.20 0.67 -4.85 119.74 120.17 2zit s LYS 555 Ca 0.19 -1.33 0.00 0.00 -0.36 0.00 0.00 55.97 54.48 2zit s LYS 555 Cb -0.11 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 2zit s LYS 555 CO 0.10 -0.65 0.00 -0.89 -0.36 0.00 0.00 175.35 173.55 2zit n ILE 556 N 4.59 0.00 -3.44 5.43 2.08 -1.26 -2.62 119.36 124.13 2zit n ILE 556 Ca -0.12 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.06 2zit n ILE 556 Cb 0.43 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.29 2zit n ILE 556 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2zit s SER 557 N -1.00 -0.56 0.66 4.38 1.04 -1.25 -4.90 113.70 112.06 2zit s SER 557 Ca 0.00 0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.37 2zit s SER 557 Cb 0.00 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.64 2zit s SER 557 CO 0.00 -0.88 0.62 -2.65 0.98 0.00 0.00 173.24 171.31 2zit n PRO 558 N -0.16 0.47 -1.66 4.02 -0.02 -1.26 -4.74 135.00 131.65 2zit n PRO 558 Ca -0.17 0.20 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 2zit n PRO 558 Cb 0.63 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 2zit n PRO 558 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2zit s PRO 559 N -2.59 3.56 -0.14 0.52 0.04 -1.26 -4.85 135.00 130.28 2zit s PRO 559 Ca 0.69 2.25 -0.05 0.00 0.04 0.00 0.00 61.00 63.92 2zit s PRO 559 Cb -0.39 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 29.84 2zit s PRO 559 CO 0.54 -1.61 0.05 0.08 0.04 0.00 0.00 177.00 176.10 2zit s VAL 560 N 6.63 4.69 0.13 -0.36 1.01 -0.99 -4.98 120.40 126.52 2zit s VAL 560 Ca 0.94 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.59 2zit s VAL 560 Cb -0.36 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 2zit s VAL 560 CO 0.37 0.53 0.78 -0.69 0.00 0.00 0.00 175.10 176.09 2zit s VAL 561 N -0.20 4.48 0.02 2.92 1.01 -1.26 -1.79 120.40 125.58 2zit s VAL 561 Ca 0.07 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.46 2zit s VAL 561 Cb -0.12 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2zit s VAL 561 CO 0.02 0.47 0.94 0.00 0.00 0.00 0.00 175.10 176.52 2zit s ALA 562 N -0.78 3.21 0.43 5.51 0.00 0.35 -4.96 121.76 125.51 2zit s ALA 562 Ca 0.37 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.88 2zit s ALA 562 Cb -0.22 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 2zit s ALA 562 CO 0.25 -0.15 0.04 0.71 0.00 0.00 0.00 175.76 176.62 2zit s TYR 563 N 0.68 2.39 -0.01 0.00 2.02 -1.26 -4.47 117.35 116.69 2zit s TYR 563 Ca 0.49 -0.72 0.06 0.00 -0.37 0.00 0.00 57.07 56.53 2zit s TYR 563 Cb -0.21 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 2zit s TYR 563 CO 0.27 0.35 -0.18 1.03 -1.57 0.00 0.00 175.55 175.44 2zit s ARG 564 N -3.79 1.45 -0.23 -0.62 3.00 -0.91 -3.91 118.95 113.93 2zit s ARG 564 Ca 0.30 -0.69 -0.09 0.00 0.00 0.00 0.00 55.73 55.26 2zit s ARG 564 Cb 0.07 -1.42 -0.04 0.00 0.00 0.00 0.00 34.95 33.56 2zit s ARG 564 CO 0.16 0.39 0.11 -1.21 0.00 0.00 0.00 175.30 174.75 2zit s GLU 565 N -0.53 3.92 0.26 3.54 2.02 0.60 -0.32 118.70 128.19 2zit s GLU 565 Ca 0.07 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 54.72 2zit s GLU 565 Cb -0.07 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 2zit s GLU 565 CO -0.00 0.02 0.11 -0.08 0.02 0.00 0.00 175.26 175.32 2zit s THR 566 N 1.11 0.49 0.19 3.63 -1.32 -0.14 -1.00 115.64 118.61 2zit s THR 566 Ca 0.06 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.63 2zit s THR 566 Cb -0.14 -2.61 -0.04 0.00 -1.51 0.00 0.00 72.50 68.19 2zit s THR 566 CO 0.04 0.00 -0.10 0.68 -2.21 0.00 0.00 174.62 173.03 2zit s VAL 567 N -3.77 3.12 -0.02 5.08 -7.23 -1.26 -0.38 120.40 115.94 2zit s VAL 567 Ca 0.38 -1.73 0.11 0.00 -1.81 0.00 0.00 61.98 58.93 2zit s VAL 567 Cb 0.07 -2.55 -0.18 0.00 0.56 0.00 0.00 36.38 34.28 2zit s VAL 567 CO 0.14 -0.14 0.25 1.21 -0.31 0.00 0.00 175.10 176.24 2zit n GLU 568 N -0.03 0.40 -2.16 4.82 4.07 0.39 -4.47 120.64 123.67 2zit n GLU 568 Ca -0.10 -0.10 -0.03 0.00 -0.06 0.00 0.00 57.16 56.86 2zit n GLU 568 Cb 0.56 -1.27 -0.01 0.00 -0.06 0.00 0.00 31.44 30.66 2zit n GLU 568 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2zit n SER 569 N -1.91 -0.21 -4.82 4.31 3.41 -0.86 -4.80 113.62 108.74 2zit n SER 569 Ca -0.03 -1.37 -0.36 0.00 -0.26 0.00 0.00 58.87 56.86 2zit n SER 569 Cb 0.32 0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.62 2zit n SER 569 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2zit s GLU 570 N -2.18 4.24 0.01 4.33 2.12 -1.26 -4.02 118.70 121.93 2zit s GLU 570 Ca 0.06 0.88 -0.39 0.00 0.36 0.00 0.00 54.97 55.88 2zit s GLU 570 Cb 0.00 -2.80 -0.18 0.00 0.26 0.00 0.00 34.13 31.40 2zit s GLU 570 CO 0.04 0.35 1.25 0.43 -0.54 0.00 0.00 175.26 176.79 2zit n SER 571 N 0.55 0.93 -0.34 -1.70 7.64 -0.46 -4.60 113.62 115.64 2zit n SER 571 Ca -0.01 1.14 0.20 0.00 1.01 0.00 0.00 58.87 61.21 2zit n SER 571 Cb 0.51 -1.06 0.44 0.00 -1.01 0.00 0.00 64.21 63.09 2zit n SER 571 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2zit h SER 572 N 4.01 0.58 -5.18 6.43 0.87 -0.87 -3.43 113.55 115.96 2zit h SER 572 Ca -0.49 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.15 2zit h SER 572 Cb 1.38 0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 63.28 2zit h SER 572 CO 0.74 0.06 -0.10 0.00 -0.53 0.00 0.00 176.83 177.01 2zit s GLN 573 N -5.67 1.40 0.17 2.24 -2.07 -1.26 -5.13 119.66 109.34 2zit s GLN 573 Ca -0.10 -1.08 -0.32 0.00 -1.82 0.00 0.00 55.36 52.05 2zit s GLN 573 Cb 0.27 0.47 -0.11 0.00 -1.09 0.00 0.00 33.01 32.55 2zit s GLN 573 CO 0.80 -0.58 1.70 0.99 -1.32 0.00 0.00 175.29 176.88 2zit s THR 574 N -3.95 2.32 -0.01 3.63 2.01 -1.26 -4.93 115.64 113.46 2zit s THR 574 Ca 0.16 0.15 -0.22 0.00 0.31 0.00 0.00 61.69 62.09 2zit s THR 574 Cb -0.00 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 2zit s THR 574 CO 0.02 0.01 0.66 0.00 -0.69 0.00 0.00 174.62 174.62 2zit s ALA 575 N 1.56 3.43 0.06 7.40 0.00 0.21 -4.92 121.76 129.49 2zit s ALA 575 Ca 0.75 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2zit s ALA 575 Cb -0.47 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2zit s ALA 575 CO 0.33 0.08 -0.16 -1.17 0.00 0.00 0.00 175.76 174.84 2zit s LEU 576 N 0.06 2.23 -0.29 0.00 2.96 -1.26 -1.06 118.68 121.31 2zit s LEU 576 Ca 0.34 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.54 2zit s LEU 576 Cb -0.19 -0.68 0.13 0.00 0.50 0.00 0.00 46.19 45.95 2zit s LEU 576 CO 0.19 0.02 0.86 -0.55 -1.32 0.00 0.00 176.35 175.55 2zit s SER 577 N -1.47 -0.71 0.23 3.68 0.15 -1.15 -1.58 113.70 112.84 2zit s SER 577 Ca 0.02 1.09 0.08 0.00 0.70 0.00 0.00 55.95 57.85 2zit s SER 577 Cb -0.09 1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 65.59 2zit s SER 577 CO 0.02 -0.17 0.04 -1.59 1.20 0.00 0.00 173.24 172.74 2zit s LYS 578 N 1.70 2.48 0.78 5.44 -2.85 -1.26 -1.92 119.74 124.10 2zit s LYS 578 Ca -0.08 -1.21 -0.11 0.00 -1.00 0.00 0.00 55.97 53.56 2zit s LYS 578 Cb -0.05 -2.33 0.06 0.00 -2.06 0.00 0.00 37.83 33.45 2zit s LYS 578 CO -0.17 0.41 1.08 -1.54 0.10 0.00 0.00 175.35 175.23 2zit s SER 579 N -3.42 4.55 0.41 0.03 1.04 0.12 -4.82 113.70 111.61 2zit s SER 579 Ca 0.30 1.62 0.18 0.00 0.48 0.00 0.00 55.95 58.53 2zit s SER 579 Cb -0.08 -2.37 1.08 0.00 0.10 0.00 0.00 66.02 64.75 2zit s SER 579 CO 0.20 -1.97 1.83 -0.65 0.98 0.00 0.00 173.24 173.63 2zit h PRO 580 N -1.09 0.40 -0.00 4.02 0.11 -1.91 0.35 132.00 133.88 2zit h PRO 580 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2zit h PRO 580 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2zit h PRO 580 CO 0.55 0.27 0.00 0.27 -0.21 0.00 0.00 178.00 178.87 2zit n ASN 581 N -4.54 0.05 -0.64 -2.05 2.04 -1.26 -4.89 115.26 103.96 2zit n ASN 581 Ca 0.21 -1.12 -0.08 0.00 -0.44 0.00 0.00 54.58 53.14 2zit n ASN 581 Cb 0.75 -0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.96 2zit n ASN 581 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2zit n LYS 582 N -0.91 -1.09 -0.03 -3.83 4.76 0.12 -4.84 118.16 112.35 2zit n LYS 582 Ca 0.21 0.73 0.02 0.00 -2.87 0.00 0.00 58.31 56.40 2zit n LYS 582 Cb 0.11 -4.77 -0.10 0.00 -1.84 0.00 0.00 35.03 28.43 2zit n LYS 582 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2zit n HIS 583 N -2.50 0.00 -4.36 2.13 8.25 -1.26 -4.91 115.22 112.57 2zit n HIS 583 Ca -0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.04 2zit n HIS 583 Cb 0.40 -0.41 -0.14 0.00 1.12 0.00 0.00 29.99 30.97 2zit n HIS 583 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2zit s ASN 584 N -3.87 4.30 0.23 0.41 0.01 -1.26 -4.00 114.94 110.75 2zit s ASN 584 Ca -0.05 -0.30 0.09 0.00 -0.71 0.00 0.00 52.86 51.89 2zit s ASN 584 Cb 0.06 -1.70 -0.04 0.00 0.41 0.00 0.00 41.25 39.98 2zit s ASN 584 CO 0.52 0.10 -0.05 -0.13 -1.51 0.00 0.00 177.10 176.02 2zit s ARG 585 N 0.77 2.18 -0.11 -0.60 3.00 -0.08 0.10 118.95 124.21 2zit s ARG 585 Ca -0.03 -1.36 -0.04 0.00 0.00 0.00 0.00 55.73 54.31 2zit s ARG 585 Cb -0.15 -2.15 0.05 0.00 0.00 0.00 0.00 34.95 32.70 2zit s ARG 585 CO 0.02 0.40 0.14 0.42 0.00 0.00 0.00 175.30 176.27 2zit s ILE 586 N -2.05 -0.22 -0.13 1.52 1.01 -0.81 -2.63 121.20 117.89 2zit s ILE 586 Ca 0.29 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 61.06 2zit s ILE 586 Cb -0.07 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 2zit s ILE 586 CO 0.18 0.01 0.10 -0.31 0.00 0.00 0.00 174.94 174.92 2zit s TYR 587 N 2.25 3.43 0.25 3.97 2.02 -0.10 -2.94 117.35 126.23 2zit s TYR 587 Ca 0.04 0.37 -0.20 0.00 -0.37 0.00 0.00 57.07 56.91 2zit s TYR 587 Cb -0.13 -1.96 0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2zit s TYR 587 CO -0.07 0.54 0.65 -0.48 -1.57 0.00 0.00 175.55 174.62 2zit s LEU 588 N -0.61 -0.20 0.03 -1.29 0.05 -0.23 -0.90 118.68 115.53 2zit s LEU 588 Ca 0.12 -0.54 0.01 0.00 0.05 0.00 0.00 54.13 53.77 2zit s LEU 588 Cb -0.12 2.53 -0.02 0.00 -2.05 0.00 0.00 46.19 46.53 2zit s LEU 588 CO 0.02 -1.23 -0.05 -0.54 -0.55 0.00 0.00 176.35 174.00 2zit s LYS 589 N -3.90 0.41 0.13 1.48 1.02 -0.47 -0.62 119.74 117.78 2zit s LYS 589 Ca 0.11 -0.69 0.07 0.00 0.02 0.00 0.00 55.97 55.48 2zit s LYS 589 Cb -0.04 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 2zit s LYS 589 CO 0.03 -0.01 -0.07 0.00 -0.92 0.00 0.00 175.35 174.38 2zit s ALA 590 N -1.48 3.04 -0.01 5.17 0.00 -1.26 -0.19 121.76 127.04 2zit s ALA 590 Ca -0.13 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.34 2zit s ALA 590 Cb -0.10 -0.93 0.04 0.00 0.00 0.00 0.00 23.12 22.14 2zit s ALA 590 CO -0.01 0.59 0.45 -1.83 0.00 0.00 0.00 175.76 174.97 2zit s GLU 591 N -2.46 0.86 0.56 0.00 -1.05 0.32 -1.35 118.70 115.57 2zit s GLU 591 Ca 0.24 -0.10 -0.21 0.00 -0.15 0.00 0.00 54.97 54.74 2zit s GLU 591 Cb -0.10 0.39 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 2zit s GLU 591 CO 0.15 -0.27 1.33 -2.30 0.95 0.00 0.00 175.26 175.12 2zit n PRO 592 N 0.95 1.59 -3.94 -4.83 -0.02 -1.26 -0.82 135.00 126.67 2zit n PRO 592 Ca -0.20 0.59 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 2zit n PRO 592 Cb 0.57 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.43 2zit n PRO 592 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2zit s ILE 593 N -1.31 5.05 0.25 4.25 1.01 -0.02 -4.71 121.20 125.71 2zit s ILE 593 Ca 0.73 0.05 -0.31 0.00 0.00 0.00 0.00 60.65 61.12 2zit s ILE 593 Cb -0.42 -3.