#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itq h PHE 2 N 0.00 0.02 -0.78 -0.67 3.04 -2.02 -2.03 116.94 114.51 1itq h PHE 2 Ca 0.00 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1itq h PHE 2 Cb 0.00 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.51 1itq h PHE 2 CO 0.00 -0.03 0.39 0.74 -2.02 0.00 0.00 178.31 177.39 1itq h PHE 3 N 0.12 1.11 -0.37 0.41 0.04 -1.99 -1.15 116.94 115.11 1itq h PHE 3 Ca 0.15 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 1itq h PHE 3 Cb 0.20 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1itq h PHE 3 CO -0.21 0.80 -0.02 -0.09 -0.60 0.00 0.00 178.31 178.18 1itq h ARG 4 N 1.09 0.59 -0.09 1.51 9.65 -1.82 0.53 114.38 125.85 1itq h ARG 4 Ca 0.27 -0.14 -0.17 0.00 -1.10 0.00 0.00 59.98 58.84 1itq h ARG 4 Cb 0.09 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1itq h ARG 4 CO -0.04 0.63 -0.66 -0.44 2.80 0.00 0.00 179.97 182.26 1itq h ASP 5 N 0.56 0.42 0.18 -3.80 3.32 -0.89 -2.29 116.42 113.92 1itq h ASP 5 Ca 0.11 -0.26 -0.21 0.00 0.02 0.00 0.00 57.03 56.70 1itq h ASP 5 Cb 0.39 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1itq h ASP 5 CO 0.02 0.96 -0.84 -0.33 -1.72 0.00 0.00 179.24 177.33 1itq h GLU 6 N 0.26 0.51 0.01 3.56 4.39 -0.89 -2.56 114.58 119.85 1itq h GLU 6 Ca -0.02 -0.47 0.01 0.00 0.34 0.00 0.00 59.36 59.23 1itq h GLU 6 Cb 1.20 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 1itq h GLU 6 CO 0.11 1.10 -0.07 0.00 -1.16 0.00 0.00 179.01 178.99 1itq h ALA 7 N 0.75 -0.08 0.00 3.43 0.00 -0.78 0.06 119.26 122.64 1itq h ALA 7 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1itq h ALA 7 Cb 1.45 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1itq h ALA 7 CO 0.15 -0.57 -0.08 0.93 0.00 0.00 0.00 179.25 179.69 1itq h GLU 8 N -0.13 0.00 -0.07 0.00 5.08 -1.43 0.71 114.58 118.74 1itq h GLU 8 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1itq h GLU 8 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1itq h GLU 8 CO -0.07 0.08 -0.12 -0.09 -1.00 0.00 0.00 179.01 177.81 1itq h ARG 9 N 0.00 0.21 -0.55 2.33 2.43 -0.88 -3.00 114.38 114.92 1itq h ARG 9 Ca -0.00 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 1itq h ARG 9 Cb 0.14 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1itq h ARG 9 CO 0.01 0.69 -0.09 0.82 -1.51 0.00 0.00 179.97 179.89 1itq h ILE 10 N -0.26 1.27 0.00 1.20 2.04 -0.59 -3.14 117.51 118.03 1itq h ILE 10 Ca 0.01 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1itq h ILE 10 Cb 0.68 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1itq h ILE 10 CO 0.03 0.44 0.00 0.24 0.00 0.00 0.00 178.15 178.86 1itq h MET 11 N 0.92 0.00 -0.15 2.37 2.86 -0.90 -0.96 114.93 119.06 1itq h MET 11 Ca 0.15 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.62 1itq h MET 11 Cb 0.66 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 1itq h MET 11 CO 0.05 0.00 -0.61 0.00 1.06 0.00 0.00 176.91 177.41 1itq h ARG 12 N 0.00 0.52 -0.02 1.72 3.08 -1.47 -2.54 114.38 115.68 1itq h ARG 12 Ca 0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1itq h ARG 12 Cb 0.34 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1itq h ARG 12 CO 0.00 0.97 -0.31 -0.25 -1.07 0.00 0.00 179.97 179.31 1itq n ASP 13 N -3.93 1.86 -2.95 7.04 10.43 -0.97 -4.61 116.55 123.43 1itq n ASP 13 Ca -0.04 -1.42 -0.12 0.00 2.57 0.00 0.00 54.79 55.78 1itq n ASP 13 Cb 0.64 0.28 -0.01 0.00 1.84 0.00 0.00 41.12 43.86 1itq n ASP 13 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1itq n SER 14 N 0.03 -2.23 -4.71 -2.24 7.64 -0.40 -5.12 113.62 106.58 1itq n SER 14 Ca 0.12 -2.86 -0.33 0.00 1.01 0.00 0.00 58.87 56.80 1itq n SER 14 Cb 0.45 0.97 0.12 0.00 -1.01 0.00 0.00 64.21 64.74 1itq n SER 14 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1itq s PRO 15 N 0.40 1.78 0.21 1.43 0.02 -0.97 -4.32 135.00 133.55 1itq s PRO 15 Ca 0.32 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 1itq s PRO 15 Cb 0.08 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.72 1itq s PRO 15 CO -0.14 -2.09 1.00 0.54 -0.33 0.00 0.00 177.00 175.99 1itq s VAL 16 N -2.26 4.01 -0.35 3.83 0.11 -0.72 -4.02 120.40 121.01 1itq s VAL 16 Ca 0.71 1.89 -0.04 0.00 -2.93 0.00 0.00 61.98 61.61 1itq s VAL 16 Cb -0.26 -4.20 0.06 0.00 -1.53 0.00 0.00 36.38 30.45 1itq s VAL 16 CO 0.50 0.39 0.10 -0.63 -3.33 0.00 0.00 175.10 172.14 1itq s ILE 17 N -0.74 3.40 0.19 7.04 1.01 -0.33 -1.81 121.20 129.95 1itq s ILE 17 Ca 0.45 -1.48 -0.18 0.00 0.00 0.00 0.00 60.65 59.44 1itq s ILE 17 Cb -0.27 -3.05 -0.08 0.00 0.01 0.00 0.00 42.46 39.07 1itq s ILE 17 CO 0.34 -0.31 0.66 -0.62 0.00 0.00 0.00 174.94 175.01 1itq s ASP 18 N 1.51 7.00 0.00 3.58 2.15 -0.68 -4.49 116.67 125.74 1itq s ASP 18 Ca -0.00 1.31 0.25 0.00 0.43 0.00 0.00 52.55 54.54 1itq s ASP 18 Cb -0.21 -2.38 0.51 0.00 -0.30 0.00 0.00 42.92 40.55 1itq s ASP 18 CO -0.00 0.08 1.41 0.61 -0.17 0.00 0.00 175.17 177.09 1itq n GLY 19 N 0.85 -0.69 3.15 2.66 0.00 0.67 -1.99 105.19 109.84 1itq n GLY 19 Ca -0.04 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.58 1itq n GLY 19 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1itq s HIS 20 N -2.65 -1.24 -0.09 1.61 5.65 -1.25 -4.63 115.29 112.69 1itq s HIS 20 Ca 0.19 1.20 0.01 0.00 0.25 0.00 0.00 55.06 56.71 1itq s HIS 20 Cb 0.18 0.39 0.02 0.00 -1.18 0.00 0.00 32.58 31.99 1itq s HIS 20 CO 0.60 -0.69 -0.11 1.21 -0.65 0.00 0.00 174.74 175.10 1itq s ASN 21 N 2.89 1.97 -0.30 9.88 3.84 -1.10 -1.84 114.94 130.28 1itq s ASN 21 Ca 0.13 -0.31 0.01 0.00 0.21 0.00 0.00 52.86 52.90 1itq s ASN 21 Cb -0.12 -0.86 0.36 0.00 -0.55 0.00 0.00 41.25 40.08 1itq s ASN 21 CO -0.19 -0.02 1.67 0.47 -2.79 0.00 0.00 177.10 176.25 1itq n ASP 22 N 4.23 4.36 -0.23 -4.21 9.92 -0.67 -1.00 116.55 128.94 1itq n ASP 22 Ca -0.19 -3.02 -0.03 0.00 -0.53 0.00 0.00 54.79 51.02 1itq n ASP 22 Cb 0.51 -0.79 0.09 0.00 -0.64 0.00 0.00 41.12 40.28 1itq n ASP 22 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1itq h LEU 23 N 1.39 0.61 -0.83 0.64 5.85 -1.83 -2.38 115.31 118.76 1itq h LEU 23 Ca 0.37 0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.30 1itq h LEU 23 Cb 1.77 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 42.57 1itq h LEU 23 CO 0.73 0.41 0.31 -0.65 -0.34 0.00 0.00 178.44 178.90 1itq h PRO 24 N 0.74 0.36 -0.38 5.25 0.11 -1.81 0.64 132.00 136.91 1itq h PRO 24 Ca 0.29 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.34 1itq h PRO 24 Cb 0.11 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1itq h PRO 24 CO -0.15 0.24 0.10 2.35 -0.21 0.00 0.00 178.00 180.33 1itq h TRP 25 N 0.37 0.56 -0.34 0.65 2.91 -1.67 -1.56 115.95 116.86 1itq h TRP 25 Ca 0.49 -0.03 -0.14 0.00 1.13 0.00 0.00 58.89 60.34 1itq h TRP 25 Cb 0.88 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 29.36 1itq h TRP 25 CO -0.19 0.48 -0.35 1.96 -1.03 0.00 0.00 178.44 179.31 1itq h GLN 26 N 0.54 0.84 -0.67 2.65 1.08 0.41 -0.09 115.11 119.87 1itq h GLN 26 Ca 0.13 -0.45 -0.01 0.00 -1.45 0.00 0.00 58.65 56.87 1itq h GLN 26 Cb 0.19 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1itq h GLN 26 CO -0.01 1.09 0.37 -0.07 -0.95 0.00 0.00 178.83 179.26 1itq h LEU 27 N 0.62 0.82 0.25 1.46 3.38 -0.70 0.34 115.31 121.47 1itq h LEU 27 Ca 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1itq h LEU 27 Cb 0.94 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1itq h LEU 27 CO 0.09 0.65 -0.12 0.25 0.09 0.00 0.00 178.44 179.40 1itq h LEU 28 N 0.93 -0.28 -1.11 1.67 5.85 -1.14 -1.78 115.31 119.45 1itq h LEU 28 Ca 0.24 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1itq h LEU 28 Cb 0.01 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1itq h LEU 28 CO -0.04 0.16 0.61 -0.78 -0.34 0.00 0.00 178.44 178.05 1itq h ASP 29 N -0.81 0.99 0.23 1.25 -0.00 -0.66 -0.02 116.42 117.41 1itq h ASP 29 Ca -0.03 -0.01 -0.35 0.00 -0.00 0.00 0.00 57.03 56.64 1itq h ASP 29 Cb 0.51 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.60 1itq h ASP 29 CO 0.06 0.67 -1.83 0.24 -0.00 0.00 0.00 179.24 178.37 1itq h MET 30 N 1.14 0.27 0.00 0.28 2.86 -0.40 -3.42 114.93 115.67 1itq h MET 30 Ca 0.37 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1itq h MET 30 Cb 0.04 0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1itq h MET 30 CO -0.12 1.15 0.00 1.19 1.06 0.00 0.00 176.91 180.19 1itq n PHE 31 N -3.46 0.00 -3.35 -0.22 3.72 -0.72 -5.00 117.46 108.42 1itq n PHE 31 Ca -0.26 -0.12 -0.22 0.00 -0.05 0.00 0.00 57.45 56.80 1itq n PHE 31 Cb 1.06 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 39.65 1itq n PHE 31 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1itq n ASN 32 N -0.12 -6.01 -0.33 4.37 2.85 -0.02 -2.22 115.26 113.77 1itq n ASN 32 Ca 0.00 -0.43 -0.04 0.00 -0.11 0.00 0.00 54.58 54.00 1itq n ASN 32 Cb 0.15 -4.69 -0.02 0.00 1.24 0.00 0.00 39.78 36.46 1itq n ASN 32 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1itq n ASN 33 N -2.54 -4.96 -4.56 1.20 3.02 -0.90 -4.93 115.26 101.60 1itq n ASN 33 Ca -0.03 0.11 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 1itq n ASN 33 Cb 0.57 -2.84 -0.03 0.00 -0.61 0.00 0.00 39.78 36.87 1itq n ASN 33 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1itq s ARG 34 N -1.93 3.44 0.49 3.52 0.52 -0.94 -4.81 118.95 119.24 1itq s ARG 34 Ca 0.00 -0.88 0.28 0.00 -0.52 0.00 0.00 55.73 54.61 1itq s ARG 34 Cb 0.00 -5.11 0.95 0.00 0.52 0.00 0.00 34.95 31.31 1itq s ARG 34 CO 0.00 -2.27 1.83 -0.07 0.02 0.00 0.00 175.30 174.81 1itq h LEU 35 N 13.19 0.00 -0.07 2.53 3.38 -1.91 -2.97 115.31 129.46 1itq h LEU 35 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1itq h LEU 35 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1itq h LEU 35 CO 1.39 0.05 0.00 0.00 0.09 0.00 0.00 178.44 179.96 1itq n GLN 36 N -3.14 0.16 -1.81 1.13 6.02 -1.26 -4.56 117.38 113.92 1itq n GLN 36 Ca 0.02 0.17 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 1itq n GLN 36 Cb 0.41 -1.70 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 1itq n GLN 36 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1itq s ASP 37 N -3.94 6.42 0.51 1.08 -1.08 -1.12 -4.88 116.67 113.66 1itq s ASP 37 Ca 0.11 2.87 0.29 0.00 -0.52 0.00 0.00 52.55 55.29 1itq s ASP 37 Cb 0.14 -2.62 1.27 0.00 -1.46 0.00 0.00 42.92 40.25 1itq s ASP 37 CO 0.54 -0.90 1.97 -0.08 0.52 0.00 0.00 175.17 177.22 1itq h GLU 38 N 5.53 0.00 -0.10 4.34 4.57 -1.90 -1.60 114.58 125.43 1itq h GLU 38 Ca -0.45 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.64 1itq h GLU 38 Cb 1.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1itq h GLU 38 CO 0.84 0.12 -0.32 0.00 -1.18 0.00 0.00 179.01 178.48 1itq h ARG 39 N 0.00 0.18 -0.00 1.92 3.08 -1.95 -2.75 114.38 114.86 1itq h ARG 39 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1itq h ARG 39 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1itq h ARG 39 CO 0.02 0.49 -0.00 0.00 -1.07 0.00 0.00 179.97 179.40 1itq n ALA 40 N -2.48 2.64 -1.70 0.04 0.00 -0.61 -4.65 120.51 113.76 1itq n ALA 40 Ca -0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1itq n ALA 40 Cb 0.40 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1itq n ALA 40 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1itq s ASN 41 N -2.14 6.13 0.32 0.00 3.84 -1.04 -4.87 114.94 117.19 1itq s ASN 41 Ca 0.43 2.32 0.25 0.00 0.21 0.00 0.00 52.86 56.07 1itq s ASN 41 Cb 0.22 -2.52 1.15 0.00 -0.55 0.00 0.00 41.25 39.54 1itq s ASN 41 CO 0.39 -1.36 1.75 -0.07 -2.79 0.00 0.00 177.10 175.02 1itq h LEU 42 N 12.15 0.00 0.00 3.21 3.38 -1.91 0.31 115.31 132.45 1itq h LEU 42 Ca -0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1itq h LEU 42 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1itq h LEU 42 CO 0.95 0.00 -0.53 0.71 0.09 0.00 0.00 178.44 179.66 1itq h THR 43 N 0.00 0.27 0.00 0.22 1.35 -1.96 0.84 112.91 113.64 1itq h THR 43 Ca 0.00 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1itq h THR 43 Cb 0.24 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1itq h THR 43 CO 0.00 0.15 -0.01 0.35 -0.25 0.00 0.00 175.52 175.76 1itq n THR 44 N -3.00 0.67 -1.72 6.82 -2.24 -0.99 -4.50 114.28 109.32 1itq n THR 44 Ca 0.01 -0.69 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 1itq n THR 44 Cb 0.62 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1itq n THR 44 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1itq n LEU 45 N -0.36 3.95 -4.21 3.22 7.94 0.11 -4.96 117.00 122.67 1itq n LEU 45 Ca 0.01 1.09 -0.20 0.00 -1.11 0.00 0.00 56.01 55.80 1itq n LEU 45 Cb 0.37 -1.56 -0.12 0.00 0.53 0.00 0.00 43.42 42.64 1itq n LEU 45 CO 0.00 0.09 -0.47 0.00 -1.11 0.00 0.00 177.39 175.90 1itq s ALA 46 N 0.81 1.40 0.00 1.96 0.00 -1.26 -4.78 121.76 119.88 1itq s ALA 46 Ca 0.73 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1itq s ALA 46 Cb -0.53 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1itq s ALA 46 CO 0.38 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1itq n GLY 47 N 1.09 0.94 3.25 0.00 0.00 -1.26 -5.08 105.19 104.13 1itq n GLY 47 Ca -0.20 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1itq n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1itq s THR 48 N -2.00 0.47 -0.58 2.61 -4.23 -1.26 -5.04 115.64 105.62 1itq s THR 48 Ca 0.00 -1.98 0.24 0.00 -1.18 0.00 0.00 61.69 58.77 1itq s THR 48 Cb 0.00 -2.35 0.18 0.00 1.34 0.00 0.00 72.50 71.67 1itq s THR 48 CO 0.00 -0.24 1.50 0.45 -0.54 0.00 0.00 174.62 175.79 1itq h HIS 49 N 2.59 0.00 -4.05 3.99 3.86 -1.94 -3.46 115.15 116.14 1itq h HIS 49 Ca -0.37 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.20 1itq h HIS 49 Cb 1.23 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 29.46 1itq h HIS 49 CO 0.47 0.00 -0.86 0.99 0.86 0.00 0.00 177.93 179.39 1itq s THR 50 N -3.18 1.99 -0.05 2.45 2.01 -1.26 -2.25 115.64 115.35 1itq s THR 50 Ca 0.07 -1.52 -0.31 0.00 0.31 0.00 0.00 61.69 60.24 1itq s THR 50 Cb 0.11 -1.75 0.13 0.00 0.01 0.00 0.00 72.50 71.00 1itq s THR 50 CO 0.68 0.13 1.33 0.54 -0.69 0.00 0.00 174.62 176.61 1itq s ASN 51 N -1.68 -0.04 0.08 3.53 2.20 -1.26 -4.92 114.94 112.85 1itq s ASN 51 Ca 0.10 -0.09 -0.31 0.00 -0.94 0.00 0.00 52.86 51.62 1itq s ASN 51 Cb -0.10 0.11 -0.16 0.00 -2.00 0.00 0.00 41.25 39.11 1itq s ASN 51 CO 0.04 -0.21 1.63 0.40 -2.94 0.00 0.00 177.10 176.02 1itq h ILE 52 N 2.00 0.39 -0.87 0.54 2.04 -1.12 0.22 117.51 120.71 1itq h ILE 52 Ca -0.31 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.63 1itq h ILE 52 Cb 1.20 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 1itq h ILE 52 CO 0.29 0.00 0.56 1.55 0.00 0.00 0.00 178.15 180.55 1itq h PRO 53 N -0.73 0.91 -0.32 2.37 0.13 -1.79 -1.36 132.00 131.21 1itq h PRO 53 Ca -0.05 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.89 1itq h PRO 53 Cb 0.60 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1itq h PRO 53 CO 0.04 0.60 -0.35 0.87 -0.23 0.00 0.00 178.00 178.94 1itq h LYS 54 N 0.93 0.71 -0.57 0.86 1.57 -1.90 -2.35 116.57 115.82 1itq h LYS 54 Ca 0.38 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1itq h LYS 54 Cb 0.27 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1itq h LYS 54 CO -0.15 0.95 0.09 -0.07 -0.57 0.00 0.00 179.45 179.70 1itq h LEU 55 N 0.59 0.86 -0.46 2.94 3.38 -0.08 -2.17 115.31 120.37 1itq h LEU 55 Ca 0.06 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 1itq h LEU 55 Cb 0.87 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1itq h LEU 55 CO 0.08 0.86 -0.48 0.03 0.09 0.00 0.00 178.44 179.02 1itq h ARG 56 N 0.86 0.74 0.00 1.13 2.47 -1.15 -2.71 114.38 115.71 1itq h ARG 56 Ca 0.18 -0.43 -0.04 0.00 -1.26 0.00 0.00 59.98 58.43 1itq h ARG 56 Cb 0.38 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1itq h ARG 56 CO 0.01 1.05 -0.17 0.00 0.56 0.00 0.00 179.97 181.42 1itq h ALA 57 N 0.87 0.95 -0.01 0.04 0.00 -1.29 -3.00 119.26 116.82 1itq h ALA 57 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1itq h ALA 57 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1itq h ALA 57 CO 0.10 0.21 -0.09 0.41 0.00 0.00 0.00 179.25 179.89 1itq n GLY 58 N 0.55 -0.37 2.84 0.00 0.00 -0.83 -4.82 105.19 102.56 1itq n GLY 58 Ca 0.01 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1itq n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1itq n PHE 59 N -0.30 -1.71 -2.92 1.61 3.01 -1.13 -4.26 117.46 111.76 1itq n PHE 59 Ca 0.17 0.47 -0.41 0.00 1.01 0.00 0.00 57.45 58.68 1itq n PHE 59 Cb 0.32 -3.98 -0.04 0.00 -0.01 0.00 0.00 39.48 35.77 1itq n PHE 59 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1itq s VAL 60 N -3.09 4.90 0.00 -4.37 1.01 -1.03 -1.76 120.40 116.06 1itq s VAL 60 Ca 0.27 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1itq s VAL 60 Cb -0.12 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1itq s VAL 60 CO 0.33 0.03 0.78 0.61 0.00 0.00 0.00 175.10 176.86 1itq n GLY 61 N 3.53 1.18 3.45 4.51 0.00 -0.75 -4.70 105.19 112.40 1itq n GLY 61 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1itq n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1itq s GLY 62 N -0.60 -0.46 -0.10 -0.02 0.00 -1.03 -1.30 107.32 103.81 1itq s GLY 62 Ca 0.00 1.86 -0.04 0.00 0.00 0.00 0.00 44.72 46.54 1itq s GLY 62 CO 0.00 1.86 0.21 1.62 0.00 0.00 0.00 173.10 176.80 1itq s GLN 63 N 1.23 0.11 -0.52 2.90 2.00 0.10 -1.69 119.66 123.79 1itq s GLN 63 Ca -0.07 0.62 -0.24 