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.67 2zit s ILE 593 CO 0.48 0.50 1.40 0.47 0.00 0.00 0.00 174.94 177.80 2zit n ASP 594 N 3.09 2.78 -0.34 3.58 8.00 -1.26 -4.76 116.55 127.64 2zit n ASP 594 Ca -0.17 1.15 0.15 0.00 0.71 0.00 0.00 54.79 56.62 2zit n ASP 594 Cb 0.53 -1.44 0.35 0.00 -0.02 0.00 0.00 41.12 40.54 2zit n ASP 594 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2zit h GLU 595 N 4.13 0.61 -0.94 -1.24 4.39 -1.97 0.25 114.58 119.81 2zit h GLU 595 Ca -0.45 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.31 2zit h GLU 595 Cb 1.27 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.72 2zit h GLU 595 CO 0.75 0.40 0.60 1.49 -1.16 0.00 0.00 179.01 181.10 2zit h GLU 596 N 0.63 0.93 -0.03 2.33 4.81 -1.99 0.11 114.58 121.38 2zit h GLU 596 Ca 0.60 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.62 2zit h GLU 596 Cb 1.06 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 30.24 2zit h GLU 596 CO -0.44 0.61 -0.59 0.28 -0.73 0.00 0.00 179.01 178.14 2zit h VAL 597 N 0.96 1.41 -0.31 0.32 2.07 -0.91 -2.04 116.25 117.74 2zit h VAL 597 Ca 0.44 -2.02 0.01 0.00 0.82 0.00 0.00 66.70 65.95 2zit h VAL 597 Cb 0.40 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2zit h VAL 597 CO -0.20 0.59 0.17 0.28 0.02 0.00 0.00 177.57 178.44 2zit h SER 598 N -0.04 0.27 -0.91 0.57 0.02 -0.71 0.18 113.55 112.95 2zit h SER 598 Ca -0.07 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2zit h SER 598 Cb 1.28 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 2zit h SER 598 CO 0.12 0.20 0.58 -0.07 -1.14 0.00 0.00 176.83 176.52 2zit h LEU 599 N 0.36 0.96 -0.68 5.07 3.38 -0.85 -0.78 115.31 122.77 2zit h LEU 599 Ca 0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2zit h LEU 599 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2zit h LEU 599 CO -0.06 0.65 0.30 0.00 0.09 0.00 0.00 178.44 179.41 2zit h ALA 600 N 1.39 0.88 -0.24 1.53 0.00 -0.54 0.20 119.26 122.48 2zit h ALA 600 Ca 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2zit h ALA 600 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2zit h ALA 600 CO -0.13 0.48 0.04 0.82 0.00 0.00 0.00 179.25 180.45 2zit h ILE 601 N 0.96 1.23 -0.81 0.00 2.04 -0.14 -1.26 117.51 119.52 2zit h ILE 601 Ca 0.23 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 2zit h ILE 601 Cb 0.17 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 2zit h ILE 601 CO -0.02 0.24 0.35 -0.33 0.00 0.00 0.00 178.15 178.39 2zit h GLU 602 N 0.20 1.20 -0.00 2.37 5.08 -0.94 -2.44 114.58 120.05 2zit h GLU 602 Ca 0.07 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2zit h GLU 602 Cb 0.32 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2zit h GLU 602 CO 0.00 0.95 0.00 0.09 -1.00 0.00 0.00 179.01 179.06 2zit n ASN 603 N -4.28 0.04 0.00 1.42 3.02 0.68 -4.88 115.26 111.25 2zit n ASN 603 Ca 0.08 -1.63 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 2zit n ASN 603 Cb 0.17 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 2zit n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zit n GLY 604 N 0.69 2.93 0.32 7.41 0.00 -0.92 -4.82 105.19 110.80 2zit n GLY 604 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 2zit n GLY 604 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2zit h ILE 605 N 0.00 0.27 -2.87 -0.61 2.04 -1.49 -3.13 117.51 111.72 2zit h ILE 605 Ca 0.00 0.00 -0.70 0.00 1.00 0.00 0.00 64.86 65.16 2zit h ILE 605 Cb 0.00 0.27 -0.19 0.00 -0.74 0.00 0.00 36.82 36.16 2zit h ILE 605 CO 0.00 0.00 0.33 -0.63 0.00 0.00 0.00 178.15 177.85 2zit s ILE 606 N -6.03 4.83 -0.16 -0.67 1.01 -1.06 -5.00 121.20 114.12 2zit s ILE 606 Ca -0.15 -1.22 -0.08 0.00 0.00 0.00 0.00 60.65 59.20 2zit s ILE 606 Cb 0.14 -4.58 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 2zit s ILE 606 CO 0.68 -1.25 0.11 0.21 0.00 0.00 0.00 174.94 174.69 2zit s ASN 607 N 3.46 6.06 0.57 3.58 3.84 -1.19 -4.46 114.94 126.81 2zit s ASN 607 Ca 0.18 0.26 0.28 0.00 0.21 0.00 0.00 52.86 53.80 2zit s ASN 607 Cb -0.17 -2.01 1.73 0.00 -0.55 0.00 0.00 41.25 40.25 2zit s ASN 607 CO 0.01 0.26 2.22 -0.65 -2.79 0.00 0.00 177.10 176.16 2zit h PRO 608 N 6.07 0.00 0.00 0.43 0.11 -1.91 -2.57 132.00 134.13 2zit h PRO 608 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2zit h PRO 608 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2zit h PRO 608 CO 0.68 0.02 -0.77 0.54 -0.21 0.00 0.00 178.00 178.26 2zit n ARG 609 N -3.87 0.08 -0.70 1.05 1.74 -1.26 -4.95 116.66 108.76 2zit n ARG 609 Ca -0.03 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 2zit n ARG 609 Cb 0.11 -1.53 0.21 0.00 -1.02 0.00 0.00 32.46 30.23 2zit n ARG 609 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2zit s ASP 610 N -3.27 1.87 0.26 0.55 1.01 -0.97 -4.95 116.67 111.17 2zit s ASP 610 Ca 0.08 1.67 -0.30 0.00 0.71 0.00 0.00 52.55 54.72 2zit s ASP 610 Cb 0.16 -2.34 -0.10 0.00 1.01 0.00 0.00 42.92 41.66 2zit s ASP 610 CO 0.77 -3.67 1.43 -0.62 0.21 0.00 0.00 175.17 173.29 2zit s ASP 611 N -2.72 6.65 0.37 0.27 2.15 -1.26 -4.91 116.67 117.22 2zit s ASP 611 Ca 0.67 2.69 0.10 0.00 0.43 0.00 0.00 52.55 56.44 2zit s ASP 611 Cb -0.23 -2.63 0.72 0.00 -0.30 0.00 0.00 42.92 40.48 2zit s ASP 611 CO 0.62 -0.69 1.85 2.19 -0.17 0.00 0.00 175.17 178.97 2zit h PHE 612 N 4.76 0.15 -0.07 -5.34 -5.15 -1.95 -1.30 116.94 108.03 2zit h PHE 612 Ca -0.46 -0.03 -0.07 0.00 -0.20 0.00 0.00 57.97 57.21 2zit h PHE 612 Cb 1.22 -0.04 0.00 0.00 0.22 0.00 0.00 35.95 37.35 2zit h PHE 612 CO 0.59 0.40 -0.22 0.87 -2.00 0.00 0.00 178.31 177.96 2zit h LYS 613 N 0.12 0.28 0.38 6.09 1.57 -1.93 -1.72 116.57 121.36 2zit h LYS 613 Ca 0.02 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2zit h LYS 613 Cb 0.55 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 2zit h LYS 613 CO 0.04 0.82 -0.23 0.00 -0.57 0.00 0.00 179.45 179.50 2zit h ALA 614 N 0.46 -0.58 -0.72 3.86 0.00 -1.92 -1.11 119.26 119.25 2zit h ALA 614 Ca -0.01 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.93 2zit h ALA 614 Cb 0.84 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 2zit h ALA 614 CO 0.05 -0.84 0.25 -0.09 0.00 0.00 0.00 179.25 178.62 2zit h ARG 615 N -0.59 0.37 -0.61 0.00 2.43 -1.32 -1.53 114.38 113.14 2zit h ARG 615 Ca -0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 2zit h ARG 615 Cb 0.48 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2zit h ARG 615 CO 0.04 0.25 0.25 0.00 -1.51 0.00 0.00 179.97 179.00 2zit h ALA 616 N 1.54 0.79 -0.32 2.80 0.00 -0.98 0.42 119.26 123.51 2zit h ALA 616 Ca 0.40 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2zit h ALA 616 Cb 0.61 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2zit h ALA 616 CO -0.42 0.39 0.22 -0.09 0.00 0.00 0.00 179.25 179.35 2zit h ARG 617 N 0.84 0.34 -0.02 0.00 9.65 -0.27 0.22 114.38 125.14 2zit h ARG 617 Ca 0.20 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 2zit h ARG 617 Cb 0.18 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2zit h ARG 617 CO -0.02 0.22 -0.06 0.82 2.80 0.00 0.00 179.97 183.74 2zit h ILE 618 N 0.35 1.50 -0.27 1.20 2.04 -0.38 -0.90 117.51 121.04 2zit h ILE 618 Ca 0.13 -1.54 -0.02 0.00 1.00 0.00 0.00 64.86 64.43 2zit h ILE 618 Cb 0.09 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2zit h ILE 618 CO -0.03 0.41 0.10 0.24 0.00 0.00 0.00 178.15 178.87 2zit h MET 619 N -0.55 0.38 0.00 2.37 2.86 -0.49 0.77 114.93 120.28 2zit h MET 619 Ca -0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2zit h MET 619 Cb 0.70 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2zit h MET 619 CO 0.01 0.33 -0.06 0.00 1.06 0.00 0.00 176.91 178.25 2zit h ALA 620 N 1.73 0.00 -0.09 6.32 0.00 -0.60 -2.29 119.26 124.33 2zit h ALA 620 Ca 0.10 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 2zit h ALA 620 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2zit h ALA 620 CO -0.01 -0.04 -0.76 -0.44 0.00 0.00 0.00 179.25 178.01 2zit h ASP 621 N -0.77 0.61 -0.01 0.00 3.32 -1.04 -3.08 116.42 115.45 2zit h ASP 621 Ca -0.01 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2zit h ASP 621 Cb 0.89 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2zit h ASP 621 CO 0.01 1.17 -0.40 0.47 -1.72 0.00 0.00 179.24 178.77 2zit n ASP 622 N -3.86 1.43 -0.70 6.45 8.00 0.25 -4.61 116.55 123.52 2zit n ASP 622 Ca -0.05 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.23 2zit n ASP 622 Cb 0.73 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 42.39 2zit n ASP 622 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2zit n TYR 623 N -0.35 0.00 -4.00 1.24 4.01 -0.91 -5.01 117.16 112.14 2zit n TYR 623 Ca 0.06 -0.11 -0.31 0.00 -0.16 0.00 0.00 57.90 57.37 2zit n TYR 623 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.35 2zit n TYR 623 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2zit n GLY 624 N 0.09 -0.46 3.87 2.72 0.00 -1.17 -4.88 105.19 105.36 2zit n GLY 624 Ca -0.00 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2zit n GLY 624 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2zit s TRP 625 N -3.35 3.61 -0.28 1.61 0.52 -0.93 -5.00 118.94 115.13 2zit s TRP 625 Ca 0.62 0.63 -0.28 0.00 0.02 0.00 0.00 56.10 57.09 2zit s TRP 625 Cb -0.32 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 29.95 2zit s TRP 625 CO 0.86 0.66 1.82 -0.51 0.02 0.00 0.00 176.95 179.81 2zit s ASP 626 N -1.36 5.94 0.63 2.95 -0.00 -1.26 -4.11 116.67 119.47 2zit s ASP 626 Ca 0.22 1.48 0.28 0.00 -0.00 0.00 0.00 52.55 54.53 2zit s ASP 626 Cb -0.13 -2.53 1.45 0.00 -0.00 0.00 0.00 42.92 41.71 2zit s ASP 626 CO 0.11 -1.64 1.84 1.62 -0.00 0.00 0.00 175.17 177.11 2zit h VAL 627 N 6.70 0.16 -0.09 -1.27 3.04 -1.93 0.22 116.25 123.07 2zit h VAL 627 Ca -0.35 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.32 2zit h VAL 627 Cb 1.18 0.59 -0.00 0.00 -2.01 0.00 0.00 31.29 31.04 2zit h VAL 627 CO 1.01 0.00 -0.01 0.71 -1.01 0.00 0.00 177.57 178.27 2zit h THR 628 N 0.00 1.27 -0.54 3.17 1.35 -1.96 -2.72 112.91 113.48 2zit h THR 628 Ca 0.11 -0.88 -0.09 0.00 -0.55 0.00 0.00 66.41 65.00 2zit h THR 628 Cb 1.02 1.68 -0.02 0.00 -1.73 0.00 0.00 68.15 69.10 2zit h THR 628 CO -0.00 0.25 0.00 0.44 -0.25 0.00 0.00 175.52 175.96 2zit h ASP 629 N -0.14 0.93 -0.08 5.36 3.32 -0.99 -3.09 116.42 121.74 2zit h ASP 629 Ca 0.02 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 2zit h ASP 629 Cb 0.39 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2zit h ASP 629 CO 0.01 1.01 0.01 0.00 -1.72 0.00 0.00 179.24 178.55 2zit h ALA 630 N 0.95 1.75 0.00 3.45 0.00 -1.36 -0.62 119.26 123.44 2zit h ALA 630 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2zit h ALA 630 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2zit h ALA 630 CO 0.03 0.19 0.00 0.54 0.00 0.00 0.00 179.25 180.01 2zit n ARG 631 N -4.43 0.20 -1.01 0.00 1.74 -1.03 -3.47 116.66 108.67 2zit n ARG 631 Ca -0.01 0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 57.11 2zit n ARG 631 Cb 0.15 -1.74 0.19 0.00 -1.02 0.00 0.00 32.46 30.04 2zit n ARG 631 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2zit n LYS 632 N -2.09 2.03 -2.32 5.56 5.02 -0.24 -4.96 118.16 121.15 2zit n LYS 632 Ca 0.06 -3.11 -0.42 0.00 -2.02 0.00 0.00 58.31 52.81 2zit n LYS 632 Cb 0.41 -1.98 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 2zit n LYS 632 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2zit s ILE 633 N -3.28 3.97 -0.05 -0.18 1.01 -1.21 -1.55 121.20 119.91 2zit s ILE 633 Ca 0.50 1.30 0.07 0.00 0.00 0.00 0.00 60.65 62.52 2zit s ILE 633 Cb 0.44 -3.84 -0.24 0.00 0.01 0.00 0.00 42.46 38.83 2zit s ILE 633 CO 0.05 -0.03 0.64 -0.50 0.00 0.00 0.00 174.94 175.10 2zit h TRP 634 N 7.86 0.14 -1.46 3.97 4.06 -1.20 -3.49 115.95 125.84 2zit h TRP 634 Ca -0.35 -0.10 0.29 0.00 2.06 0.00 0.00 58.89 60.78 2zit h TRP 634 Cb 1.16 -0.01 -0.16 0.00 -1.00 0.00 0.00 29.16 29.16 2zit h TRP 634 CO 0.76 1.20 0.82 0.00 -3.56 0.00 0.00 178.44 177.67 2zit s PHE 636 N -2.42 2.72 -0.12 0.00 0.08 -1.26 -2.73 117.98 114.25 2zit s PHE 636 Ca 0.12 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 2zit s PHE 636 Cb 0.02 -2.27 0.11 0.00 -0.57 0.00 0.00 43.02 40.32 2zit s PHE 636 CO -0.04 -0.28 0.93 0.20 -0.10 0.00 0.00 175.22 175.93 2zit s GLY 637 N -4.24 -0.35 0.62 4.36 0.00 -0.70 -3.88 107.32 103.14 2zit s GLY 637 Ca 0.51 1.74 -0.06 0.00 0.00 0.00 0.00 44.72 46.92 2zit s GLY 637 CO 0.30 0.89 0.85 -1.55 0.00 0.00 0.00 173.10 173.60 2zit n PRO 638 N 0.58 -0.41 -1.29 2.90 -0.04 -1.26 -2.54 135.00 132.93 2zit n PRO 638 Ca -0.11 -1.78 -0.10 0.00 -0.04 0.00 0.00 63.50 61.47 2zit n PRO 638 Cb 0.58 -0.73 -0.04 0.00 -0.04 0.00 0.00 33.50 33.27 2zit n PRO 638 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2zit n ASP 639 N -3.26 -5.29 -0.07 3.54 8.00 -1.26 -1.68 116.55 116.53 2zit n ASP 639 Ca 0.12 0.25 -0.01 0.00 0.71 0.00 0.00 54.79 55.86 2zit n ASP 639 Cb 0.43 -3.66 -0.00 0.00 -0.02 0.00 0.00 41.12 37.87 2zit n ASP 639 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2zit n GLY 640 N -0.31 0.37 0.00 0.44 0.00 -1.25 -4.75 105.19 99.70 2zit n GLY 640 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2zit n GLY 640 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2zit n ASN 641 N -0.31 0.00 -4.79 1.61 0.23 -1.03 -4.30 115.26 106.66 2zit n ASN 641 Ca -0.01 -1.00 -0.30 0.00 -0.53 0.00 0.00 54.58 52.74 2zit n ASN 641 Cb 0.21 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.01 2zit n ASN 641 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2zit s GLY 642 N 0.00 1.63 0.00 4.83 0.00 -0.67 -4.77 107.32 108.33 2zit s GLY 642 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 2zit s GLY 642 CO 0.00 0.27 1.80 -1.55 0.00 0.00 0.00 173.10 173.63 2zit n PRO 643 N -3.46 0.90 -4.03 2.90 -0.04 -1.21 -3.04 135.00 127.02 2zit n PRO 643 Ca 0.07 -0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 63.07 2zit n PRO 643 Cb 0.56 -1.54 -0.13 0.00 -0.04 0.00 0.00 33.50 32.34 2zit n PRO 643 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2zit s ASN 644 N 2.25 0.43 0.05 3.54 0.01 -1.05 -1.70 114.94 118.46 2zit s ASN 644 Ca 0.22 -0.20 0.04 0.00 -0.71 0.00 0.00 52.86 52.21 2zit s ASN 644 Cb 0.11 -0.01 -0.02 0.00 0.41 0.00 0.00 41.25 41.73 2zit s ASN 644 CO 0.00 -0.05 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.66 2zit s LEU 645 N -0.52 2.22 -0.19 0.60 1.43 -0.88 -1.72 118.68 119.62 2zit s LEU 645 Ca -0.03 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2zit s LEU 645 Cb -0.04 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.75 2zit s LEU 645 CO -0.00 -0.07 -0.12 -0.69 0.23 0.00 0.00 176.35 175.70 2zit s VAL 646 N -1.10 2.76 -0.19 -1.59 1.01 -1.11 -0.16 120.40 120.03 2zit s VAL 646 Ca -0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2zit s VAL 646 Cb -0.09 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2zit s VAL 646 CO 0.01 0.48 -0.02 -0.63 0.00 0.00 0.00 175.10 174.95 2zit s ILE 647 N 1.26 3.80 -0.56 2.22 -1.09 0.14 -0.56 121.20 126.41 2zit s ILE 647 Ca 0.03 -0.37 -0.28 0.00 -2.23 0.00 0.00 60.65 57.80 2zit s ILE 647 Cb -0.14 -2.70 0.03 0.00 -1.58 0.00 0.00 42.46 38.07 2zit s ILE 647 CO -0.06 0.45 1.17 -0.62 -1.23 0.00 0.00 174.94 174.65 2zit s ASP 648 N 0.90 6.48 -0.22 3.58 2.15 -0.60 -0.96 116.67 128.00 2zit s ASP 648 Ca 0.00 0.17 0.13 0.00 0.43 0.00 0.00 52.55 53.28 2zit s ASP 648 Cb -0.14 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.37 2zit s ASP 648 CO 0.02 -1.43 1.33 0.00 -0.17 0.00 0.00 175.17 174.92 2zit n GLN 649 N 8.29 1.88 -2.45 4.34 6.02 -0.31 -4.90 117.38 130.25 2zit n GLN 649 Ca 0.09 -3.02 -0.31 0.00 -0.01 0.00 0.00 57.00 53.75 2zit n GLN 649 Cb 0.49 -1.71 -0.03 0.00 1.02 0.00 0.00 30.24 30.01 2zit n GLN 649 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2zit s THR 650 N -3.09 4.63 -0.20 5.09 -4.23 -1.11 -4.64 115.64 112.09 2zit s THR 650 Ca 0.40 1.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.93 2zit s THR 650 Cb 0.36 -3.75 0.03 0.00 1.34 0.00 0.00 72.50 70.48 2zit s THR 650 CO 0.01 -0.71 -0.18 -0.54 -0.54 0.00 0.00 174.62 172.66 2zit s LYS 651 N -4.17 2.81 -0.74 3.99 -0.14 -1.26 -4.88 119.74 115.35 2zit s LYS 651 Ca 0.56 -0.95 -0.05 0.00 -1.36 0.00 0.00 55.97 54.17 2zit s LYS 651 Cb -0.10 -2.65 0.01 0.00 -1.68 0.00 0.00 37.83 33.41 2zit s LYS 651 CO 0.34 -0.30 0.64 0.00 -0.76 0.00 0.00 175.35 175.27 2zit n ALA 652 N 4.58 -2.68 -4.02 5.17 0.00 -1.26 -4.98 120.51 117.32 2zit n ALA 652 Ca -0.19 -0.06 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 2zit n ALA 652 Cb 0.48 -1.24 -0.15 0.00 0.00 0.00 0.00 19.45 18.54 2zit n ALA 652 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2zit s VAL 653 N -2.80 2.05 0.55 0.00 1.01 -1.26 -5.11 120.40 114.83 2zit s VAL 653 Ca 0.06 -1.80 -0.21 0.00 0.00 0.00 0.00 61.98 60.03 2zit s VAL 653 Cb -0.01 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 2zit s VAL 653 CO 0.85 -0.26 1.25 -1.58 0.00 0.00 0.00 175.10 175.36 2zit s GLN 654 N 1.10 3.19 0.00 2.72 0.74 -1.26 -2.75 119.66 123.41 2zit s GLN 654 Ca -0.01 1.95 0.00 0.00 0.05 0.00 0.00 55.36 57.35 2zit s GLN 654 Cb -0.19 -2.14 0.00 0.00 1.10 0.00 0.00 33.01 31.78 2zit s GLN 654 CO -0.07 -1.06 0.00 0.66 -0.55 0.00 0.00 175.29 174.27 2zit n TYR 655 N -1.17 0.00 -0.25 1.67 4.01 -1.26 -4.88 117.16 115.28 2zit n TYR 655 Ca 0.11 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.91 2zit n TYR 655 Cb 0.48 -0.57 0.19 0.00 -0.31 0.00 0.00 39.34 39.13 2zit n TYR 655 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2zit h LEU 656 N 0.00 0.10 -1.82 7.72 5.85 -1.97 0.28 115.31 125.47 2zit h LEU 656 Ca 0.00 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2zit h LEU 656 Cb 0.02 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2zit h LEU 656 CO 0.00 0.00 -0.15 1.12 -0.34 0.00 0.00 178.44 179.08 2zit h HIS 657 N 0.32 0.00 0.00 1.25 2.07 -1.90 -2.50 115.15 114.39 2zit h HIS 657 Ca 0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.94 2zit h HIS 657 Cb 0.