0.00 -2.00 0.00 0.00 55.36 53.67 1itq s GLN 63 Cb -0.06 -0.14 0.04 0.00 0.80 0.00 0.00 33.01 33.65 1itq s GLN 63 CO -0.12 -0.26 0.88 -0.06 -0.50 0.00 0.00 175.29 175.23 1itq s PHE 64 N 2.07 2.87 -0.10 1.67 0.08 -0.84 -1.41 117.98 122.32 1itq s PHE 64 Ca -0.01 0.02 -0.29 0.00 0.12 0.00 0.00 56.93 56.77 1itq s PHE 64 Cb -0.12 -3.93 -0.02 0.00 -0.57 0.00 0.00 43.02 38.38 1itq s PHE 64 CO -0.07 -1.22 0.97 -1.58 -0.10 0.00 0.00 175.22 173.21 1itq s TRP 65 N 3.68 3.52 -0.08 0.36 0.52 -0.08 -2.72 118.94 124.13 1itq s TRP 65 Ca 0.30 1.55 -0.30 0.00 0.02 0.00 0.00 56.10 57.67 1itq s TRP 65 Cb -0.13 -3.14 -0.02 0.00 -1.15 0.00 0.00 33.47 29.03 1itq s TRP 65 CO 0.20 -0.19 1.11 0.45 0.02 0.00 0.00 176.95 178.54 1itq s SER 66 N 1.08 7.14 -0.49 2.95 0.15 -0.17 -2.01 113.70 122.35 1itq s SER 66 Ca 0.47 1.67 -0.12 0.00 0.70 0.00 0.00 55.95 58.67 1itq s SER 66 Cb -0.18 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.69 1itq s SER 66 CO 0.18 -0.52 0.40 -0.69 1.20 0.00 0.00 173.24 173.81 1itq s VAL 67 N 2.14 4.63 -0.02 4.45 1.01 -0.20 -4.43 120.40 127.97 1itq s VAL 67 Ca 0.52 -1.60 0.05 0.00 0.00 0.00 0.00 61.98 60.95 1itq s VAL 67 Cb -0.21 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1itq s VAL 67 CO 0.20 -0.77 -0.19 -0.47 0.00 0.00 0.00 175.10 173.87 1itq s TYR 68 N 1.47 1.73 -0.05 5.22 6.14 -1.26 -1.68 117.35 128.92 1itq s TYR 68 Ca 0.04 -0.38 0.02 0.00 0.64 0.00 0.00 57.07 57.39 1itq s TYR 68 Cb -0.27 -1.13 0.02 0.00 0.42 0.00 0.00 41.96 41.00 1itq s TYR 68 CO 0.01 -0.07 -0.08 -0.08 0.64 0.00 0.00 175.55 175.97 1itq s THR 69 N -0.31 0.80 0.74 4.34 -1.32 -1.26 -4.85 115.64 113.78 1itq s THR 69 Ca 0.04 -0.29 -0.16 0.00 -1.21 0.00 0.00 61.69 60.08 1itq s THR 69 Cb -0.09 -0.77 -0.02 0.00 -1.51 0.00 0.00 72.50 70.11 1itq s THR 69 CO 0.00 0.28 0.60 -2.65 -2.21 0.00 0.00 174.62 170.64 1itq n PRO 70 N 3.90 0.28 0.19 7.08 -0.02 -1.26 -4.88 135.00 140.29 1itq n PRO 70 Ca -0.24 0.14 0.15 0.00 -2.02 0.00 0.00 63.50 61.52 1itq n PRO 70 Cb 0.51 -1.90 0.76 0.00 -0.02 0.00 0.00 33.50 32.85 1itq n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1itq n ASP 72 N -4.15 0.00 0.04 0.00 3.85 -1.26 -2.15 116.55 112.88 1itq n ASP 72 Ca 0.01 -0.23 0.11 0.00 -0.71 0.00 0.00 54.79 53.98 1itq n ASP 72 Cb 0.27 -0.19 0.07 0.00 -1.35 0.00 0.00 41.12 39.93 1itq n ASP 72 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1itq n THR 73 N -1.19 0.22 -1.73 2.12 -2.24 -0.47 -4.81 114.28 106.19 1itq n THR 73 Ca 0.12 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1itq n THR 73 Cb 0.13 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 1itq n THR 73 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1itq n GLN 74 N -2.00 2.72 -1.42 -0.78 7.27 -0.92 -0.89 117.38 121.37 1itq n GLN 74 Ca 0.02 0.97 -0.11 0.00 0.07 0.00 0.00 57.00 57.95 1itq n GLN 74 Cb 0.44 -2.78 -0.04 0.00 2.41 0.00 0.00 30.24 30.26 1itq n GLN 74 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1itq n ASN 75 N 2.96 -4.32 0.00 1.69 3.02 -1.26 -4.87 115.26 112.48 1itq n ASN 75 Ca 0.12 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1itq n ASN 75 Cb 0.36 -2.90 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 1itq n ASN 75 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1itq n LYS 76 N -2.61 0.00 -0.80 3.52 5.02 -0.06 -4.34 118.16 118.89 1itq n LYS 76 Ca -0.12 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.13 1itq n LYS 76 Cb 0.40 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.61 1itq n LYS 76 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1itq n ASP 77 N 0.00 2.72 -0.33 4.39 3.85 -0.94 -4.74 116.55 121.50 1itq n ASP 77 Ca 0.00 -3.68 0.03 0.00 -0.71 0.00 0.00 54.79 50.43 1itq n ASP 77 Cb 0.00 -0.64 0.18 0.00 -1.35 0.00 0.00 41.12 39.31 1itq n ASP 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1itq h ALA 78 N 1.09 1.29 -0.14 2.12 0.00 -1.69 -1.17 119.26 120.77 1itq h ALA 78 Ca 0.23 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1itq h ALA 78 Cb 1.73 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.33 1itq h ALA 78 CO 0.43 0.22 -0.54 0.28 0.00 0.00 0.00 179.25 179.64 1itq h VAL 79 N 0.94 1.34 0.46 0.00 2.07 -1.83 -1.80 116.25 117.43 1itq h VAL 79 Ca 0.42 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1itq h VAL 79 Cb 0.32 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1itq h VAL 79 CO -0.22 0.56 -0.40 -0.09 0.02 0.00 0.00 177.57 177.44 1itq h ARG 80 N 0.25 -0.83 -0.15 1.57 2.43 -1.83 -2.23 114.38 113.60 1itq h ARG 80 Ca -0.03 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1itq h ARG 80 Cb 1.17 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1itq h ARG 80 CO 0.11 -0.55 0.09 0.00 -1.51 0.00 0.00 179.97 178.11 1itq h ARG 81 N -0.86 0.19 -0.59 0.20 3.08 -1.29 -1.10 114.38 114.01 1itq h ARG 81 Ca -0.05 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1itq h ARG 81 Cb 0.74 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 1itq h ARG 81 CO -0.03 0.14 0.13 1.15 -1.07 0.00 0.00 179.97 180.30 1itq h THR 82 N 0.20 1.24 -0.30 2.04 2.02 -0.94 0.35 112.91 117.52 1itq h THR 82 Ca 0.05 -0.89 -0.16 0.00 0.77 0.00 0.00 66.41 66.18 1itq h THR 82 Cb -0.01 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1itq h THR 82 CO -0.01 0.33 -0.45 -0.07 0.37 0.00 0.00 175.52 175.69 1itq h LEU 83 N 0.89 0.91 -0.55 2.58 3.38 -0.64 -1.21 115.31 120.66 1itq h LEU 83 Ca 0.19 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1itq h LEU 83 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1itq h LEU 83 CO 0.00 1.25 0.23 -0.33 0.09 0.00 0.00 178.44 179.68 1itq h GLU 84 N 0.60 0.81 -0.21 1.13 5.08 -0.95 0.32 114.58 121.37 1itq h GLU 84 Ca 0.03 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1itq h GLU 84 Cb 1.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1itq h GLU 84 CO 0.10 0.69 -0.35 1.96 -1.00 0.00 0.00 179.01 180.42 1itq h GLN 85 N 0.75 0.45 -0.15 2.33 1.08 -0.91 0.07 115.11 118.73 1itq h GLN 85 Ca 0.19 -0.20 -0.16 0.00 -1.45 0.00 0.00 58.65 57.03 1itq h GLN 85 Cb 0.17 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1itq h GLN 85 CO -0.02 0.74 -0.58 0.52 -0.95 0.00 0.00 178.83 178.54 1itq h MET 86 N 0.38 0.47 -0.30 1.46 2.86 -0.84 -2.94 114.93 116.02 1itq h MET 86 Ca 0.04 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1itq h MET 86 Cb 0.79 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1itq h MET 86 CO 0.06 0.92 0.16 0.22 1.06 0.00 0.00 176.91 179.33 1itq h ASP 87 N 0.35 0.38 -0.52 1.22 3.58 0.49 -1.97 116.42 119.95 1itq h ASP 87 Ca -0.00 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.38 1itq h ASP 87 Cb 1.12 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1itq h ASP 87 CO 0.10 0.37 0.35 1.62 -2.88 0.00 0.00 179.24 178.80 1itq h VAL 88 N 0.36 1.06 -0.33 2.25 3.04 -0.95 -0.57 116.25 121.11 1itq h VAL 88 Ca 0.10 -0.20 -0.08 0.00 -1.01 0.00 0.00 66.70 65.51 1itq h VAL 88 Cb 0.08 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 29.76 1itq h VAL 88 CO -0.02 0.11 -0.10 0.58 -1.01 0.00 0.00 177.57 177.13 1itq h VAL 89 N 0.59 1.28 -0.15 1.51 2.07 -1.28 0.31 116.25 120.59 1itq h VAL 89 Ca 0.21 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1itq h VAL 89 Cb 0.10 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1itq h VAL 89 CO -0.05 0.38 0.09 0.45 0.02 0.00 0.00 177.57 178.46 1itq h HIS 90 N 0.42 0.19 -0.41 1.57 -0.00 -0.55 -2.28 115.15 114.10 1itq h HIS 90 Ca 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 1itq h HIS 90 Cb 0.61 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 1itq h HIS 90 CO 0.05 0.14 0.02 0.00 -0.00 0.00 0.00 177.93 178.15 1itq h ARG 91 N 0.18 0.70 -0.82 2.45 3.08 -1.06 -2.20 114.38 116.71 1itq h ARG 91 Ca 0.05 -0.21 0.14 0.00 0.07 0.00 0.00 59.98 60.03 1itq h ARG 91 Cb 0.00 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 29.89 1itq h ARG 91 CO -0.01 0.77 0.41 1.98 -1.07 0.00 0.00 179.97 182.05 1itq h MET 92 N 0.54 0.59 -0.16 0.04 4.05 -0.82 0.94 114.93 120.10 1itq h MET 92 Ca 0.12 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.37 1itq h MET 92 Cb 0.44 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1itq h MET 92 CO 0.02 0.39 -0.46 0.00 0.23 0.00 0.00 176.91 177.09 1itq h ARG 94 N 0.32 0.61 -0.05 0.00 2.47 0.05 -3.12 114.38 114.67 1itq h ARG 94 Ca 0.02 -0.46 -0.14 0.00 -1.26 0.00 0.00 59.98 58.14 1itq h ARG 94 Cb 0.93 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.32 1itq h ARG 94 CO 0.08 1.08 -0.60 1.98 0.56 0.00 0.00 179.97 183.08 1itq h MET 95 N 0.43 0.18 -2.17 0.04 4.05 0.88 -3.34 114.93 115.01 1itq h MET 95 Ca -0.02 -0.12 -0.59 0.00 -0.28 