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.68 2zit h HIS 657 CO -0.23 0.15 0.00 0.39 -3.07 0.00 0.00 177.93 175.17 2zit n GLU 658 N -3.77 0.08 -0.03 5.12 1.02 0.98 -1.95 120.64 122.09 2zit n GLU 658 Ca -0.02 0.30 0.04 0.00 -0.02 0.00 0.00 57.16 57.46 2zit n GLU 658 Cb 0.25 -1.65 0.05 0.00 -0.02 0.00 0.00 31.44 30.07 2zit n GLU 658 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2zit n ILE 659 N -1.80 0.24 -0.26 -3.67 -5.35 -0.95 -4.73 119.36 102.85 2zit n ILE 659 Ca 0.03 -0.62 -0.05 0.00 -0.27 0.00 0.00 62.75 61.84 2zit n ILE 659 Cb 0.21 0.99 0.06 0.00 -1.74 0.00 0.00 39.64 39.16 2zit n ILE 659 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2zit h LYS 660 N 1.37 0.94 -0.62 6.28 3.64 -1.34 0.28 116.57 127.12 2zit h LYS 660 Ca 0.00 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2zit h LYS 660 Cb 0.38 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2zit h LYS 660 CO 0.00 0.63 0.22 -0.44 -2.27 0.00 0.00 179.45 177.58 2zit h ASP 661 N 0.97 0.85 -0.24 4.20 3.32 -1.85 -0.01 116.42 123.66 2zit h ASP 661 Ca 0.26 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 2zit h ASP 661 Cb -0.11 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 2zit h ASP 661 CO -0.06 0.78 -0.26 0.28 -1.72 0.00 0.00 179.24 178.27 2zit h SER 662 N 0.90 0.65 -0.29 6.45 0.02 -1.72 -1.96 113.55 117.59 2zit h SER 662 Ca 0.21 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2zit h SER 662 Cb 0.22 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2zit h SER 662 CO -0.01 1.00 0.18 0.58 -1.14 0.00 0.00 176.83 177.44 2zit h VAL 663 N 0.31 1.09 -0.30 2.27 2.07 -0.67 -1.48 116.25 119.55 2zit h VAL 663 Ca 0.04 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2zit h VAL 663 Cb 0.82 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2zit h VAL 663 CO 0.06 0.09 0.17 0.58 0.02 0.00 0.00 177.57 178.49 2zit h VAL 664 N 0.38 1.12 -0.12 2.57 2.07 -1.01 -1.69 116.25 119.57 2zit h VAL 664 Ca 0.11 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2zit h VAL 664 Cb -0.01 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2zit h VAL 664 CO -0.02 0.12 -0.14 0.00 0.02 0.00 0.00 177.57 177.55 2zit h ALA 665 N 1.05 -0.06 -0.68 1.67 0.00 -1.20 -1.86 119.26 118.17 2zit h ALA 665 Ca 0.11 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2zit h ALA 665 Cb 0.04 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2zit h ALA 665 CO -0.02 -0.59 0.30 0.00 0.00 0.00 0.00 179.25 178.94 2zit h ALA 666 N 0.89 0.93 -0.05 0.00 0.00 -1.08 -1.53 119.26 118.42 2zit h ALA 666 Ca 0.09 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2zit h ALA 666 Cb 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2zit h ALA 666 CO -0.22 -0.13 -0.11 0.35 0.00 0.00 0.00 179.25 179.14 2zit h PHE 667 N 0.50 0.07 -0.49 0.00 3.57 -0.55 -0.56 116.94 119.48 2zit h PHE 667 Ca 0.35 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 2zit h PHE 667 Cb 0.42 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 2zit h PHE 667 CO -0.14 0.18 -0.08 1.96 -2.23 0.00 0.00 178.31 178.00 2zit h GLN 668 N 0.07 0.87 0.08 1.11 1.08 -0.55 -1.69 115.11 116.08 2zit h GLN 668 Ca 0.01 -0.29 -0.25 0.00 -1.45 0.00 0.00 58.65 56.67 2zit h GLN 668 Cb 0.24 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2zit h GLN 668 CO 0.02 0.92 -1.12 -1.49 -0.95 0.00 0.00 178.83 176.21 2zit h TRP 669 N 0.79 0.50 -0.59 2.96 4.06 -1.23 -2.26 115.95 120.19 2zit h TRP 669 Ca 0.14 -0.33 -0.05 0.00 2.06 0.00 0.00 58.89 60.71 2zit h TRP 669 Cb 0.59 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.69 2zit h TRP 669 CO 0.03 1.21 0.17 0.00 -3.56 0.00 0.00 178.44 176.29 2zit h ALA 670 N 0.67 0.77 0.00 1.49 0.00 -1.01 -2.26 119.26 118.92 2zit h ALA 670 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2zit h ALA 670 Cb 1.81 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2zit h ALA 670 CO 0.18 0.45 -0.15 1.79 0.00 0.00 0.00 179.25 181.53 2zit h THR 671 N 0.84 0.00 -0.17 0.00 1.35 -1.39 -3.27 112.91 110.27 2zit h THR 671 Ca 0.19 -0.78 -0.19 0.00 -0.55 0.00 0.00 66.41 65.08 2zit h THR 671 Cb 0.31 1.69 0.01 0.00 -1.73 0.00 0.00 68.15 68.43 2zit h THR 671 CO -0.00 0.00 -0.65 0.50 -0.25 0.00 0.00 175.52 175.12 2zit h LYS 672 N 0.00 0.73 -3.07 4.72 1.63 -1.08 0.17 116.57 119.67 2zit h LYS 672 Ca 0.00 -0.56 -0.51 0.00 -0.85 0.00 0.00 60.65 58.73 2zit h LYS 672 Cb 0.89 0.11 -0.40 0.00 -0.60 0.00 0.00 32.23 32.22 2zit h LYS 672 CO 0.00 1.18 -0.76 -1.21 -3.45 0.00 0.00 179.45 175.21 2zit s GLU 673 N -3.82 0.27 0.83 1.90 2.02 -0.88 -3.15 118.70 115.88 2zit s GLU 673 Ca -0.11 -0.41 -0.11 0.00 0.02 0.00 0.00 54.97 54.35 2zit s GLU 673 Cb 0.08 -1.62 0.09 0.00 0.10 0.00 0.00 34.13 32.78 2zit s GLU 673 CO 0.88 -0.84 1.09 0.20 0.02 0.00 0.00 175.26 176.61 2zit s GLY 674 N 2.03 1.63 0.41 -1.39 0.00 0.85 -4.70 107.32 106.15 2zit s GLY 674 Ca 0.05 -0.05 0.15 0.00 0.00 0.00 0.00 44.72 44.88 2zit s GLY 674 CO -0.22 0.39 1.89 -0.56 0.00 0.00 0.00 173.10 174.61 2zit h PRO 675 N -1.29 0.00 0.70 2.90 0.13 -1.88 -1.20 132.00 131.37 2zit h PRO 675 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2zit h PRO 675 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 2zit h PRO 675 CO 0.56 0.29 -0.34 0.82 -0.23 0.00 0.00 178.00 179.10 2zit h ILE 676 N 0.00 0.00 -0.10 -3.56 2.04 -1.93 -3.43 117.51 110.53 2zit h ILE 676 Ca -0.00 -0.11 -0.23 0.00 1.00 0.00 0.00 64.86 65.52 2zit h ILE 676 Cb 0.54 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.45 2zit h ILE 676 CO 0.04 0.00 -0.43 2.22 0.00 0.00 0.00 178.15 179.98 2zit n PHE 677 N -4.83 -2.04 -0.97 1.37 1.16 -1.25 -4.87 117.46 106.03 2zit n PHE 677 Ca -0.12 -1.98 0.00 0.00 -1.87 0.00 0.00 57.45 53.49 2zit n PHE 677 Cb 0.37 1.40 0.00 0.00 -1.61 0.00 0.00 39.48 39.64 2zit n PHE 677 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2zit n GLY 678 N -0.68 0.19 3.89 4.97 0.00 -0.45 -4.89 105.19 108.22 2zit n GLY 678 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2zit n GLY 678 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2zit s GLU 679 N -1.24 3.68 0.34 1.61 0.41 -1.26 -4.17 118.70 118.06 2zit s GLU 679 Ca 0.00 0.19 -0.29 0.00 -0.41 0.00 0.00 54.97 54.47 2zit s GLU 679 Cb 0.00 -2.53 -0.12 0.00 -1.78 0.00 0.00 34.13 29.70 2zit s GLU 679 CO 0.00 0.10 1.40 0.39 -0.49 0.00 0.00 175.26 176.66 2zit n GLU 680 N -1.15 2.36 -1.69 1.61 1.02 -1.19 -0.10 120.64 121.50 2zit n GLU 680 Ca -0.00 0.83 -0.31 0.00 -0.02 0.00 0.00 57.16 57.66 2zit n GLU 680 Cb 0.54 -2.49 0.04 0.00 -0.02 0.00 0.00 31.44 29.51 2zit n GLU 680 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2zit s MET 681 N -1.64 3.04 -0.23 3.49 -1.94 0.59 -0.29 119.30 122.33 2zit s MET 681 Ca 0.57 1.01 -0.20 0.00 -1.71 0.00 0.00 55.69 55.36 2zit s MET 681 Cb -0.54 -2.00 0.06 0.00 2.01 0.00 0.00 34.83 34.36 2zit s MET 681 CO 0.60 -1.02 0.60 0.50 -0.01 0.00 0.00 175.02 175.69 2zit s ARG 682 N -4.82 0.69 -1.24 2.03 3.52 -0.17 -4.74 118.95 114.23 2zit s ARG 682 Ca 0.59 0.86 -0.08 0.00 -0.13 0.00 0.00 55.73 56.97 2zit s ARG 682 Cb -0.14 0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.57 2zit s ARG 682 CO 0.51 -0.09 1.08 0.43 -0.81 0.00 0.00 175.30 176.42 2zit n SER 683 N 2.90 -5.82 -4.15 -2.12 7.64 -0.69 -4.34 113.62 107.04 2zit n SER 683 Ca -0.14 -0.50 -0.33 0.00 1.01 0.00 0.00 58.87 58.90 2zit n SER 683 Cb 0.56 -4.66 -0.15 0.00 -1.01 0.00 0.00 64.21 58.95 2zit n SER 683 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2zit s VAL 684 N -3.29 2.33 -0.18 0.44 1.01 -1.24 -0.84 120.40 118.63 2zit s VAL 684 Ca 0.51 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 2zit s VAL 684 Cb -0.23 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2zit s VAL 684 CO 0.67 0.46 0.01 -0.60 0.00 0.00 0.00 175.10 175.63 2zit s ARG 685 N 1.31 3.76 -0.22 2.72 3.52 0.00 -2.06 118.95 127.98 2zit s ARG 685 Ca 0.04 -0.46 -0.03 0.00 -0.13 0.00 0.00 55.73 55.15 2zit s ARG 685 Cb -0.14 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 2zit s ARG 685 CO -0.10 0.19 -0.07 0.08 -0.81 0.00 0.00 175.30 174.59 2zit s VAL 686 N 0.54 3.07 -0.32 7.11 1.01 0.77 -0.52 120.40 132.05 2zit s VAL 686 Ca -0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 2zit s VAL 686 Cb -0.14 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2zit s VAL 686 CO 0.02 0.40 0.16 0.20 0.00 0.00 0.00 175.10 175.88 2zit s ASN 687 N 1.42 5.58 -0.46 3.32 0.01 0.73 0.24 114.94 125.79 2zit s ASN 687 Ca 0.05 -0.64 -0.29 0.00 -0.71 0.00 0.00 52.86 51.27 2zit s ASN 687 Cb -0.14 -2.00 0.02 0.00 0.41 0.00 0.00 41.25 39.54 2zit s ASN 687 CO -0.05 -0.24 1.22 -0.63 -1.51 0.00 0.00 177.10 175.89 2zit s ILE 688 N 1.59 4.11 -0.01 0.60 1.01 -0.14 -1.37 121.20 126.99 2zit s ILE 688 Ca 0.04 1.13 -0.10 0.00 0.00 0.00 0.00 60.65 61.72 2zit s ILE 688 Cb -0.18 -4.48 -0.31 0.00 0.01 0.00 0.00 42.46 37.50 2zit s ILE 688 CO 0.06 -0.94 0.82 -0.07 0.00 0.00 0.00 174.94 174.82 2zit h LEU 689 N 11.53 0.60 -7.11 2.97 3.38 -1.28 -0.75 115.31 124.64 2zit h LEU 689 Ca -0.24 -0.80 -0.02 0.00 0.09 0.00 0.00 57.88 56.91 2zit h LEU 689 Cb 1.07 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 2zit h LEU 689 CO 1.12 1.66 0.17 -0.62 0.09 0.00 0.00 178.44 180.85 2zit s ASP 690 N -7.27 -0.51 -0.12 -0.43 2.15 -1.14 -4.15 116.67 105.20 2zit s ASP 690 Ca -0.12 -0.08 -0.10 0.00 0.43 0.00 0.00 52.55 52.68 2zit s ASP 690 Cb 0.06 0.59 0.04 0.00 -0.30 0.00 0.00 42.92 43.30 2zit s ASP 690 CO 0.88 -0.98 0.32 -0.69 -0.17 0.00 0.00 175.17 174.53 2zit s VAL 691 N -3.77 -0.01 -0.12 1.11 1.01 -1.26 -0.93 120.40 116.44 2zit s VAL 691 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2zit s VAL 691 Cb -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2zit s VAL 691 CO -0.12 0.01 -0.18 0.42 0.00 0.00 0.00 175.10 175.23 2zit s THR 692 N 0.38 1.70 0.11 3.92 -4.23 -1.08 -4.97 115.64 111.47 2zit s THR 692 Ca -0.02 -0.77 0.09 0.00 -1.18 0.00 0.00 61.69 59.82 2zit s THR 692 Cb -0.04 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 2zit s THR 692 CO -0.02 0.48 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.55 2zit s LEU 693 N 0.90 2.30 0.57 4.79 1.43 -1.26 -0.90 118.68 126.51 2zit s LEU 693 Ca -0.07 -0.70 -0.19 0.00 -1.03 0.00 0.00 54.13 52.13 2zit s LEU 693 Cb -0.15 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 2zit s LEU 693 CO -0.01 0.11 1.20 -2.28 0.23 0.00 0.00 176.35 175.59 2zit s HIS 694 N -1.11 2.47 0.27 0.29 5.65 -1.26 -4.94 115.29 116.66 2zit s HIS 694 Ca 0.09 1.52 -0.01 0.00 0.25 0.00 0.00 55.06 56.90 2zit s HIS 694 Cb -0.10 -3.45 0.37 0.00 -1.18 0.00 0.00 32.58 28.22 2zit s HIS 694 CO 0.05 -2.07 1.79 0.00 -0.65 0.00 0.00 174.74 173.85 2zit h ALA 695 N 1.04 1.15 -2.68 1.58 0.00 -2.00 -3.42 119.26 114.93 2zit h ALA 695 Ca -0.50 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 53.57 2zit h ALA 695 Cb 1.29 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 2zit h ALA 695 CO 0.56 0.55 -0.02 -0.51 0.00 0.00 0.00 179.25 179.84 2zit s ASP 696 N -6.63 6.57 0.56 0.00 1.01 -1.26 -4.94 116.67 111.98 2zit s ASP 696 Ca -0.09 0.68 0.38 0.00 0.71 0.00 0.00 52.55 54.22 2zit s ASP 696 Cb 0.15 -2.30 1.95 0.00 1.01 0.00 0.00 42.92 43.73 2zit