0.00 0.00 59.70 58.68 1itq h MET 95 Cb 1.28 0.02 -0.41 0.00 -0.80 0.00 0.00 31.60 31.68 1itq h MET 95 CO 0.13 0.72 -0.71 0.66 0.23 0.00 0.00 176.91 177.94 1itq n TYR 96 N -3.87 2.93 0.28 1.39 4.01 -0.79 -4.91 117.16 116.19 1itq n TYR 96 Ca -0.02 -4.02 0.15 0.00 -0.16 0.00 0.00 57.90 53.85 1itq n TYR 96 Cb 0.61 -0.51 0.79 0.00 -0.31 0.00 0.00 39.34 39.92 1itq n TYR 96 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1itq h PRO 97 N 3.87 0.00 -0.01 -0.72 0.13 -1.67 -0.68 132.00 132.93 1itq h PRO 97 Ca 0.16 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.16 1itq h PRO 97 Cb 0.68 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 1itq h PRO 97 CO 0.76 0.09 -0.61 1.05 -0.23 0.00 0.00 178.00 179.06 1itq h GLU 98 N 0.00 0.02 0.00 0.86 9.09 -1.91 -3.37 114.58 119.27 1itq h GLU 98 Ca -0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.39 1itq h GLU 98 Cb 0.31 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1itq h GLU 98 CO 0.01 0.62 -0.88 2.41 0.05 0.00 0.00 179.01 181.23 1itq n THR 99 N -3.82 1.48 -3.00 -1.06 -1.04 -0.97 -4.83 114.28 101.03 1itq n THR 99 Ca -0.01 0.16 -0.38 0.00 -2.04 0.00 0.00 64.05 61.77 1itq n THR 99 Cb 0.61 -2.36 -0.06 0.00 -1.82 0.00 0.00 70.33 66.69 1itq n THR 99 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1itq s PHE 100 N -2.74 3.83 -0.32 -1.42 0.08 -0.30 -0.77 117.98 116.34 1itq s PHE 100 Ca -0.25 1.58 -0.01 0.00 0.12 0.00 0.00 56.93 58.36 1itq s PHE 100 Cb 0.04 -2.74 0.11 0.00 -0.57 0.00 0.00 43.02 39.85 1itq s PHE 100 CO 0.38 0.45 0.13 -1.17 -0.10 0.00 0.00 175.22 174.91 1itq s LEU 101 N -1.41 1.61 -0.02 -0.37 2.96 -0.93 -4.50 118.68 116.02 1itq s LEU 101 Ca 0.38 -1.68 -0.30 0.00 -0.22 0.00 0.00 54.13 52.32 1itq s LEU 101 Cb -0.21 -0.67 -0.08 0.00 0.50 0.00 0.00 46.19 45.73 1itq s LEU 101 CO 0.25 -0.40 1.92 -0.47 -1.32 0.00 0.00 176.35 176.33 1itq s TYR 102 N 1.59 1.42 0.23 5.38 5.04 -1.26 -0.77 117.35 128.99 1itq s TYR 102 Ca 0.11 -0.20 0.05 0.00 -2.44 0.00 0.00 57.07 54.59 1itq s TYR 102 Cb -0.18 -4.14 -0.05 0.00 0.35 0.00 0.00 41.96 37.93 1itq s TYR 102 CO -0.24 -5.01 -0.06 0.14 -1.34 0.00 0.00 175.55 169.04 1itq s VAL 103 N 4.82 1.35 -0.00 3.14 -7.23 0.14 -4.87 120.40 117.74 1itq s VAL 103 Ca 0.86 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1itq s VAL 103 Cb -0.39 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1itq s VAL 103 CO 0.38 -0.43 0.55 0.35 -0.31 0.00 0.00 175.10 175.65 1itq n THR 104 N -0.43 0.09 -4.11 5.32 -2.24 -1.26 -4.31 114.28 107.33 1itq n THR 104 Ca -0.06 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 1itq n THR 104 Cb 0.63 0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 69.72 1itq n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1itq s SER 105 N -0.11 0.09 0.17 3.42 1.04 -1.26 -4.96 113.70 112.09 1itq s SER 105 Ca 0.00 -1.19 -0.09 0.00 0.48 0.00 0.00 55.95 55.15 1itq s SER 105 Cb 0.00 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.60 1itq s SER 105 CO 0.00 -0.92 1.59 0.77 0.98 0.00 0.00 173.24 175.66 1itq h SER 106 N 2.54 1.02 0.43 7.02 4.64 -1.96 -2.16 113.55 125.08 1itq h SER 106 Ca -0.33 -0.35 -0.05 0.00 -0.47 0.00 0.00 61.79 60.59 1itq h SER 106 Cb 1.24 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1itq h SER 106 CO 0.48 1.15 -0.23 0.00 -0.87 0.00 0.00 176.83 177.36 1itq h ALA 107 N 0.93 1.32 -0.49 5.18 0.00 -1.99 -2.15 119.26 122.06 1itq h ALA 107 Ca 0.13 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1itq h ALA 107 Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1itq h ALA 107 CO 0.05 0.29 -0.22 0.78 0.00 0.00 0.00 179.25 180.16 1itq h GLY 108 N 1.09 1.10 0.99 0.00 0.00 -1.81 -0.78 103.07 103.66 1itq h GLY 108 Ca -0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 47.33 46.30 1itq h GLY 108 CO 0.03 0.89 0.10 -2.22 0.00 0.00 0.00 176.54 175.34 1itq h ILE 109 N 0.87 1.25 -0.03 2.60 2.04 -1.06 -0.48 117.51 122.69 1itq h ILE 109 Ca 0.11 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 1itq h ILE 109 Cb 0.80 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1itq h ILE 109 CO 0.07 0.33 -0.19 0.03 0.00 0.00 0.00 178.15 178.38 1itq h ARG 110 N 0.73 0.05 -0.00 2.37 3.08 -1.21 -1.62 114.38 117.77 1itq h ARG 110 Ca 0.16 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 1itq h ARG 110 Cb 0.37 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.43 1itq h ARG 110 CO 0.01 0.24 -0.54 0.37 -1.07 0.00 0.00 179.97 178.98 1itq h GLN 111 N 0.05 0.37 -0.81 0.04 5.75 -0.65 -2.48 115.11 117.37 1itq h GLN 111 Ca 0.01 -0.40 0.16 0.00 -0.15 0.00 0.00 58.65 58.27 1itq h GLN 111 Cb 0.37 0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.97 1itq h GLN 111 CO 0.03 1.07 0.53 0.00 -2.65 0.00 0.00 178.83 177.81 1itq h ALA 112 N 0.31 2.08 0.29 3.38 0.00 -0.70 -0.54 119.26 124.08 1itq h ALA 112 Ca -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1itq h ALA 112 Cb 1.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1itq h ALA 112 CO 0.11 -0.31 -0.14 0.74 0.00 0.00 0.00 179.25 179.65 1itq h PHE 113 N 0.46 -0.36 -0.91 0.00 0.05 -1.20 0.19 116.94 115.16 1itq h PHE 113 Ca 0.40 -0.01 0.05 0.00 3.82 0.00 0.00 57.97 62.23 1itq h PHE 113 Cb 0.89 0.12 -0.05 0.00 2.00 0.00 0.00 35.95 38.90 1itq h PHE 113 CO -0.00 -0.08 0.60 0.00 -0.18 0.00 0.00 178.31 178.64 1itq h ARG 114 N -0.61 1.08 -0.00 1.51 3.08 -0.69 -2.53 114.38 116.22 1itq h ARG 114 Ca -0.04 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1itq h ARG 114 Cb 0.44 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1itq h ARG 114 CO 0.07 0.71 -0.02 0.39 -1.07 0.00 0.00 179.97 180.05 1itq n GLU 115 N -4.46 0.93 -1.93 0.04 1.02 -0.38 -4.92 120.64 110.96 1itq n GLU 115 Ca 0.13 -0.17 -0.07 0.00 -0.02 0.00 0.00 57.16 57.03 1itq n GLU 115 Cb 0.13 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 1itq n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1itq n GLY 116 N 1.12 0.27 3.66 0.62 0.00 -0.88 -5.04 105.19 104.95 1itq n GLY 116 Ca 0.20 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 1itq n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itq s LYS 117 N -3.95 2.30 -0.56 1.61 1.02 0.61 -4.98 119.74 115.79 1itq s LYS 117 Ca 0.00 -1.45 -0.22 0.00 0.02 0.00 0.00 55.97 54.31 1itq s LYS 117 Cb 0.00 -2.15 0.05 0.00 -0.52 0.00 0.00 37.83 35.21 1itq s LYS 117 CO 0.00 0.31 0.85 0.08 -0.92 0.00 0.00 175.35 175.67 1itq s VAL 118 N -2.35 4.53 0.08 3.17 1.01 0.05 -4.29 120.40 122.59 1itq s VAL 118 Ca 0.33 -0.10 -0.33 0.00 0.00 0.00 0.00 61.98 61.88 1itq s VAL 118 Cb -0.05 -4.50 -0.12 0.00 0.00 0.00 0.00 36.38 31.71 1itq s VAL 118 CO 0.20 -1.09 1.77 0.00 0.00 0.00 0.00 175.10 175.98 1itq n ALA 119 N 7.10 1.60 -3.68 5.51 0.00 -0.42 -2.20 120.51 128.42 1itq n ALA 119 Ca -0.02 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 1itq n ALA 119 Cb 0.46 -2.50 -0.14 0.00 0.00 0.00 0.00 19.45 17.27 1itq n ALA 119 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1itq s SER 120 N 2.52 4.11 0.38 0.00 0.01 0.05 0.01 113.70 120.79 1itq s SER 120 Ca 0.84 -0.62 0.08 0.00 1.31 0.00 0.00 55.95 57.55 1itq s SER 120 Cb -0.60 -1.67 -0.07 0.00 0.21 0.00 0.00 66.02 63.89 1itq s SER 120 CO 0.41 -0.06 -0.03 -0.76 0.41 0.00 0.00 173.24 173.21 1itq s LEU 121 N 1.39 2.81 -0.10 2.44 1.02 -0.50 -0.69 118.68 125.06 1itq s LEU 121 Ca 0.04 -1.31 0.02 0.00 0.02 0.00 0.00 54.13 52.90 1itq s LEU 121 Cb -0.15 -0.92 -0.01 0.00 0.02 0.00 0.00 46.19 45.12 1itq s LEU 121 CO -0.05 -0.36 -0.17 -0.63 0.02 0.00 0.00 176.35 175.15 1itq s ILE 122 N -2.69 2.70 -0.13 -0.59 1.01 -1.26 -0.91 121.20 119.34 1itq s ILE 122 Ca 0.34 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1itq s ILE 122 Cb 0.07 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1itq s ILE 122 CO 0.17 0.55 -0.12 -0.83 0.00 0.00 0.00 174.94 174.71 1itq s GLY 123 N 0.06 1.00 -0.26 6.18 0.00 -0.85 -0.38 107.32 113.07 1itq s GLY 123 Ca -0.07 -0.73 -0.19 0.00 0.00 0.00 0.00 44.72 43.73 1itq s GLY 123 CO 0.05 0.54 0.54 0.14 0.00 0.00 0.00 173.10 174.37 1itq s VAL 124 N 1.42 5.04 -0.54 1.40 1.01 -0.24 -1.04 120.40 127.46 1itq s VAL 124 Ca 0.02 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 62.75 1itq s VAL 124 Cb -0.13 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.48 1itq s VAL 124 CO -0.07 0.06 0.58 -0.70 0.00 0.00 0.00 175.10 174.97 1itq s GLU 125 N 2.37 3.04 0.00 2.72 2.12 -0.68 -0.23 118.70 128.04 1itq s GLU 125 Ca 0.22 -1.28 0.00 0.00 0.36 0.00 0.00 54.97 54.27 1itq s GLU 125 Cb -0.16 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.03 1itq s GLU 125 CO 0.09 -1.31 0.00 0.41 -0.54 0.00 0.00 175.26 173.91 1itq n GLY 126 N 5.23 3.21 0.22 -1.50 0.00 -0.09 -4.52 105.19 107.75 1itq n GLY 126 Ca -0.10 -1.14 0.16 0.00 0.00 0.00 0.00 46.02 44.93 1itq n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1itq h GLY 127 N 0.00 0.00 2.00 -0.02 0.00 -0.17 -2.79 103.07 102.09 1itq h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1itq h GLY 127 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.15 1itq n HIS 128 N -2.65 0.56 -0.18 5.60 1.44 -1.26 -2.57 115.22 116.17 1itq n HIS 128 Ca -0.00 0.27 -0.09 0.00 -2.01 0.00 0.00 57.72 55.89 1itq n HIS 128 Cb 0.17 -0.93 0.04 0.00 0.12 0.00 0.00 29.99 29.39 1itq n HIS 128 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 1itq h SER 129 N 0.00 0.99 0.60 4.39 0.02 -1.80 -2.63 113.55 115.13 1itq h SER 129 Ca 0.00 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1itq h SER 129 Cb 0.10 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1itq h SER 129 CO 0.00 1.08 -0.05 2.30 -1.14 0.00 0.00 176.83 179.03 1itq n ILE 130 N -4.16 0.00 -4.07 3.27 -5.35 -1.06 -4.17 119.36 103.83 1itq n ILE 130 Ca 0.02 -0.01 -0.28 0.00 -0.27 0.00 0.00 62.75 62.21 1itq n ILE 130 Cb 0.38 -0.38 -0.04 0.00 -1.74 0.00 0.00 39.64 37.85 1itq n ILE 130 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1itq n ASP 131 N -1.27 -0.12 -3.87 7.28 4.64 -0.99 -1.49 116.55 120.73 1itq n ASP 131 Ca 0.13 -1.10 -0.26 0.00 -1.38 0.00 0.00 54.79 52.17 1itq n ASP 131 Cb 0.27 -2.55 0.01 0.00 -1.04 0.00 0.00 41.12 37.81 1itq n ASP 131 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1itq n SER 132 N -2.93 -2.25 -3.80 1.67 7.64 -1.26 -4.98 113.62 107.72 1itq n SER 132 Ca -0.31 -0.87 -0.22 0.00 1.01 0.00 0.00 58.87 58.48 1itq n SER 132 Cb 0.69 -3.67 -0.17 0.00 -1.01 0.00 0.00 64.21 60.05 1itq n SER 132 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1itq s SER 133 N -3.96 1.48 0.36 6.43 0.15 -0.56 -4.59 113.70 113.02 1itq s SER 133 Ca 0.27 -0.10 0.13 0.00 0.70 0.00 0.00 55.95 56.95 1itq s SER 133 Cb -0.14 -0.45 0.68 0.00 -1.71 0.00 0.00 66.02 64.40 1itq s SER 133 CO 0.84 -0.17 1.79 -0.07 1.20 0.00 0.00 173.24 176.84 1itq h LEU 134 N 8.12 0.00 -0.23 3.45 3.38 -1.91 -1.00 115.31 127.12 1itq h LEU 134 Ca -0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1itq h LEU 134 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1itq h LEU 134 CO 0.30 0.41 -0.10 1.23 0.09 0.00 0.00 178.44 180.37 1itq h GLY 135 N 1.31 0.52 1.66 0.83 0.00 -1.93 -1.66 103.07 103.80 1itq h GLY 135 Ca -0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1itq h GLY 135 CO 0.05 0.42 -0.20 -2.08 0.00 0.00 0.00 176.54 174.73 1itq h VAL 136 N 0.19 1.24 -0.05 4.60 2.07 -1.78 -1.74 116.25 120.78 1itq h VAL 136 Ca 0.05 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.46 1itq h VAL 136 Cb 0.60 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1itq h VAL 136 CO 0.03 0.35 0.01 0.25 0.02 0.00 0.00 177.57 178.23 1itq h LEU 137 N 0.37 0.00 -1.22 2.57 6.46 -0.95 0.15 115.31 122.69 1itq h LEU 137 Ca 0.06 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 1itq h LEU 137 Cb 0.56 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1itq h LEU 137 CO 0.04 0.01 -0.29 0.03 -0.62 0.00 0.00 178.44 177.61 1itq h ARG 138 N 0.03 0.16 0.13 1.25 3.08 -1.09 -1.64 114.38 116.30 1itq h ARG 138 Ca 0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1itq h ARG 138 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1itq h ARG 138 CO -0.03 0.45 -0.06 0.00 -1.07 0.00 0.00 179.97 179.26 1itq h ALA 139 N 1.56 -0.17 -0.52 0.04 0.00 -0.79 -2.30 119.26 117.09 1itq h ALA 139 Ca 0.02 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1itq h ALA 139 Cb 0.60 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1itq h ALA 139 CO 0.04 -0.48 0.34 -0.07 0.00 0.00 0.00 179.25 179.08 1itq h LEU 140 N -0.39 0.48 -0.19 0.00 3.38 -0.81 -1.41 115.31 116.37 1itq h LEU 140 Ca -0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1itq h LEU 140 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1itq h LEU 140 CO 0.03 0.33 0.11 0.22 0.09 0.00 0.00 178.44 179.22 1itq h TYR 141 N 0.56 0.26 0.00 1.13 5.03 -1.06 -1.84 116.97 121.06 1itq h TYR 141 Ca 0.21 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.46 1itq h TYR 141 Cb 0.14 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1itq h TYR 141 CO -0.00 0.24 -0.26 1.96 -1.32 0.00 0.00 178.16 178.79 1itq h GLN 142 N 0.21 0.00 -0.01 1.82 4.20 -0.72 -2.49 115.11 118.11 1itq h GLN 142 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1itq h GLN 142 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1itq h GLN 142 CO -0.01 0.26 0.00 1.28 -0.67 0.00 0.00 178.83 179.68 1itq n LEU 143 N -3.94 0.30 0.00 1.46 4.77 -0.67 -4.91 117.00 114.00 1itq n LEU 143 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1itq n LEU 143 Cb 0.33 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1itq n LEU 143 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1itq n GLY 144 N 0.97 2.06 3.57 -0.72 0.00 -0.94 -5.03 105.19 105.11 1itq n GLY 144 Ca 0.20 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.72 1itq n GLY 144 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1itq n MET 145 N -0.01 1.50 0.00 1.61 0.00 -0.73 -4.03 117.12 115.46 1itq n MET 145 Ca 0.00 0.48 0.07 0.00 0.00 0.00 0.00 57.70 58.25 1itq n MET 145 Cb 0.00 -2.53 0.04 0.00 0.00 0.00 0.00 33.22 30.73 1itq n MET 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1itq n ARG 146 N 7.37 1.14 -3.65 2.12 5.12 0.49 -4.62 116.66 124.63 1itq n ARG 146 Ca 0.32 -1.13 -0.14 0.00 -1.93 0.00 0.00 57.85 54.97 1itq n ARG 146 Cb 0.25 -1.23 -0.08 0.00 -1.16 0.00 0.00 32.46 30.25 1itq n ARG 146 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1itq s TYR 147 N -1.24 -0.65 -0.14 -1.55 -0.85 -1.23 -1.35 117.35 110.34 1itq s TYR 147 Ca 0.14 1.54 0.02 0.00 -0.52 0.00 0.00 57.07 58.25 1itq s TYR 147 Cb 0.11 0.24 0.01 0.00 0.38 0.00 0.00 41.96 42.70 1itq s TYR 147 CO 0.21 -0.36 -0.21 -1.17 -1.52 0.00 0.00 175.55 172.49 1itq s LEU 148 N 0.09 2.14 -0.54 -3.49 2.96 -0.64 -1.08 118.68 118.13 1itq s LEU 148 Ca -0.02 -0.59 -0.25 0.00 -0.22 0.00 0.00 54.13 53.05 1itq s LEU 148 Cb -0.04 -1.45 0.04 0.00 0.50 0.00 0.00 46.19 45.23 1itq s LEU 148 CO 0.02 0.08 1.00 -0.89 -1.32 0.00 0.00 176.35 175.24 1itq s THR 149 N 0.81 4.32 0.27 3.68 2.01 0.68 -0.96 115.64 126.44 1itq s THR 149 Ca -0.07 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1itq s THR 149 Cb -0.16 -4.57 0.38 0.00 0.01 0.00 0.00 72.50 68.17 1itq s THR 149 CO -0.02 -1.12 1.38 0.18 -0.69 0.00 0.00 174.62 174.35 1itq n LEU 150 N 7.64 -0.14 -3.99 4.42 4.77 -0.96 -0.91 117.00 127.83 1itq n LEU 150 Ca 0.04 1.50 -0.09 0.00 -0.03 0.00 0.00 56.01 57.43 1itq n LEU 150 Cb 0.48 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 1itq n LEU 150 CO 0.66 -1.50 -0.15 0.42 -1.33 0.00 0.00 177.39 175.48 1itq s THR 151 N -5.89 0.12 0.00 -5.08 -4.23 -1.26 -0.72 115.64 98.58 1itq s THR 151 Ca -0.12 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1itq s THR 151 Cb 0.25 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.41 1itq s THR 151 CO 0.69 -0.54 0.00 1.57 -0.54 0.00 0.00 174.62 175.79 1itq n HIS 152 N -0.09 0.00 -1.61 3.99 -0.00 -1.26 -4.26 115.22 111.98 1itq n HIS 152 Ca -0.10 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.75 1itq n HIS 152 Cb 0.63 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.50 1itq n HIS 152 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1itq n SER 153 N 0.00 7.08 -3.57 0.26 7.64 -1.26 -4.59 113.62 119.17 1itq n SER 153 Ca 0.00 -3.54 -0.13 0.00 1.01 0.00 0.00 58.87 56.21 1itq n SER 153 Cb 0.00 -1.12 -0.06 0.00 -1.01 0.00 0.00 64.21 62.02 1itq n SER 153 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itq s ASN 155 N -0.74 6.85 0.54 0.00 0.01 -1.26 -4.52 114.94 115.82 1itq s ASN 155 Ca -0.04 1.79 0.08 0.00 -0.71 0.00 0.00 52.86 53.99 1itq s ASN 155 Cb -0.02 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 39.15 1itq s ASN 155 CO 0.03 -0.42 0.65 0.42 -1.51 0.00 0.00 177.10 176.27 1itq s THR 156 N -2.02 2.12 -1.53 1.60 -4.23 -1.04 -4.99 115.64 105.55 1itq s THR 156 Ca 0.61 -1.15 0.20 0.00 -1.18 0.00 0.00 61.69 60.17 1itq s THR 156 Cb -0.13 -2.27 0.38 0.00 1.34 0.00 0.00 72.50 71.82 1itq s THR 156 CO 0.17 0.00 1.60 -2.65 -0.54 0.00 0.00 174.62 173.20 1itq n PRO 157 N -2.05 0.34 0.00 3.99 -0.02 -1.26 -3.60 135.00 132.40 1itq n PRO 157 Ca 0.10 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1itq n PRO 157 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1itq n PRO 157 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1itq