s ASP 696 CO 0.80 -0.20 2.14 0.00 0.21 0.00 0.00 175.17 178.13 2zit h ALA 697 N 7.51 1.00 0.00 5.23 0.00 -2.03 -3.31 119.26 127.66 2zit h ALA 697 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2zit h ALA 697 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2zit h ALA 697 CO 0.74 0.00 0.00 1.51 0.00 0.00 0.00 179.25 181.50 2zit n ILE 698 N -2.88 0.14 -0.31 0.00 0.13 -1.26 -3.29 119.36 111.89 2zit n ILE 698 Ca -0.02 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 2zit n ILE 698 Cb 0.11 -0.62 0.00 0.00 -0.84 0.00 0.00 39.64 38.29 2zit n ILE 698 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2zit n ARG 700 N 1.06 -1.36 -0.48 9.51 1.74 -1.25 -5.07 116.66 120.82 2zit n ARG 700 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 2zit n ARG 700 Cb 0.06 -2.55 0.24 0.00 -1.02 0.00 0.00 32.46 29.19 2zit n ARG 700 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zit n GLY 701 N 0.00 -2.51 0.31 -0.13 0.00 -1.21 -4.46 105.19 97.19 2zit n GLY 701 Ca 0.00 -1.17 0.07 0.00 0.00 0.00 0.00 46.02 44.93 2zit n GLY 701 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2zit h GLY 702 N -2.73 1.42 1.57 -0.02 0.00 -1.97 -0.52 103.07 100.81 2zit h GLY 702 Ca -0.57 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 46.53 2zit h GLY 702 CO 0.42 -0.02 0.17 -1.33 0.00 0.00 0.00 176.54 175.79 2zit h GLY 703 N 0.66 0.00 0.04 4.60 0.00 -2.00 -0.35 103.07 106.03 2zit h GLY 703 Ca 0.47 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.47 2zit h GLY 703 CO -0.35 0.00 -1.82 -1.06 0.00 0.00 0.00 176.54 173.31 2zit n GLN 704 N -3.76 0.59 0.05 4.80 1.13 -0.25 -4.50 117.38 115.44 2zit n GLN 704 Ca 0.01 0.43 -0.20 0.00 -1.94 0.00 0.00 57.00 55.29 2zit n GLN 704 Cb 0.29 -1.64 -0.13 0.00 0.11 0.00 0.00 30.24 28.87 2zit n GLN 704 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2zit h ILE 705 N -0.89 1.39 -0.32 5.09 5.03 -1.31 -3.26 117.51 123.24 2zit h ILE 705 Ca -0.49 -2.34 0.07 0.00 -0.12 0.00 0.00 64.86 61.98 2zit h ILE 705 Cb 1.49 2.77 -0.08 0.00 -3.03 0.00 0.00 36.82 37.97 2zit h ILE 705 CO -0.27 0.69 -0.29 0.40 -0.68 0.00 0.00 178.15 178.00 2zit h ILE 706 N -0.01 0.29 -0.17 -0.67 2.04 -1.28 0.17 117.51 117.88 2zit h ILE 706 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2zit h ILE 706 Cb 1.63 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2zit h ILE 706 CO 0.18 0.00 0.11 -0.65 0.00 0.00 0.00 178.15 177.78 2zit h PRO 707 N -0.26 0.23 -0.47 2.37 0.11 -1.76 -1.87 132.00 130.34 2zit h PRO 707 Ca 0.16 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.34 2zit h PRO 707 Cb 0.51 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 31.48 2zit h PRO 707 CO -0.47 0.18 -0.26 1.15 -0.21 0.00 0.00 178.00 178.39 2zit h THR 708 N 0.21 0.30 -0.56 -1.15 2.02 -1.32 0.83 112.91 113.24 2zit h THR 708 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2zit h THR 708 Cb 0.01 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 2zit h THR 708 CO -0.01 0.00 0.30 -0.03 0.37 0.00 0.00 175.52 176.14 2zit h MET 709 N -0.16 0.78 0.59 6.66 1.85 -0.58 -0.78 114.93 123.29 2zit h MET 709 Ca 0.21 -0.10 -0.02 0.00 -0.61 0.00 0.00 59.70 59.18 2zit h MET 709 Cb 0.50 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 32.38 2zit h MET 709 CO -0.56 0.61 -0.33 -0.09 -0.40 0.00 0.00 176.91 176.13 2zit h ARG 710 N 0.75 -0.83 -0.56 0.39 2.43 -0.45 -1.15 114.38 114.96 2zit h ARG 710 Ca 0.20 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 2zit h ARG 710 Cb 0.06 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 2zit h ARG 710 CO -0.03 -0.55 0.35 0.00 -1.51 0.00 0.00 179.97 178.22 2zit h ARG 711 N -0.86 0.68 -0.96 0.20 3.08 -0.79 -0.26 114.38 115.46 2zit h ARG 711 Ca -0.07 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.03 2zit h ARG 711 Cb 0.69 -0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.51 2zit h ARG 711 CO 0.09 0.45 0.60 0.00 -1.07 0.00 0.00 179.97 180.04 2zit h ALA 712 N 1.23 1.40 -0.46 0.04 0.00 -1.06 0.97 119.26 121.37 2zit h ALA 712 Ca 0.22 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2zit h ALA 712 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2zit h ALA 712 CO -0.08 0.26 -0.08 1.15 0.00 0.00 0.00 179.25 180.51 2zit h THR 713 N 1.00 1.27 -0.10 0.00 2.02 0.00 -0.94 112.91 116.17 2zit h THR 713 Ca 0.45 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.45 2zit h THR 713 Cb 0.36 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2zit h THR 713 CO -0.23 0.41 0.06 1.88 0.37 0.00 0.00 175.52 178.00 2zit h TYR 714 N 0.70 0.11 -0.44 3.16 -1.99 -0.24 0.18 116.97 118.45 2zit h TYR 714 Ca 0.12 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.91 2zit h TYR 714 Cb 0.61 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.25 2zit h TYR 714 CO 0.05 0.07 0.13 0.00 -0.00 0.00 0.00 178.16 178.40 2zit h ALA 715 N 1.04 0.51 -0.67 3.88 0.00 -0.70 -0.70 119.26 122.62 2zit h ALA 715 Ca 0.04 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2zit h ALA 715 Cb -0.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2zit h ALA 715 CO -0.02 -0.27 0.12 0.78 0.00 0.00 0.00 179.25 179.87 2zit h GLY 716 N 0.28 1.18 0.94 0.00 0.00 -0.91 -2.19 103.07 102.38 2zit h GLY 716 Ca 0.21 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 2zit h GLY 716 CO -0.24 0.72 -0.15 -2.75 0.00 0.00 0.00 176.54 174.12 2zit h PHE 717 N 1.03 -0.39 0.00 5.60 3.57 -0.08 -2.45 116.94 124.23 2zit h PHE 717 Ca 0.21 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2zit h PHE 717 Cb 0.42 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2zit h PHE 717 CO 0.03 -0.24 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.66 2zit h LEU 718 N -0.38 0.00 -0.04 0.59 3.38 -1.06 -1.08 115.31 116.71 2zit h LEU 718 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2zit h LEU 718 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2zit h LEU 718 CO 0.03 0.15 -0.12 0.18 0.09 0.00 0.00 178.44 178.77 2zit n LEU 719 N -3.73 0.19 -2.16 1.67 4.77 -0.83 -4.03 117.00 112.87 2zit n LEU 719 Ca -0.02 0.28 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 2zit n LEU 719 Cb 0.26 -0.36 0.16 0.00 -2.33 0.00 0.00 43.42 41.15 2zit n LEU 719 CO 0.32 0.04 1.26 0.00 -1.33 0.00 0.00 177.39 177.68 2zit n ALA 720 N -1.37 5.63 -2.98 -1.18 0.00 -0.41 -0.13 120.51 120.07 2zit n ALA 720 Ca 0.09 -3.03 -0.10 0.00 0.00 0.00 0.00 53.44 50.41 2zit n ALA 720 Cb 0.31 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.34 2zit n ALA 720 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2zit n ASP 721 N -1.10 -7.62 -4.77 0.00 2.03 -1.26 -2.03 116.55 101.80 2zit n ASP 721 Ca 0.58 0.30 -0.39 0.00 0.52 0.00 0.00 54.79 55.80 2zit n ASP 721 Cb 1.45 -4.94 -0.00 0.00 -0.72 0.00 0.00 41.12 36.90 2zit n ASP 721 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2zit s PRO 722 N -2.75 3.87 0.14 -0.67 0.02 -1.26 -0.46 135.00 133.88 2zit s PRO 722 Ca 0.20 2.04 -0.04 0.00 0.02 0.00 0.00 61.00 63.22 2zit s PRO 722 Cb -0.05 -2.64 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 2zit s PRO 722 CO 0.78 -0.54 0.13 0.15 -0.33 0.00 0.00 177.00 177.19 2zit s LYS 723 N -2.39 0.98 0.07 5.54 3.01 0.49 -4.57 119.74 122.86 2zit s LYS 723 Ca 0.59 -1.32 0.10 0.00 -1.01 0.00 0.00 55.97 54.33 2zit s LYS 723 Cb -0.35 0.29 -0.03 0.00 -1.01 0.00 0.00 37.83 36.72 2zit s LYS 723 CO 0.44 -0.31 -0.26 0.96 0.51 0.00 0.00 175.35 176.70 2zit s ILE 724 N -4.01 2.14 -0.08 2.17 -4.36 -1.26 -0.97 121.20 114.84 2zit s ILE 724 Ca 0.20 -1.49 -0.00 0.00 -0.26 0.00 0.00 60.65 59.10 2zit s ILE 724 Cb 0.06 -1.85 -0.03 0.00 1.25 0.00 0.00 42.46 41.89 2zit s ILE 724 CO 0.00 0.28 -0.05 -1.10 0.24 0.00 0.00 174.94 174.30 2zit s GLN 725 N -1.47 2.87 -0.02 0.37 -0.21 0.56 -1.25 119.66 120.51 2zit s GLN 725 Ca 0.12 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.00 2zit s GLN 725 Cb -0.10 -2.65 -0.03 0.00 1.00 0.00 0.00 33.01 31.23 2zit s GLN 725 CO 0.03 0.63 -0.07 -1.83 -2.12 0.00 0.00 175.29 171.93 2zit s GLU 726 N -0.71 2.60 0.51 2.91 -1.05 0.23 -2.15 118.70 121.04 2zit s GLU 726 Ca 0.11 -0.67 -0.19 0.00 -0.15 0.00 0.00 54.97 54.06 2zit s GLU 726 Cb -0.11 -2.52 -0.08 0.00 -0.44 0.00 0.00 34.13 30.98 2zit s GLU 726 CO 0.02 0.62 1.05 -1.25 0.95 0.00 0.00 175.26 176.64 2zit s PRO 727 N -1.21 3.70 -0.03 -4.83 0.04 -1.26 -0.43 135.00 130.98 2zit s PRO 727 Ca 0.15 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 2zit s PRO 727 Cb -0.11 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2zit s PRO 727 CO 0.05 -0.51 0.07 0.08 0.04 0.00 0.00 177.00 176.73 2zit s VAL 728 N -2.05 -0.01 0.51 -0.36 1.01 -0.71 -2.10 120.40 116.68 2zit s VAL 728 Ca 0.67 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 2zit s VAL 728 Cb -0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 2zit s VAL 728 CO 0.23 0.02 0.80 -0.36 0.00 0.00 0.00 175.10 175.79 2zit s PHE 729 N 0.32 3.38 -0.47 5.22 0.08 0.16 -0.23 117.98 126.44 2zit s PHE 729 Ca -0.02 0.63 -0.02 0.00 0.12 0.00 0.00 56.93 57.64 2zit s PHE 729 Cb -0.03 -2.46 0.12 0.00 -0.57 0.00 0.00 43.02 40.08 2zit s PHE 729 CO -0.01 -0.49 0.26 -1.17 -0.10 0.00 0.00 175.22 173.71 2zit s LEU 730 N -4.79 5.16 -0.62 -0.37 0.20 0.81 -0.73 118.68 118.33 2zit s LEU 730 Ca 0.50 -2.33 -0.18 0.00 0.69 0.00 0.00 54.13 52.80 2zit s LEU 730 Cb -0.10 -1.81 0.11 0.00 -0.43 0.00 0.00 46.19 43.96 2zit s LEU 730 CO 0.43 -0.46 0.71 0.54 -0.29 0.00 0.00 176.35 177.28 2zit s VAL 731 N 0.70 4.89 0.12 1.68 0.11 0.99 -3.02 120.40 125.87 2zit s VAL 731 Ca 0.11 -1.15 -0.24 0.00 -2.93 0.00 0.00 61.98 57.78 2zit s VAL 731 Cb -0.22 -4.49 -0.07 0.00 -1.53 0.00 0.00 36.38 30.07 2zit s VAL 731 CO -0.04 -1.12 0.73 -0.70 -3.33 0.00 0.00 175.10 170.63 2zit s GLU 732 N 2.46 4.48 -0.05 1.54 2.12 0.17 -2.28 118.70 127.14 2zit s GLU 732 Ca 0.12 1.05 -0.01 0.00 0.36 0.00 0.00 54.97 56.49 2zit s GLU 732 Cb -0.23 -3.28 0.03 0.00 0.26 0.00 0.00 34.13 30.91 2zit s GLU 732 CO 0.04 0.53 0.02 0.42 -0.54 0.00 0.00 175.26 175.73 2zit s ILE 733 N -0.92 0.17 -0.10 -3.70 1.01 0.59 -2.49 121.20 115.76 2zit s ILE 733 Ca 0.35 0.18 -0.18 0.00 0.00 