n TRP 158 N -1.23 0.00 -3.64 6.00 4.27 -1.26 -4.85 117.44 116.72 1itq n TRP 158 Ca 0.10 -0.13 -0.15 0.00 -3.89 0.00 0.00 57.50 53.43 1itq n TRP 158 Cb 0.14 -0.01 -0.07 0.00 -1.36 0.00 0.00 31.31 30.01 1itq n TRP 158 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1itq s ALA 159 N -0.25 -1.23 -0.08 -1.67 0.00 -1.24 -2.33 121.76 114.96 1itq s ALA 159 Ca 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 1itq s ALA 159 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1itq s ALA 159 CO 0.00 -0.35 0.10 -0.51 0.00 0.00 0.00 175.76 175.00 1itq s ASP 160 N -1.43 5.98 0.29 0.00 -0.00 -1.19 -2.51 116.67 117.81 1itq s ASP 160 Ca -0.11 0.32 0.03 0.00 -0.00 0.00 0.00 52.55 52.79 1itq s ASP 160 Cb -0.02 -1.84 -0.03 0.00 -0.00 0.00 0.00 42.92 41.03 1itq s ASP 160 CO 0.05 0.36 0.45 0.54 -0.00 0.00 0.00 175.17 176.57 1itq s ASN 161 N -1.24 6.31 0.60 0.27 2.20 -1.26 -1.57 114.94 120.24 1itq s ASN 161 Ca 0.18 0.25 0.28 0.00 -0.94 0.00 0.00 52.86 52.63 1itq s ASN 161 Cb -0.12 -1.94 1.39 0.00 -2.00 0.00 0.00 41.25 38.58 1itq s ASN 161 CO 0.07 -0.18 1.80 4.11 -2.94 0.00 0.00 177.10 179.96 1itq h TRP 162 N 0.96 0.00 0.00 1.54 5.08 -0.44 -0.17 115.95 122.93 1itq h TRP 162 Ca -0.51 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.46 1itq h TRP 162 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1itq h TRP 162 CO 0.48 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.92 1itq n LEU 163 N -3.55 0.00 0.06 0.11 4.77 -1.26 -1.51 117.00 115.62 1itq n LEU 163 Ca 0.09 0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 56.40 1itq n LEU 163 Cb 0.77 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1itq n LEU 163 CO 0.25 -0.25 0.37 0.58 -1.33 0.00 0.00 177.39 177.01 1itq h VAL 164 N 0.00 1.39 0.00 4.08 2.07 -1.19 0.10 116.25 122.70 1itq h VAL 164 Ca 0.00 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1itq h VAL 164 Cb 0.17 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1itq h VAL 164 CO 0.00 0.64 0.00 0.47 0.02 0.00 0.00 177.57 178.70 1itq n ASP 165 N -3.83 0.28 -0.13 0.57 10.43 -0.57 -2.82 116.55 120.47 1itq n ASP 165 Ca -0.04 0.54 0.07 0.00 2.57 0.00 0.00 54.79 57.93 1itq n ASP 165 Cb 0.70 -0.61 -0.05 0.00 1.84 0.00 0.00 41.12 43.00 1itq n ASP 165 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1itq n THR 166 N -1.77 0.00 -0.25 -3.53 -2.24 -1.19 -4.98 114.28 100.31 1itq n THR 166 Ca 0.05 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1itq n THR 166 Cb 0.30 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1itq n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1itq n GLY 167 N 1.25 0.70 0.15 3.38 0.00 -1.12 -4.94 105.19 104.61 1itq n GLY 167 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.09 1itq n GLY 167 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1itq h ASP 168 N 0.00 0.00 -3.55 1.61 5.19 -1.44 -3.45 116.42 114.77 1itq h ASP 168 Ca 0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.83 1itq h ASP 168 Cb 0.00 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 39.32 1itq h ASP 168 CO 0.00 0.48 -0.81 -0.44 -3.12 0.00 0.00 179.24 175.35 1itq s SER 169 N -6.45 2.92 -0.10 6.45 0.01 -0.11 -4.96 113.70 111.46 1itq s SER 169 Ca 0.03 -0.83 -0.17 0.00 1.31 0.00 0.00 55.95 56.29 1itq s SER 169 Cb 0.09 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 1itq s SER 169 CO 0.73 0.04 0.44 -1.61 0.41 0.00 0.00 173.24 173.25 1itq s GLU 170 N -2.58 4.27 -0.44 12.44 0.41 -1.26 -4.23 118.70 127.30 1itq s GLU 170 Ca 0.16 0.39 -0.28 0.00 -0.41 0.00 0.00 54.97 54.83 1itq s GLU 170 Cb -0.07 -3.40 -0.02 0.00 -1.78 0.00 0.00 34.13 28.86 1itq s GLU 170 CO 0.07 0.26 1.82 -1.25 -0.49 0.00 0.00 175.26 175.67 1itq s PRO 171 N 0.32 3.05 -0.12 0.39 0.04 -1.26 -4.86 135.00 132.57 1itq s PRO 171 Ca 0.24 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 1itq s PRO 171 Cb -0.15 -4.27 -0.07 0.00 0.04 0.00 0.00 34.50 30.05 1itq s PRO 171 CO 0.10 -2.20 0.15 1.96 0.04 0.00 0.00 177.00 177.05 1itq h GLN 172 N 13.73 0.00 0.00 4.56 4.20 -1.95 -3.39 115.11 132.27 1itq h GLN 172 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1itq h GLN 172 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1itq h GLN 172 CO 1.11 0.27 -0.83 0.43 -0.67 0.00 0.00 178.83 179.13 1itq n SER 173 N -4.70 0.68 -3.83 1.46 7.64 -1.26 -4.96 113.62 108.64 1itq n SER 173 Ca -0.05 0.04 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 1itq n SER 173 Cb 0.18 0.44 0.02 0.00 -1.01 0.00 0.00 64.21 63.83 1itq n SER 173 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itq n GLN 174 N -2.15 -1.91 0.00 1.43 6.02 -1.26 -4.19 117.38 115.32 1itq n GLN 174 Ca 0.02 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1itq n GLN 174 Cb 0.46 -4.10 0.00 0.00 1.02 0.00 0.00 30.24 27.62 1itq n GLN 174 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1itq n GLY 175 N -1.85 0.21 3.38 1.08 0.00 -1.26 -4.84 105.19 101.91 1itq n GLY 175 Ca -0.18 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 1itq n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1itq s LEU 176 N 0.00 2.79 0.90 0.99 1.43 -1.26 -3.18 118.68 120.35 1itq s LEU 176 Ca 0.00 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 1itq s LEU 176 Cb 0.00 -1.64 0.13 0.00 0.03 0.00 0.00 46.19 44.71 1itq s LEU 176 CO 0.00 0.15 1.13 -0.94 0.23 0.00 0.00 176.35 176.93 1itq s SER 177 N 0.43 3.65 0.30 2.29 1.04 -0.99 -4.69 113.70 115.72 1itq s SER 177 Ca -0.09 0.99 0.02 0.00 0.48 0.00 0.00 55.95 57.35 1itq s SER 177 Cb -0.16 -1.58 0.58 0.00 0.10 0.00 0.00 66.02 64.97 1itq s SER 177 CO 0.05 -2.47 1.86 -0.65 0.98 0.00 0.00 173.24 173.01 1itq h PRO 178 N -1.44 0.94 -0.52 4.02 0.11 -1.97 0.23 132.00 133.38 1itq h PRO 178 Ca -0.50 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.49 1itq h PRO 178 Cb 1.33 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1itq h PRO 178 CO 0.62 0.62 0.07 0.35 -0.21 0.00 0.00 178.00 179.46 1itq h PHE 179 N 0.97 0.93 -0.60 0.65 3.04 -1.92 -1.91 116.94 118.10 1itq h PHE 179 Ca 0.46 -0.13 0.07 0.00 3.98 0.00 0.00 57.97 62.34 1itq h PHE 179 Cb 0.43 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 1itq h PHE 179 CO -0.00 0.84 0.40 0.78 -2.02 0.00 0.00 178.31 178.30 1itq h GLY 180 N 0.75 0.70 1.51 2.40 0.00 -1.15 -0.17 103.07 107.11 1itq h GLY 180 Ca 0.16 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 1itq h GLY 180 CO 0.01 0.17 -0.29 1.46 0.00 0.00 0.00 176.54 177.89 1itq h GLN 181 N 0.55 0.57 -0.15 4.80 4.20 0.12 -2.31 115.11 122.89 1itq h GLN 181 Ca 0.26 -0.24 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 1itq h GLN 181 Cb 0.31 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1itq h GLN 181 CO -0.08 0.79 -0.59 0.00 -0.67 0.00 0.00 178.83 178.29 1itq h ARG 182 N 0.49 0.48 -0.25 1.46 3.08 -0.62 -0.16 114.38 118.86 1itq h ARG 182 Ca 0.06 -0.32 0.03 0.00 0.07 0.00 0.00 59.98 59.82 1itq h ARG 182 Cb 0.75 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1itq h ARG 182 CO 0.06 0.93 0.07 0.28 -1.07 0.00 0.00 179.97 180.24 1itq h VAL 183 N 0.36 0.92 -0.57 2.04 2.07 -0.85 0.89 116.25 121.11 1itq h VAL 183 Ca -0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1itq h VAL 183 Cb 1.12 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1itq h VAL 183 CO 0.11 0.03 0.33 0.58 0.02 0.00 0.00 177.57 178.64 1itq h VAL 184 N 0.18 1.18 -0.61 2.57 2.07 -1.27 0.36 116.25 120.73 1itq h VAL 184 Ca 0.11 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1itq h VAL 184 Cb 0.09 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1itq h VAL 184 CO -0.13 0.19 0.35 0.50 0.02 0.00 0.00 177.57 178.50 1itq h LYS 185 N 0.77 0.84 -0.50 1.57 3.64 -0.37 -0.81 116.57 121.71 1itq h LYS 185 Ca 0.20 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1itq h LYS 185 Cb 0.01 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1itq h LYS 185 CO -0.04 0.62 -0.05 1.49 -2.27 0.00 0.00 179.45 179.21 1itq h GLU 186 N 0.83 0.92 -0.50 1.90 4.57 0.15 -2.12 114.58 120.33 1itq h GLU 186 Ca 0.22 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1itq h GLU 186 Cb 0.02 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1itq h GLU 186 CO -0.04 0.97 0.26 -0.07 -1.18 0.00 0.00 179.01 178.95 1itq h LEU 187 N 0.77 0.61 -0.22 1.64 3.38 0.03 -0.97 115.31 120.55 1itq h LEU 187 Ca 0.14 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1itq h LEU 187 Cb 0.59 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1itq h LEU 187 CO 0.04 0.51 -0.11 0.78 0.09 0.00 0.00 178.44 179.74 1itq h ASN 188 N 0.69 0.49 0.05 -0.43 -0.26 -0.83 -1.58 115.58 113.71 1itq h ASN 188 Ca 0.18 -0.41 -0.10 0.00 -0.56 0.00 0.00 56.30 55.40 1itq h ASN 188 Cb 0.04 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1itq h ASN 188 CO -0.03 0.79 -0.32 0.08 -1.06 0.00 0.00 177.43 176.89 1itq h ARG 189 N 0.18 0.39 -0.15 0.81 0.11 -0.98 -3.08 114.38 111.66 1itq h ARG 189 Ca 0.05 -0.16 -0.18 0.00 0.10 0.00 0.00 59.98 59.78 1itq h ARG 189 Cb 0.61 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.68 1itq h ARG 189 CO 0.03 0.68 -0.65 -0.07 0.10 0.00 0.00 179.97 180.06 1itq h LEU 190 N 0.34 0.67 0.00 0.08 3.38 -1.17 0.11 115.31 118.72 1itq h LEU 190 Ca 0.04 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1itq h LEU 190 Cb 0.74 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1itq h LEU 190 CO 0.06 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.34 1itq n GLY 191 N 0.45 1.49 3.61 0.83 0.00 -0.69 -4.88 105.19 106.00 1itq n GLY 191 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1itq n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1itq s VAL 192 N -2.00 4.75 0.18 1.61 1.01 -0.68 -4.71 120.40 120.55 1itq s VAL 192 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 61.98 61.62 1itq s VAL 192 Cb 0.00 -3.16 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 1itq s VAL 192 CO 0.00 0.44 1.63 -0.76 0.00 0.00 0.00 175.10 176.41 1itq s LEU 193 N 0.59 4.37 -0.23 3.92 1.43 -0.46 -4.63 118.68 123.67 1itq s LEU 193 Ca 0.03 2.71 -0.21 0.00 -1.03 0.00 0.00 54.13 55.63 1itq s LEU 193 Cb -0.13 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1itq s LEU 193 CO 0.01 -0.89 0.66 -0.63 0.23 0.00 0.00 176.35 175.74 1itq s ILE 194 N 1.23 4.97 -0.28 -0.59 1.01 -1.26 -1.61 121.20 124.66 1itq s ILE 194 Ca 0.72 1.23 -0.10 0.00 0.00 0.00 0.00 60.65 62.50 1itq s ILE 194 Cb -0.46 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1itq s ILE 194 CO 0.32 0.04 0.16 -0.62 0.00 0.00 0.00 174.94 174.84 1itq s ASP 195 N 1.35 5.75 0.00 3.58 3.68 -0.14 -0.87 116.67 130.03 1itq s ASP 195 Ca 0.29 -0.17 0.17 0.00 2.13 0.00 0.00 52.55 54.97 1itq s ASP 195 Cb -0.16 -2.06 0.50 0.00 -1.45 0.00 0.00 42.92 39.75 1itq s ASP 195 CO 0.09 -0.09 1.40 0.18 0.13 0.00 0.00 175.17 176.89 1itq n LEU 196 N 5.02 2.44 -4.75 -1.34 4.77 0.33 -2.26 117.00 121.21 1itq n LEU 196 Ca -0.14 -1.16 -0.37 0.00 -0.03 0.00 0.00 56.01 54.30 1itq n LEU 196 Cb 0.51 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1itq n LEU 196 CO 0.33 0.58 0.90 0.00 -1.33 0.00 0.00 177.39 177.87 1itq s ALA 197 N -1.48 2.68 0.00 -1.18 0.00 -1.26 -2.76 121.76 117.75 1itq s ALA 197 Ca 0.33 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1itq s ALA 197 Cb 0.17 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1itq s ALA 197 CO 0.24 -1.23 0.00 0.72 0.00 0.00 0.00 175.76 175.49 1itq n HIS 198 N -1.28 0.00 -2.82 0.00 8.25 -1.26 -4.58 115.22 113.53 1itq n HIS 198 Ca 0.12 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.34 1itq n HIS 198 Cb 0.47 -0.58 0.02 0.00 1.12 0.00 0.00 29.99 31.02 1itq n HIS 198 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1itq s VAL 199 N -2.22 3.97 0.67 1.59 -7.23 -1.11 0.04 120.40 116.11 1itq s VAL 199 Ca 0.00 -0.33 -0.11 0.00 -1.81 0.00 0.00 61.98 59.72 1itq s VAL 199 Cb 0.00 -3.50 -0.00 0.00 0.56 0.00 0.00 36.38 33.44 1itq s VAL 199 CO 0.00 -0.40 1.05 -0.94 -0.31 0.00 0.00 175.10 174.51 1itq s SER 200 N -4.23 5.56 0.22 4.85 1.04 -0.61 -3.55 113.70 116.97 1itq s SER 200 Ca 0.50 1.61 -0.08 0.00 0.48 0.00 0.00 55.95 58.46 1itq s SER 200 Cb -0.10 -2.50 0.28 0.00 0.10 0.00 0.00 66.02 63.81 1itq s SER 200 CO 0.40 -1.32 1.79 0.58 0.98 0.00 0.00 173.24 175.67 1itq h VAL 201 N -0.51 0.91 -0.67 5.02 2.07 -1.91 0.18 116.25 121.34 1itq h VAL 201 Ca -0.44 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1itq h VAL 201 Cb 1.21 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1itq h VAL 201 CO 0.58 0.12 0.41 0.00 0.02 0.00 0.00 177.57 178.70 1itq h ALA 202 N 1.38 0.87 -0.36 1.67 0.00 -1.94 -0.23 119.26 120.66 1itq h ALA 202 Ca 0.32 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1itq h ALA 202 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1itq h ALA 202 CO -0.22 0.17 -0.18 1.15 0.00 0.00 0.00 179.25 180.17 1itq h THR 203 N 0.81 1.26 -0.01 0.00 2.02 -1.55 -0.24 112.91 115.21 1itq h THR 203 Ca 0.27 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1itq h THR 203 Cb 0.03 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1itq h THR 203 CO -0.11 0.41 0.00 0.24 0.37 0.00 0.00 175.52 176.44 1itq h MET 204 N 0.61 0.01 -0.33 6.66 0.00 0.44 -1.32 114.93 121.00 1itq h MET 204 Ca 0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 59.70 59.75 1itq h MET 204 Cb 0.65 -0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.24 1itq h MET 204 CO 0.05 0.01 0.02 0.87 0.00 0.00 0.00 176.91 177.85 1itq h LYS 205 N 0.00 0.57 -0.72 1.72 1.57 -0.94 -0.46 116.57 118.32 1itq h LYS 205 Ca 0.00 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1itq h LYS 205 Cb 0.00 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 1itq h LYS 205 CO -0.00 0.69 0.43 0.00 -0.57 0.00 0.00 179.45 180.00 1itq h ALA 206 N 0.86 0.97 -0.14 3.86 0.00 -0.96 0.62 119.26 124.47 1itq h ALA 206 Ca 0.10 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1itq h ALA 206 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1itq h ALA 206 CO 0.01 0.16 -0.47 1.15 0.00 0.00 0.00 179.25 180.11 1itq h THR 207 N 0.82 1.35 -0.29 0.00 2.02 -1.18 0.28 112.91 115.89 1itq h THR 207 Ca 0.31 -1.76 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 1itq h THR 207 Cb 0.12 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1itq h THR 207 CO -0.15 0.53 0.02 -0.07 0.37 0.00 0.00 175.52 176.23 1itq h LEU 208 N 0.19 0.40 -0.03 2.58 3.38 -0.82 0.13 115.31 121.15 1itq h LEU 208 Ca -0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1itq h LEU 208 Cb 1.10 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1itq h LEU 208 CO 0.10 0.45 -0.31 -0.61 0.09 0.00 0.00 178.44 178.16 1itq h GLN 209 N 0.43 0.26 0.02 1.13 5.75 -0.80 -3.39 115.11 118.52 1itq h GLN 209 Ca 0.10 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1itq h GLN 209 Cb 0.24 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1itq h GLN 209 CO 0.00 0.92 -0.01 1.25 -2.65 0.00 0.00 178.83 178.35 1itq h LEU 210 N -0.31 -0.02 -9.40 -2.39 5.85 -0.75 -3.47 115.31 104.82 1itq h LEU 210 Ca -0.03 -0.66 -0.63 0.00 0.84 0.00 0.00 57.88 57.40 1itq h LEU 210 Cb 1.01 0.01 0.07 0.00 0.37 0.00 0.00 40.66 42.11 1itq h LEU 210 CO 0.06 0.67 0.53 -0.24 -0.34 0.00 0.00 178.44 179.12 1itq n SER 211 N -4.77 2.14 -0.22 1.25 2.88 0.45 -4.87 113.62 110.47 1itq n SER 211 Ca -0.09 1.12 0.15 0.00 -1.33 0.00 0.00 58.87 58.72 1itq n SER 211 Cb 0.34 -1.30 0.67 0.00 -0.75 0.00 0.00 64.21 63.16 1itq n SER 211 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1itq n ARG 212 N 2.49 1.15 -4.19 -1.46 1.74 -1.26 -4.84 116.66 110.29 1itq n ARG 212 Ca 0.16 -0.45 -0.13 0.00 -0.77 0.00 0.00 57.85 56.66 1itq n ARG 212 Cb 0.25 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.09 1itq n ARG 212 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1itq s ALA 213 N -2.16 1.13 0.72 7.54 0.00 -1.26 -5.00 121.76 122.72 1itq s ALA 213 Ca 0.38 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 1itq s ALA 213 Cb 0.21 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1itq s ALA 213 CO 0.39 -0.10 1.21 -2.30 0.00 0.00 0.00 175.76 174.96 1itq n PRO 214 N 0.29 0.69 -2.95 0.00 -0.02 -1.26 -5.01 135.00 126.74 1itq n PRO 214 Ca -0.14 0.30 -0.15 0.00 -2.02 0.00 0.00 63.50 61.49 1itq n PRO 214 Cb 0.59 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1itq n PRO 214 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1itq n VAL 215 N -2.49 0.00 -3.88 -1.45 0.24 -1.26 -4.61 118.33 104.88 1itq n VAL 215 Ca 0.15 -1.19 -0.10 0.00 -2.04 0.00 0.00 64.34 61.17 1itq n VAL 215 Cb 0.49 -0.09 -0.08 0.00 -1.47 0.00 0.00 33.84 32.69 1itq n VAL 215 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1itq s ILE 216 N -1.60 0.13 -0.54 1.34 -4.36 -0.05 -2.76 121.20 113.36 1itq s ILE 216 Ca 0.11 -1.05 0.04 0.00 -0.26 0.00 0.00 60.65 59.49 1itq s ILE 216 Cb -0.01 -1.03 0.13 0.00 1.25 0.00 0.00 42.46 42.80 1itq s ILE 216 CO 0.07 -0.58 0.28 -0.36 0.24 0.00 0.00 174.94 174.59 1itq s PHE 217 N -2.93 3.22 0.47 1.37 0.40 -0.21 0.12 117.98 120.42 1itq s PHE 217 Ca -0.02 -3.19 0.23 0.00 -0.60 0.00 0.00 56.93 53.35 1itq s PHE 217 Cb 0.01 -2.81 1.25 0.00 0.51 0.00 0.00 43.02 41.98 1itq s PHE 217 CO -0.06 -0.72 1.90 0.66 0.70 0.00 0.00 175.22 177.70 1itq h SER 218 N 6.39 0.21 -0.98 1.36 4.64 -1.85 0.32 113.55 123.66 1itq h SER 218 