0.00 0.00 60.65 61.00 2zit s ILE 733 Cb -0.22 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 2zit s ILE 733 CO 0.24 0.19 0.48 -1.10 0.00 0.00 0.00 174.94 174.76 2zit s GLN 734 N 1.62 4.32 -0.28 2.79 1.11 -1.12 -1.50 119.66 126.59 2zit s GLN 734 Ca -0.01 0.47 -0.24 0.00 0.01 0.00 0.00 55.36 55.59 2zit s GLN 734 Cb -0.13 -3.42 0.13 0.00 -1.01 0.00 0.00 33.01 28.58 2zit s GLN 734 CO -0.03 0.20 1.03 0.00 0.01 0.00 0.00 175.29 176.50 2zit n PRO 736 N 2.41 1.14 0.31 0.00 -0.02 -1.26 -1.40 135.00 136.17 2zit n PRO 736 Ca -0.13 0.42 0.18 0.00 -2.02 0.00 0.00 63.50 61.95 2zit n PRO 736 Cb 0.56 -2.13 0.98 0.00 -0.02 0.00 0.00 33.50 32.89 2zit n PRO 736 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2zit h GLU 737 N 0.98 0.00 -0.01 -0.52 4.81 -1.38 -1.04 114.58 117.42 2zit h GLU 737 Ca -0.47 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.61 2zit h GLU 737 Cb 1.35 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 2zit h GLU 737 CO 0.53 0.00 -0.68 -0.56 -0.73 0.00 0.00 179.01 177.58 2zit h GLN 738 N 0.00 0.06 -0.22 1.92 3.07 -1.88 -3.27 115.11 114.78 2zit h GLN 738 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2zit h GLN 738 Cb 0.23 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.80 2zit h GLN 738 CO 0.00 0.71 0.00 0.00 0.09 0.00 0.00 178.83 179.63 2zit n ALA 739 N -2.43 2.25 0.29 0.06 0.00 -0.43 -4.44 120.51 115.82 2zit n ALA 739 Ca -0.01 -0.96 0.17 0.00 0.00 0.00 0.00 53.44 52.63 2zit n ALA 739 Cb 0.66 -0.37 0.82 0.00 0.00 0.00 0.00 19.45 20.56 2zit n ALA 739 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2zit h VAL 740 N 1.82 0.00 -0.57 0.00 2.07 -1.52 -2.01 116.25 116.04 2zit h VAL 740 Ca 0.00 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 2zit h VAL 740 Cb 0.62 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2zit h VAL 740 CO 0.00 0.00 -0.00 1.23 0.02 0.00 0.00 177.57 178.82 2zit h GLY 741 N 0.86 1.08 2.00 2.17 0.00 -1.81 -2.56 103.07 104.82 2zit h GLY 741 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 2zit h GLY 741 CO 0.00 0.72 -0.06 -1.33 0.00 0.00 0.00 176.54 175.86 2zit h GLY 742 N 1.00 0.00 0.88 4.60 0.00 -1.48 -2.61 103.07 105.45 2zit h GLY 742 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 2zit h GLY 742 CO 0.03 0.00 -0.38 -2.22 0.00 0.00 0.00 176.54 173.96 2zit h ILE 743 N 0.00 0.10 0.00 2.60 1.08 -1.53 -2.65 117.51 117.11 2zit h ILE 743 Ca -0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2zit h ILE 743 Cb 0.20 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 2zit h ILE 743 CO 0.01 0.01 0.00 -1.22 -0.69 0.00 0.00 178.15 176.26 2zit n TYR 744 N -5.51 0.00 0.03 1.37 4.01 -1.09 -2.26 117.16 113.71 2zit n TYR 744 Ca -0.14 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.42 2zit n TYR 744 Cb 0.43 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.32 2zit n TYR 744 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2zit h SER 745 N 0.00 0.38 0.26 7.72 0.87 -1.11 -3.36 113.55 118.32 2zit h SER 745 Ca 0.00 -0.68 -0.11 0.00 -1.23 0.00 0.00 61.79 59.76 2zit h SER 745 Cb 0.00 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2zit h SER 745 CO 0.00 1.59 -1.85 0.52 -0.53 0.00 0.00 176.83 176.57 2zit n VAL 746 N -3.43 0.61 -0.13 2.23 0.31 -1.05 -4.27 118.33 112.61 2zit n VAL 746 Ca -0.24 -0.62 -0.02 0.00 -0.01 0.00 0.00 64.34 63.45 2zit n VAL 746 Cb 1.05 -0.28 0.21 0.00 -0.91 0.00 0.00 33.84 33.91 2zit n VAL 746 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2zit h LEU 747 N 0.00 0.76 -1.57 7.52 3.38 -1.64 -1.97 115.31 121.79 2zit h LEU 747 Ca -0.15 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2zit h LEU 747 Cb 1.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2zit h LEU 747 CO 0.01 0.72 0.00 0.59 0.09 0.00 0.00 178.44 179.85 2zit n ASN 748 N -4.30 2.18 0.00 -0.43 3.02 -1.26 0.53 115.26 115.01 2zit n ASN 748 Ca 0.04 -2.22 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 2zit n ASN 748 Cb 0.20 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2zit n ASN 748 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2zit n LYS 749 N 0.20 0.76 -0.38 3.52 5.02 -0.76 -4.68 118.16 121.84 2zit n LYS 749 Ca 0.09 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 2zit n LYS 749 Cb 0.46 -0.84 0.01 0.00 -0.02 0.00 0.00 35.03 34.64 2zit n LYS 749 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2zit n LYS 750 N -0.18 0.08 -3.69 1.97 4.76 -1.13 -5.00 118.16 114.97 2zit n LYS 750 Ca 0.00 -0.97 -0.25 0.00 -2.87 0.00 0.00 58.31 54.22 2zit n LYS 750 Cb 0.22 -0.55 0.06 0.00 -1.84 0.00 0.00 35.03 32.92 2zit n LYS 750 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2zit n ARG 751 N -0.06 -7.03 -3.19 1.97 1.74 -1.12 -4.33 116.66 104.64 2zit n ARG 751 Ca 0.01 0.75 -0.39 0.00 -0.77 0.00 0.00 57.85 57.45 2zit n ARG 751 Cb 0.65 -5.74 -0.06 0.00 -1.02 0.00 0.00 32.46 26.30 2zit n ARG 751 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2zit s GLY 752 N -3.44 2.67 -0.21 -0.13 0.00 0.19 -4.46 107.32 101.94 2zit s GLY 752 Ca 0.54 0.08 -0.02 0.00 0.00 0.00 0.00 44.72 45.32 2zit s GLY 752 CO 0.76 0.71 -0.09 1.62 0.00 0.00 0.00 173.10 176.10 2zit s GLN 753 N -0.53 3.20 -0.17 2.90 0.74 -0.69 -4.58 119.66 120.53 2zit s GLN 753 Ca 0.31 -0.73 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 2zit s GLN 753 Cb -0.19 -2.88 -0.02 0.00 1.10 0.00 0.00 33.01 31.02 2zit s GLN 753 CO 0.19 -0.23 1.42 0.08 -0.55 0.00 0.00 175.29 176.20 2zit s VAL 754 N 1.41 4.00 -0.12 1.34 1.01 -1.26 -0.03 120.40 126.75 2zit s VAL 754 Ca 0.05 1.19 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 2zit s VAL 754 Cb -0.14 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 2zit s VAL 754 CO -0.06 -0.20 0.28 0.58 0.00 0.00 0.00 175.10 175.70 2zit h VAL 755 N 5.69 0.66 -1.96 2.92 2.07 -0.29 -3.48 116.25 121.86 2zit h VAL 755 Ca -0.30 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 65.74 2zit h VAL 755 Cb 1.13 1.25 -0.22 0.00 -1.52 0.00 0.00 31.29 31.93 2zit h VAL 755 CO 0.98 0.22 0.07 -0.94 0.02 0.00 0.00 177.57 177.92 2zit s SER 756 N -5.81 -0.88 -0.20 0.57 1.04 -0.98 -5.01 113.70 102.43 2zit s SER 756 Ca -0.07 1.45 -0.03 0.00 0.48 0.00 0.00 55.95 57.77 2zit s SER 756 Cb -0.01 1.38 -0.01 0.00 0.10 0.00 0.00 66.02 67.48 2zit s SER 756 CO 0.26 -0.23 -0.05 -0.70 0.98 0.00 0.00 173.24 173.50 2zit s GLU 757 N 1.40 3.44 0.37 4.02 2.12 -1.26 -0.81 118.70 127.98 2zit s GLU 757 Ca -0.08 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.68 2zit s GLU 757 Cb -0.05 -2.95 -0.06 0.00 0.26 0.00 0.00 34.13 31.33 2zit s GLU 757 CO -0.16 -0.06 0.05 -1.21 -0.54 0.00 0.00 175.26 173.34 2zit s GLU 758 N 1.12 1.80 0.11 4.30 2.02 -1.12 -4.97 118.70 121.96 2zit s GLU 758 Ca 0.02 -2.03 0.07 0.00 0.02 0.00 0.00 54.97 53.05 2zit s GLU 758 Cb -0.15 -1.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.96 2zit s GLU 758 CO -0.00 -0.19 -0.17 -1.14 0.02 0.00 0.00 175.26 173.78 2zit s GLN 759 N -3.83 1.04 -0.04 1.61 0.74 -1.26 -0.22 119.66 117.71 2zit s GLN 759 Ca 0.33 -1.18 -0.29 0.00 0.05 0.00 0.00 55.36 54.27 2zit s GLN 759 Cb 0.08 -1.08 -0.03 0.00 1.10 0.00 0.00 33.01 33.09 2zit s GLN 759 CO 0.15 0.23 0.96 0.50 -0.55 0.00 0.00 175.29 176.58 2zit s ARG 760 N -2.26 4.50 0.33 1.67 3.52 -1.02 -4.95 118.95 120.75 2zit s ARG 760 Ca 0.07 1.35 0.08 0.00 -0.13 0.00 0.00 55.73 57.10 2zit s ARG 760 Cb -0.08 -3.48 0.96 0.00 -1.56 0.00 0.00 34.95 30.79 2zit s ARG 760 CO 0.04 -0.12 1.58 -1.35 -0.81 0.00 0.00 175.30 174.63 2zit h PRO 761 N 6.89 0.01 0.00 5.12 0.11 -2.00 -3.32 132.00 138.82 2zit h PRO 761 Ca -0.38 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2zit h PRO 761 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2zit h PRO 761 CO 0.78 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.99 2zit n GLY 762 N -1.41 -0.42 3.76 -0.55 0.00 -1.26 -5.02 105.19 100.28 2zit n GLY 762 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.95 2zit n GLY 762 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zit s THR 763 N -0.88 2.85 0.00 2.61 -4.23 -1.25 -4.87 115.64 109.87 2zit s THR 763 Ca 0.00 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 2zit s THR 763 Cb 0.00 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.63 2zit s THR 763 CO 0.00 -0.11 1.16 -2.65 -0.54 0.00 0.00 174.62 172.48 2zit n PRO 764 N -1.47 0.60 -3.26 3.99 -0.02 -1.26 -4.17 135.00 129.41 2zit n PRO 764 Ca 0.13 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.15 2zit n PRO 764 Cb 0.50 -1.20 -0.04 0.00 -0.02 0.00 0.00 33.50 32.74 2zit n PRO 764 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2zit s LEU 765 N 0.00 6.20 0.92 2.45 2.96 -1.26 -0.85 118.68 129.10 2zit s LEU 765 Ca 0.00 -2.07 -0.12 0.00 -0.22 0.00 0.00 54.13 51.73 2zit s LEU 765 Cb 0.00 -2.24 0.14 0.00 0.50 0.00 0.00 46.19 44.60 2zit s LEU 765 CO 0.00 -0.81 1.09 -0.36 -1.32 0.00 0.00 176.35 174.95 2zit s PHE 766 N 1.33 2.28 -0.40 5.38 2.99 -0.49 -2.43 117.98 126.64 2zit s PHE 766 Ca 0.11 1.19 0.03 0.00 0.00 0.00 0.00 56.93 58.26 2zit s PHE 766 Cb -0.21 -3.19 0.16 0.00 0.00 0.00 0.00 43.02 39.79 2zit s PHE 766 CO -0.01 -2.50 0.34 -0.08 -0.00 0.00 0.00 175.22 172.97 2zit s THR 767 N -2.95 0.08 -0.03 0.64 -1.32 0.70 -2.63 115.64 110.13 2zit s THR 767 Ca 0.64 -2.05 -0.26 0.00 -1.21 0.00 0.00 61.69 58.80 2zit s THR 767 Cb -0.18 -1.03 -0.03 0.00 -1.51 0.00 0.00 72.50 69.74 2zit s THR 767 CO 0.57 -0.99 0.83 -0.69 -2.21 0.00 0.00 174.62 172.13 2zit s VAL 768 N 0.56 4.96 -0.10 5.08 1.01 -0.56 -2.79 120.40 128.56 2zit s VAL 768 Ca 0.27 1.73 0.01 0.00 0.00 0.00 0.00 61.98 63.98 2zit s VAL 768 Cb -0.06 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2zit s VAL 768 CO -0.11 0.22 -0.12 -0.54 0.00 0.00 0.00 175.10 174.54 2zit s LYS 769 N 0.86 3.07 0.01 2.72 1.02 0.01 -0.30 119.74 127.13 2zit s LYS 769 Ca 0.44 -0.66 -0.19 0.00 0.02 0.00 0.00 55.97 55.58 2zit s LYS 769 Cb -0.19 -2.57 0.04 0.00 -0.52 0.00 0.00 37.83 34.59 2zit s LYS 769 CO 0.23 0.39 0.42 0.00 -0.92 0.00 0.00 175.35 175.46 2zit s ALA 770 N -0.10 -1.04 0.26 5.17 0.00 -0.96 0.50 121.76 125.58 2zit s ALA 770 Ca -0.01 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 2zit s ALA 770 Cb -0.14 0.22 -0.08 0.00 0.00 0.00 0.00 23.12 23.12 2zit s ALA 770 CO 0.03 -0.39 0.63 0.71 0.00 0.00 0.00 175.76 176.75 2zit s TYR 771 N -1.97 3.43 -0.12 0.00 2.02 0.96 -0.01 117.35 121.66 2zit s TYR 771 Ca -0.08 1.05 -0.04 0.00 -0.37 0.00 0.00 57.07 57.63 2zit s TYR 771 Cb -0.02 -2.40 0.06 0.00 -0.40 0.00 0.00 41.96 39.20 2zit s TYR 771 CO 0.01 0.21 0.15 -1.17 -1.57 0.00 0.00 175.55 173.18 2zit s LEU 772 N -2.78 0.03 0.19 -1.29 2.96 0.09 -1.71 118.68 116.17 2zit s LEU 772 Ca 0.49 -0.01 -0.33 0.00 -0.22 0.00 0.00 54.13 54.06 2zit s LEU 772 Cb -0.11 0.14 -0.15 0.00 0.50 0.00 0.00 46.19 46.57 2zit s LEU 772 CO 0.19 -0.29 1.34 -2.65 -1.32 0.00 0.00 176.35 173.62 2zit n PRO 773 N 5.31 1.64 -0.03 0.98 -0.02 -1.26 0.39 135.00 142.01 2zit n PRO 773 Ca -0.05 0.59 -0.05 0.00 -2.02 0.00 0.00 63.50 61.96 2zit n PRO 773 Cb 0.50 -2.20 0.15 0.00 -0.02 0.00 0.00 33.50 31.92 2zit n PRO 773 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2zit h VAL 774 N 3.02 1.27 0.00 -1.45 2.07 -1.78 -2.35 116.25 117.03 2zit h VAL 774 Ca -0.45 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 65.76 2zit h VAL 774 Cb 1.30 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2zit h VAL 774 CO 0.76 0.43 0.00 -0.46 0.02 0.00 0.00 177.57 178.31 2zit n ASN 775 N -4.11 0.14 -0.66 0.57 6.94 -1.26 -2.29 115.26 114.58 2zit n ASN 775 Ca -0.00 -1.46 0.01 0.00 -0.02 0.00 0.00 54.58 53.11 2zit n ASN 775 Cb 0.42 -0.07 0.01 0.00 -2.36 0.00 0.00 39.78 37.78 2zit n ASN 775 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2zit n GLU 776 N -0.38 0.03 -0.08 -3.83 1.02 -0.89 -4.80 120.64 111.70 2zit n GLU 776 Ca 0.00 -1.20 0.07 0.00 -0.02 0.00 0.00 57.16 56.01 2zit n GLU 776 Cb 0.03 -0.44 0.11 0.00 -0.02 0.00 0.00 31.44 31.12 2zit n GLU 776 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2zit n SER 777 N 0.05 2.51 -4.59 1.62 3.41 -0.97 -4.84 113.62 110.82 2zit n SER 777 Ca 0.01 -1.73 -0.41 0.00 -0.26 0.00 0.00 58.87 56.48 2zit n SER 777 Cb 0.77 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 2zit n SER 777 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2zit s PHE 778 N -1.08 1.41 -0.60 7.33 0.08 -1.26 -1.37 117.98 122.48 2zit s PHE 778 Ca 0.21 0.78 -0.00 0.00 0.12 0.00 0.00 56.93 58.04 2zit s PHE 778 Cb 0.13 -3.95 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 2zit s PHE 778 CO 0.18 -3.26 0.00 0.41 -0.10 0.00 0.00 175.22 172.45 2zit n GLY 779 N 5.69 0.08 0.22 4.36 0.00 -1.26 -4.96 105.19 109.32 2zit n GLY 779 Ca 0.28 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 2zit n GLY 779 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2zit h PHE 780 N -0.00 -0.46 -0.87 1.61 3.57 -1.55 -2.53 116.94 116.71 2zit h PHE 780 Ca -0.17 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.42 2zit h PHE 780 Cb 1.12 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.97 2zit h PHE 780 CO 0.19 -0.27 0.57 1.15 -2.23 0.00 0.00 178.31 177.71 2zit h THR 781 N -0.44 0.97 -0.84 4.41 2.02 -1.93 -0.47 112.91 116.62 2zit h THR 781 Ca -0.03 -0.30 0.17 0.00 0.77 0.00 0.00 66.41 67.03 2zit h THR 781 Cb 0.37 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 2zit h THR 781 CO 0.03 0.16 0.56 1.23 0.37 0.00 0.00 175.52 177.86 2zit h GLY 782 N 0.86 0.88 1.02 2.16 0.00 -1.85 0.11 103.07 106.25 2zit h GLY 782 Ca 0.40 -0.21 -0.31 0.00 0.00 0.00 0.00 47.33 47.22 2zit h GLY 782 CO -0.17 0.04 -1.69 0.83 0.00 0.00 0.00 176.54 175.55 2zit h GLU 783 N 0.47 0.11 0.00 4.80 5.08 -1.03 -3.32 114.58 120.69 2zit h GLU 783 Ca 0.43 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2zit h GLU 783 Cb 0.95 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2zit h GLU 783 CO -0.16 0.82 0.00 1.25 -1.00 0.00 0.00 179.01 179.91 2zit h LEU 784 N 0.03 0.00 -0.03 1.33 5.85 -0.30 -2.93 115.31 119.26 2zit h LEU 784 Ca -0.29 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 2zit h LEU 784 Cb 2.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.03 2zit h LEU 784 CO 0.10 0.00 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.05 2zit h ARG 785 N 0.00 0.10 -1.02 1.25 9.65 -0.91 -3.22 114.38 120.24 2zit h ARG 785 Ca 0.00 -0.07 -0.47 0.00 -1.10 0.00 0.00 59.98 58.34 2zit h ARG 785 Cb 0.47 0.01 -0.27 0.00 -1.39 0.00 0.00 29.97 28.79 2zit h ARG 785 CO 0.00 0.64 0.60 1.04 2.80 0.00 0.00 179.97 185.05 2zit n GLN 786 N -4.72 2.14 0.00 0.20 3.00 -1.18 -2.30 117.38 114.51 2zit n GLN 786 Ca -0.08 -2.64 0.00 0.00 -0.01 0.00 0.00 57.00 54.27 2zit n GLN 786 Cb 0.33 -2.03 0.00 0.00 0.00 0.00 0.00 30.24 28.53 2zit n GLN 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2zit n ALA 787 N -0.87 2.00 -0.12 -1.58 0.00 -1.11 -4.73 120.51 114.09 2zit n ALA 787 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2zit n ALA 787 Cb 1.38 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.92 2zit n ALA 787 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2zit n THR 788 N -1.66 0.00 0.00 0.00 -2.24 -1.23 -3.96 114.28 105.20 2zit n THR 788 Ca 0.00 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2zit n THR 788 Cb 0.16 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 2zit n THR 788 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2zit n GLY 789 N 0.27 0.74 0.00 3.38 0.00 -1.20 -4.01 105.19 104.37 2zit n GLY 789 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2zit n GLY 789 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zit n GLY 790 N -2.00 0.96 0.10 -0.02 0.00 -0.97 -4.95 105.19 98.30 2zit n GLY 790 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2zit n GLY 790 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2zit h GLN 791 N 3.42 0.00 -6.08 1.61 4.20 -1.88 -3.46 115.11 112.92 2zit h GLN 791 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 2zit h GLN 791 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 2zit h GLN 791 CO 0.00 0.00 0.02 0.00 -0.67 0.00 0.00 178.83 178.18 2zit s ALA 792 N -3.18 3.44 -0.44 3.87 0.00 -1.26 -4.55 121.76 119.64 2zit s ALA 792 Ca 0.07 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.99 2zit s ALA 792 Cb 0.12 -2.81 0.09 0.00 0.00 0.00 0.00 23.12 20.51 2zit s ALA 792 CO 0.69 0.10 0.31 0.12 0.00 0.00 0.00 175.76 176.97 2zit s PHE 793 N 0.05 3.33 0.99 0.00 5.36 0.65 -4.98 117.98 123.38 2zit s PHE 793 Ca 0.33 -1.45 -0.11 0.00 -0.96 0.00 0.00 56.93 54.73 2zit s PHE 793 Cb -0.18 -3.13 0.18 0.00 -0.34 0.00 0.00 43.02 39.55 2zit s PHE 793 CO 0.18 -0.87 1.09 -2.14 -1.46 0.00 0.00 175.22 172.02 2zit s PRO 794 N 1.47 0.49 0.00 10.12 0.02 -1.26 -2.81 135.00 143.02 2zit s PRO 794 Ca 0.04 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.20 2zit s PRO 794 Cb -0.24 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.58 2zit s PRO 794 CO 0.03 -2.86 0.00 0.94 -0.33 0.00 0.00 177.00 174.77 2zit n GLN 795 N -4.35 0.00 -3.83 5.54 7.27 -1.04 -4.94 117.38 116.03 2zit n GLN 795 Ca 0.08 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.02 2zit n GLN 795 Cb 0.53 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 33.05 2zit n GLN 795 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2zit s MET 796 N 0.00 0.09 0.13 3.69 0.23 -1.26 0.41 119.30 122.59 2zit s MET 796 Ca 0.00 0.14 0.05 0.00 -1.03 0.00 0.00 55.69 54.86 2zit s MET 796 Cb 0.00 0.01 -0.04 0.00 -1.53 0.00 0.00 34.83 33.27 2zit s MET 796 CO 0.00 -0.04 -0.12 0.54 -2.03 0.00 0.00 175.02 173.37 2zit s VAL 797 N 0.21 1.26 0.15 5.16 0.11 -1.17 -4.88 120.40 121.25 2zit s VAL 797 Ca -0.01 -1.83 -0.34 0.00 -2.93 0.00 0.00 61.98 56.87 2zit s VAL 797 Cb -0.02 -1.62 -0.14 0.00 -1.53 0.00 0.00 36.38 33.07 2zit s VAL 797 CO -0.01 -0.53 1.58 0.33 -3.33 0.00 0.00 175.10 173.14 2zit n PHE 798 N 0.29 2.25 0.00 1.54 7.35 -1.26 -0.14 117.46 127.49 2zit n PHE 798 Ca -0.14 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 2zit n PHE 798 Cb 0.58 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.87 2zit n PHE 798 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2zit n ASP 799 N 3.51 0.00 -2.34 -2.13 2.03 0.68 -4.77 116.55 113.53 2zit n ASP 799 Ca 0.17 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.38 2zit n ASP 799 Cb 0.28 -0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.47 2zit n ASP 799 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2zit n HIS 800 N -1.99 -0.87 -4.54 -0.67 1.44 -1.15 -5.01 115.22 102.42 2zit n HIS 800 Ca 0.00 -1.63 -0.34 0.00 -2.01 0.00 0.00 57.72 53.74 2zit n HIS 800 Cb 0.00 0.29 -0.11 0.00 0.12 0.00 0.00 29.99 30.29 2zit n HIS 800 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2zit s TRP 801 N -3.35 2.99 -0.17 -1.40 0.52 -1.26 -1.74 118.94 114.53 2zit s TRP 801 Ca 0.21 -0.02 -0.00 0.00 0.02 0.00 0.00 56.10 56.31 2zit s TRP 801 Cb 0.00 -1.77 0.00 0.00 -1.15 0.00 0.00 33.47 30.55 2zit s TRP 801 CO 0.15 0.28 -0.15 0.45 0.02 0.00 0.00 176.95 177.70 2zit s SER 802 N -0.58 3.65 -0.12 2.95 0.15 0.42 -4.91 113.70 115.26 2zit s SER 802 Ca 0.09 -0.49 -0.29 0.00 0.70 0.00 0.00 55.95 55.95 2zit s SER 802 Cb -0.12 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.60 2zit s SER 802 CO 0.02 0.06 1.17 -0.89 1.20 0.00 0.00 173.24 174.80 2zit s THR 803 N 0.98 4.39 -0.04 6.45 2.01 -1.26 -0.60 115.64 127.57 2zit s THR 803 Ca -0.02 1.69 -0.30 0.00 0.31 0.00 0.00 61.69 63.37 2zit s THR 803 Cb -0.15 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 2zit s THR 803 CO -0.03 -0.07 1.13 -0.76 -0.69 0.00 0.00 174.62 174.21 2zit s LEU 804 N 2.75 4.30 0.34 4.42 1.43 -0.38 -4.94 118.68 126.60 2zit s LEU 804 Ca 0.53 1.77 0.09 0.00 -1.03 0.00 0.00 54.13 55.49 2zit s LEU 804 Cb -0.21 -3.56 0.63 0.00 0.03 0.00 0.00 46.19 43.07 2zit s LEU 804 CO 0.17 -0.50 1.80 1.23 0.23 0.00 0.00 176.35 179.28 2zit h GLY 805 N 7.77 0.19 -1.22 -3.19 0.00 -1.94 -3.41 103.07 101.27 2zit h GLY 805 Ca -0.35 -0.15 -0.50 0.00 0.00 0.00 0.00 47.33 46.33 2zit h GLY 805 CO 0.85 0.14 0.18 -1.35 0.00 0.00 0.00 176.54 176.36 2zit s SER 806 N -6.89 2.57 -0.50 0.19 1.04 -1.26 -4.95 113.70 103.90 2zit s SER 806 Ca -0.04 1.94 -0.23 0.00 0.48 0.00 0.00 55.95 58.10 2zit s SER 806 Cb 0.14 -2.47 0.04 0.00 0.10 0.00 0.00 66.02 63.83 2zit s SER 806 CO 0.75 -3.28 0.81 -0.62 0.98 0.00 0.00 173.24 171.88 2zit s ASP 807 N -2.74 6.34 0.60 7.02 3.68 -1.26 -4.77 116.67 125.54 2zit s ASP 807 Ca 0.66 -0.36 0.30 0.00 2.13 0.00 0.00 52.55 55.28 2zit s ASP 807 Cb -0.23 -2.39 1.68 0.00 -1.45 0.00 0.00 42.92 40.54 2zit s ASP 807 CO 0.59 -1.03 2.08 1.55 0.13 0.00 0.00 175.17 178.49 2zit h PRO 808 N 9.11 0.00 0.00 4.34 0.13 -1.85 0.21 132.00 143.94 2zit h PRO 808 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 2zit h PRO 808 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2zit h PRO 808 CO 1.01 0.00 -0.11 -0.07 -0.23 0.00 0.00 178.00 178.60 2zit h LEU 809 N 0.00 0.00 -8.49 1.56 3.38 -1.91 -3.36 115.31 106.49 2zit h LEU 809 Ca 0.09 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.40 2zit h LEU 809 Cb 0.54 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.14 2zit h LEU 809 CO -0.00 0.11 0.23 -0.62 0.09 0.00 0.00 178.44 178.25 2zit s ASP 810 N -6.18 6.30 0.34 -0.43 2.15 0.06 -4.88 116.67 114.03 2zit s ASP 810 Ca 0.05 -0.55 0.11 0.00 0.43 0.00 0.00 52.55 52.59 2zit s ASP 810 Cb 0.06 -2.34 0.89 0.00 -0.30 0.00 0.00 42.92 41.23 2zit s ASP 810 CO 0.66 -0.95 1.78 -0.65 -0.17 0.00 0.00 175.17 175.84 2zit h PRO 811 N 9.04 0.59 0.00 4.34 0.11 -1.81 -1.36 132.00 142.91 2zit h PRO 811 Ca -0.26 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 2zit h PRO 811 Cb 1.09 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2zit h PRO 811 CO 0.98 0.39 -0.24 1.79 -0.21 0.00 0.00 178.00 180.70 2zit h THR 812 N 0.60 0.64 -3.58 -1.15 1.35 -1.92 -1.52 112.91 107.33 2zit h THR 812 Ca 0.58 -1.11 -0.44 0.00 -0.55 0.00 0.00 66.41 64.89 2zit h THR 812 Cb 1.13 1.73 0.18 0.00 -1.73 0.00 0.00 68.15 69.46 2zit h THR 812 CO -0.35 0.24 0.11 -0.94 -0.25 0.00 0.00 175.52 174.32 2zit s SER 813 N -6.25 1.71 0.29 5.36 1.04 -0.52 -4.77 113.70 110.57 2zit s SER 813 Ca -0.00 1.23 0.02 0.00 0.48 0.00 0.00 55.95 57.68 2zit s SER 813 Cb 0.11 -1.92 0.45 0.00 0.10 0.00 0.00 66.02 64.75 2zit s SER 813 CO 0.64 -3.71 1.78 0.50 0.98 0.00 0.00 173.24 173.44 2zit h LYS 814 N -2.29 0.59 0.11 4.02 3.64 -1.87 -2.18 116.57 118.60 2zit h LYS 814 Ca -0.57 -0.17 -0.29 0.00 -1.27 0.00 0.00 60.65 58.35 2zit h LYS 814 Cb 1.33 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2zit h LYS 814 CO 0.54 0.68 -1.39 0.00 -2.27 0.00 0.00 179.45 177.01 2zit h ALA 815 N 1.35 0.22 -0.84 5.00 0.00 -1.86 -3.31 119.26 119.83 2zit h ALA 815 Ca 0.10 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2zit h ALA 815 Cb 0.49 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2zit h ALA 815 CO 0.03 1.09 0.54 0.78 0.00 0.00 0.00 179.25 181.69 2zit h GLY 816 N 1.79 1.19 1.42 0.00 0.00 -1.52 -1.97 103.07 103.98 2zit h GLY 816 Ca -0.18 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 2zit h GLY 816 CO 0.17 0.45 -0.09 1.05 0.00 0.00 0.00 176.54 178.13 2zit h GLU 817 N 1.14 0.70 -0.70 4.80 4.11 -0.62 0.16 114.58 124.16 2zit h GLU 817 Ca 0.30 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 59.50 2zit h GLU 817 Cb -0.10 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 2zit h GLU 817 CO -0.06 0.77 0.36 0.82 0.07 0.00 0.00 179.01 180.97 2zit h ILE 818 N 0.64 1.22 0.19 -1.06 1.08 -1.54 -1.87 117.51 116.18 2zit h ILE 818 Ca 0.12 -0.59 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 2zit h ILE 818 Cb 0.53 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2zit h ILE 818 CO 0.03 0.25 -0.09 0.58 -0.69 0.00 0.00 178.15 178.23 2zit h VAL 819 N 0.97 0.91 -0.39 1.67 2.07 -0.82 -1.62 116.25 119.03 2zit h VAL 819 Ca 0.24 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.15 2zit h VAL 819 Cb 0.07 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 2zit h VAL 819 CO -0.04 0.15 -0.17 0.25 0.02 0.00 0.00 177.57 177.79 2zit h LEU 820 N -0.61 -0.59 -1.32 2.57 5.85 -0.64 0.81 115.31 121.38 2zit h LEU 820 Ca -0.03 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2zit h LEU 820 Cb 0.45 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2zit h LEU 820 CO 0.04 -0.20 -0.26 0.00 -0.34 0.00 0.00 178.44 177.68 2zit h ALA 821 N 1.21 1.44 -0.02 1.25 0.00 -1.39 -2.18 119.26 119.56 2zit h ALA 821 Ca 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2zit h ALA 821 Cb 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2zit h ALA 821 CO -0.45 0.41 -0.02 0.00 0.00 0.00 0.00 179.25 179.18 2zit h ALA 822 N 1.62 0.03 0.00 0.00 0.00 0.09 -2.16 119.26 118.85 2zit h ALA 822 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2zit h ALA 822 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2zit h ALA 822 CO 0.04 -0.20 0.00 2.89 0.00 0.00 0.00 179.25 181.98 2zit n ARG 823 N -4.81 0.26 0.02 0.00 1.85 0.01 -2.56 116.66 111.43 2zit n ARG 823 Ca -0.08 0.21 -0.18 0.00 -1.00 0.00 0.00 57.85 56.80 2zit n ARG 823 Cb 0.27 -1.80 -0.08 0.00 -1.05 0.00 0.00 32.46 29.80 2zit n ARG 823 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2zit h LYS 824 N 0.00 0.72 0.00 2.89 1.57 -1.41 0.61 116.57 120.95 2zit h LYS 824 Ca 0.00 -0.68 -0.04 0.00 -1.87 0.00 0.00 60.65 58.06 2zit h LYS 824 Cb 0.73 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 2zit h LYS 824 CO 0.00 1.28 -0.17 -0.09 -0.57 0.00 0.00 179.45 179.90 2zit h ARG 825 N 0.45 0.00 -0.00 3.15 2.43 -1.13 -2.05 114.38 117.23 2zit h ARG 825 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2zit h ARG 825 Cb 1.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 2zit h ARG 825 CO 0.18 0.17 -0.53 0.72 -1.51 0.00 0.00 179.97 179.00 2zit n HIS 826 N -3.92 0.00 -2.47 2.20 8.25 -1.06 -4.96 115.22 113.26 2zit n HIS 826 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 2zit n HIS 826 Cb 0.26 -0.18 0.02 0.00 1.12 0.00 0.00 29.99 31.21 2zit n HIS 826 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2zit n GLY 827 N 1.47 0.48 3.69 -1.41 0.00 -0.77 -5.07 105.19 103.58 2zit n GLY 827 Ca 0.07 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 2zit n GLY 827 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2zit s MET 828 N -4.72 2.31 0.19 1.61 -1.94 0.21 -5.02 119.30 111.93 2zit s MET 828 Ca 0.05 -1.54 -0.33 0.00 -1.71 0.00 0.00 55.69 52.17 2zit s MET 828 Cb -0.02 -2.13 -0.14 0.00 2.01 0.00 0.00 34.83 34.54 2zit s MET 828 CO 0.13 0.20 1.39 1.63 -0.01 0.00 0.00 175.02 178.36 2zit n LYS 829 N -1.04 1.77 0.19 2.03 4.76 -1.26 -4.46 118.16 120.15 2zit n LYS 829 Ca -0.04 0.63 0.09 0.00 -2.87 0.00 0.00 58.31 56.12 2zit n LYS 829 Cb 0.61 -2.28 0.62 0.00 -1.84 0.00 0.00 35.03 32.13 2zit n LYS 829 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2zit h GLU 830 N 4.50 0.08 -5.86 1.97 5.08 -1.94 -3.41 114.58 115.00 2zit h GLU 830 Ca -0.45 -0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.31 2zit h GLU 830 Cb 1.29 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 2zit h GLU 830 CO 0.78 0.05 -0.18 -1.21 -1.00 0.00 0.00 179.01 177.45 2zit s GLU 831 N -5.13 4.13 -0.14 2.33 8.01 -1.26 -4.79 118.70 121.86 2zit s GLU 831 Ca -0.05 0.41 -0.29 0.00 0.01 0.00 0.00 54.97 55.04 2zit s GLU 831 Cb 0.17 -3.33 -0.02 0.00 -4.31 0.00 0.00 34.13 26.64 2zit s GLU 831 CO 0.69 0.44 1.36 0.08 0.01 0.00 0.00 175.26 177.83 2zit s VAL 832 N -0.26 4.10 0.05 2.63 1.01 -1.26 -4.94 120.40 121.73 2zit s VAL 832 Ca 0.24 1.34 -0.36 0.00 0.00 0.00 0.00 61.98 63.19 2zit s VAL 832 Cb -0.16 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.21 2zit s VAL 832 CO 0.11 -0.12 1.49 -2.65 0.00 0.00 0.00 175.10 173.94 2zit n PRO 833 N 6.73 1.49 -1.28 2.72 -0.02 -1.26 -4.95 135.00 138.44 2zit n PRO 833 Ca 0.15 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 2zit n PRO 833 Cb 0.44 -2.24 0.11 0.00 -0.02 0.00 0.00 33.50 31.80 2zit n PRO 833 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2zit s GLY 834 N 1.20 1.64 0.50 -1.23 0.00 -1.26 -4.93 107.32 103.24 2zit s GLY 834 Ca 0.85 0.03 0.19 0.00 0.00 0.00 0.00 44.72 45.79 2zit s GLY 834 CO 0.47 0.46 2.08 0.11 0.00 0.00 0.00 173.10 176.22 2zit h TRP 835 N -1.32 0.00 -0.19 1.90 5.08 -1.92 -1.77 115.95 117.73 2zit h TRP 835 Ca -0.47 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.53 2zit h TRP 835 Cb 1.26 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.41 2zit h TRP 835 CO 0.49 0.10 0.13 1.96 -1.28 0.00 0.00 178.44 179.84 2zit h GLN 836 N 0.00 0.13 0.00 0.12 7.50 -1.93 0.17 115.11 121.11 2zit h GLN 836 Ca -0.00 -0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.07 2zit h GLN 836 Cb 0.19 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 2zit h GLN 836 CO 0.01 0.08 -0.32 1.49 -1.50 0.00 0.00 178.83 178.59 2zit h GLU 837 N 0.13 0.00 0.00 1.46 4.81 -1.68 -3.06 114.58 116.24 2zit h GLU 837 Ca 0.08 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 2zit h GLU 837 Cb 0.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2zit h GLU 837 CO -0.01 0.32 -2.09 0.66 -0.73 0.00 0.00 179.01 177.16 2zit n TYR 838 N -3.76 0.00 -0.62 0.92 4.02 -0.54 -4.95 117.16 112.23 2zit n TYR 838 Ca -0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.60 2zit n TYR 838 Cb 0.42 -0.64 0.25 0.00 -0.02 0.00 0.00 39.34 39.35 2zit n TYR 838 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2zit s TYR 839 N -3.18 1.35 0.31 -0.72 5.04 0.50 -4.45 117.35 116.20 2zit s TYR 839 Ca -0.08 1.09 -0.29 0.00 -2.44 0.00 0.00 57.07 55.34 2zit s TYR 839 Cb 0.11 -3.11 -0.10 0.00 0.35 0.00 0.00 41.96 39.21 2zit s TYR 839 CO 0.87 -3.87 1.35 0.34 -1.34 0.00 0.00 175.55 172.90 2zit s ASP 840 N -2.67 6.71 -1.16 4.32 3.68 -0.62 -4.89 116.67 122.05 2zit s ASP 840 Ca 0.68 2.71 -0.19 0.00 2.13 0.00 0.00 52.55 57.88 2zit s ASP 840 Cb -0.24 -2.64 -0.04 0.00 -1.45 0.00 0.00 42.92 38.55 2zit s ASP 840 CO 0.64 -0.60 2.01 0.29 0.13 0.00 0.00 175.17 177.63 2zit n LYS 841 N 1.19 2.28 0.00 4.34 4.76 -1.26 -5.03 118.16 124.43 2zit n LYS 841 Ca 0.02 -2.43 0.00 0.00 -2.87 0.00 0.00 58.31 53.03 2zit n LYS 841 Cb 0.41 -3.25 0.00 0.00 -1.84 0.00 0.00 35.03 30.35 2zit n LYS 841 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31