Ca -0.06 0.02 -0.31 0.00 -0.47 0.00 0.00 61.79 60.97 1itq h SER 218 Cb 0.88 -0.02 -0.22 0.00 -0.31 0.00 0.00 62.40 62.72 1itq h SER 218 CO 0.69 0.09 -0.67 0.00 -0.87 0.00 0.00 176.83 176.07 1itq n HIS 219 N -4.41 -2.64 -3.98 4.77 1.44 -1.13 -3.87 115.22 105.41 1itq n HIS 219 Ca 0.17 -2.17 -0.11 0.00 -2.01 0.00 0.00 57.72 53.60 1itq n HIS 219 Cb 0.74 1.02 -0.12 0.00 0.12 0.00 0.00 29.99 31.75 1itq n HIS 219 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1itq s SER 220 N -0.61 0.30 0.12 4.39 0.01 -0.23 -4.53 113.70 113.15 1itq s SER 220 Ca 0.32 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.21 1itq s SER 220 Cb 0.13 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.42 1itq s SER 220 CO -0.16 -0.20 0.04 -1.20 0.41 0.00 0.00 173.24 172.13 1itq n SER 221 N 1.97 1.88 -4.68 2.44 7.64 -1.26 -3.55 113.62 118.06 1itq n SER 221 Ca -0.21 -1.47 -0.43 0.00 1.01 0.00 0.00 58.87 57.78 1itq n SER 221 Cb 0.56 0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 1itq n SER 221 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itq s ALA 222 N -2.19 3.49 0.31 -0.43 0.00 -1.26 -0.40 121.76 121.28 1itq s ALA 222 Ca 0.03 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1itq s ALA 222 Cb -0.00 -3.48 0.50 0.00 0.00 0.00 0.00 23.12 20.14 1itq s ALA 222 CO 0.02 -0.75 1.79 -0.92 0.00 0.00 0.00 175.76 175.90 1itq h TYR 223 N 7.27 0.54 -0.60 0.00 5.03 -1.59 -2.67 116.97 124.95 1itq h TYR 223 Ca -0.28 -0.08 -0.02 0.00 2.58 0.00 0.00 58.73 60.92 1itq h TYR 223 Cb 1.13 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 39.23 1itq h TYR 223 CO 0.73 0.62 0.29 0.77 -1.32 0.00 0.00 178.16 179.24 1itq h SER 224 N 0.46 0.76 0.96 -2.11 0.02 -1.93 -2.50 113.55 109.22 1itq h SER 224 Ca 0.08 -0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 60.77 1itq h SER 224 Cb 0.51 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1itq h SER 224 CO 0.03 0.65 -1.10 0.58 -1.14 0.00 0.00 176.83 175.85 1itq h VAL 225 N 0.84 1.13 -1.90 2.27 2.07 -1.91 -3.43 116.25 115.33 1itq h VAL 225 Ca 0.21 -2.76 -0.16 0.00 0.82 0.00 0.00 66.70 64.81 1itq h VAL 225 Cb 0.09 2.53 -0.30 0.00 -1.52 0.00 0.00 31.29 32.08 1itq h VAL 225 CO -0.03 0.65 -0.49 0.00 0.02 0.00 0.00 177.57 177.71 1itq n ALA 227 N 5.36 4.24 -2.82 0.00 0.00 -0.96 -4.13 120.51 122.20 1itq n ALA 227 Ca -0.03 -1.65 -0.36 0.00 0.00 0.00 0.00 53.44 51.40 1itq n ALA 227 Cb 0.50 -2.84 -0.07 0.00 0.00 0.00 0.00 19.45 17.04 1itq n ALA 227 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1itq s SER 228 N 3.39 6.03 0.00 0.00 0.15 -1.26 -4.98 113.70 117.03 1itq s SER 228 Ca 0.35 0.36 0.06 0.00 0.70 0.00 0.00 55.95 57.42 1itq s SER 228 Cb 0.10 -1.88 0.33 0.00 -1.71 0.00 0.00 66.02 62.87 1itq s SER 228 CO -0.03 0.39 1.02 0.54 1.20 0.00 0.00 173.24 176.37 1itq n ARG 229 N 1.96 0.78 0.00 5.44 5.12 -1.26 -1.11 116.66 127.59 1itq n ARG 229 Ca -0.19 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 55.85 1itq n ARG 229 Cb 0.54 -1.11 0.15 0.00 -1.16 0.00 0.00 32.46 30.88 1itq n ARG 229 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1itq n ARG 230 N -0.61 1.85 -4.10 5.56 5.12 -1.26 -4.80 116.66 118.41 1itq n ARG 230 Ca 0.04 -1.46 -0.25 0.00 -1.93 0.00 0.00 57.85 54.25 1itq n ARG 230 Cb 0.02 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 29.80 1itq n ARG 230 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1itq s ASN 231 N -2.16 5.45 -0.26 0.55 0.01 -0.27 -4.14 114.94 114.13 1itq s ASN 231 Ca 0.27 -0.19 -0.16 0.00 -0.71 0.00 0.00 52.86 52.06 1itq s ASN 231 Cb 0.20 -1.39 -0.03 0.00 0.41 0.00 0.00 41.25 40.43 1itq s ASN 231 CO 0.39 0.04 0.45 -0.69 -1.51 0.00 0.00 177.10 175.78 1itq s VAL 232 N -1.87 5.13 0.96 1.60 1.01 0.47 -4.61 120.40 123.08 1itq s VAL 232 Ca 0.31 0.74 -0.12 0.00 0.00 0.00 0.00 61.98 62.92 1itq s VAL 232 Cb -0.09 -3.77 0.16 0.00 0.00 0.00 0.00 36.38 32.68 1itq s VAL 232 CO 0.23 0.13 1.09 -2.16 0.00 0.00 0.00 175.10 174.40 1itq s PRO 233 N 2.09 0.76 0.38 2.72 0.04 -1.26 -2.18 135.00 137.54 1itq s PRO 233 Ca 0.19 0.77 0.13 0.00 0.04 0.00 0.00 61.00 62.13 1itq s PRO 233 Cb -0.16 -1.76 0.74 0.00 0.04 0.00 0.00 34.50 33.37 1itq s PRO 233 CO 0.09 -2.57 1.83 -0.44 0.04 0.00 0.00 177.00 175.96 1itq h ASP 234 N -1.78 0.00 -0.41 6.66 3.45 -1.98 -1.87 116.42 120.48 1itq h ASP 234 Ca -0.52 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 56.90 1itq h ASP 234 Cb 1.30 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.05 1itq h ASP 234 CO 0.54 0.36 0.11 -2.24 -1.57 0.00 0.00 179.24 176.45 1itq h ASP 235 N 0.00 0.62 0.14 6.45 2.03 -2.00 -0.68 116.42 122.99 1itq h ASP 235 Ca -0.00 -0.22 -0.09 0.00 -0.73 0.00 0.00 57.03 55.98 1itq h ASP 235 Cb 0.65 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 1itq h ASP 235 CO 0.05 0.68 -0.32 0.58 -1.03 0.00 0.00 179.24 179.19 1itq h VAL 236 N 0.53 1.27 0.00 4.15 2.07 -1.91 -1.31 116.25 121.04 1itq h VAL 236 Ca 0.13 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1itq h VAL 236 Cb 0.29 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1itq h VAL 236 CO -0.00 0.40 -0.21 -0.07 0.02 0.00 0.00 177.57 177.70 1itq h LEU 237 N 0.24 0.00 -0.32 2.57 3.38 -0.72 0.31 115.31 120.76 1itq h LEU 237 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1itq h LEU 237 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1itq h LEU 237 CO 0.05 0.21 -0.83 0.03 0.09 0.00 0.00 178.44 177.99 1itq h ARG 238 N 0.00 0.28 -0.33 1.13 3.08 0.00 -2.06 114.38 116.47 1itq h ARG 238 Ca -0.00 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.65 1itq h ARG 238 Cb 0.43 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1itq h ARG 238 CO 0.03 0.96 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.54 1itq h LEU 239 N 0.17 0.72 -1.53 3.04 3.38 -0.54 -1.48 115.31 119.06 1itq h LEU 239 Ca -0.04 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1itq h LEU 239 Cb 1.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1itq h LEU 239 CO 0.13 0.97 -0.22 0.58 0.09 0.00 0.00 178.44 179.99 1itq h VAL 240 N 0.60 1.16 -0.04 1.22 2.07 -0.29 -1.86 116.25 119.11 1itq h VAL 240 Ca 0.07 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1itq h VAL 240 Cb 0.79 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1itq h VAL 240 CO 0.07 0.22 -0.11 0.50 0.02 0.00 0.00 177.57 178.27 1itq h LYS 241 N 0.03 0.14 -0.70 1.57 3.64 -0.60 0.61 116.57 121.25 1itq h LYS 241 Ca 0.00 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1itq h LYS 241 Cb 0.40 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1itq h LYS 241 CO 0.03 0.72 0.31 1.96 -2.27 0.00 0.00 179.45 180.20 1itq h GLN 242 N -0.41 1.02 -0.00 1.90 4.20 -1.09 -2.76 115.11 117.96 1itq h GLN 242 Ca -0.00 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1itq h GLN 242 Cb 0.73 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1itq h GLN 242 CO 0.02 0.82 -0.21 0.25 -0.67 0.00 0.00 178.83 179.05 1itq n THR 243 N -4.41 0.00 -2.84 -0.54 -2.24 -0.72 -4.94 114.28 98.59 1itq n THR 243 Ca 0.05 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.68 1itq n THR 243 Cb 0.15 -0.16 0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1itq n THR 243 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1itq n ASP 244 N -1.43 -4.50 -2.59 3.42 -0.08 -0.86 -4.50 116.55 106.01 1itq n ASP 244 Ca 0.07 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 1itq n ASP 244 Cb 0.33 -3.31 0.00 0.00 2.34 0.00 0.00 41.12 40.48 1itq n ASP 244 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1itq n SER 245 N -1.01 -0.20 -3.74 1.67 7.64 0.15 -4.86 113.62 113.26 1itq n SER 245 Ca -0.05 -0.49 -0.13 0.00 1.01 0.00 0.00 58.87 59.22 1itq n SER 245 Cb 0.57 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.66 1itq n SER 245 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1itq s LEU 246 N 0.00 0.49 -0.23 -3.43 2.96 -1.11 -4.23 118.68 113.13 1itq s LEU 246 Ca 0.00 0.74 -0.01 0.00 -0.22 0.00 0.00 54.13 54.64 1itq s LEU 246 Cb 0.00 1.21 0.02 0.00 0.50 0.00 0.00 46.19 47.93 1itq s LEU 246 CO 0.00 -0.14 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.10 1itq s VAL 247 N 0.48 2.69 -0.36 1.68 1.01 0.23 -1.05 120.40 125.08 1itq s VAL 247 Ca -0.02 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 1itq s VAL 247 Cb -0.04 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1itq s VAL 247 CO -0.02 0.29 0.24 -0.04 0.00 0.00 0.00 175.10 175.57 1itq s MET 248 N 1.32 3.21 0.23 2.72 1.00 0.11 -0.78 119.30 127.12 1itq s MET 248 Ca 0.01 -0.84 -0.31 0.00 0.00 0.00 0.00 55.69 54.55 1itq s MET 248 Cb -0.16 -3.82 -0.11 0.00 0.00 0.00 0.00 34.83 30.74 1itq s MET 248 CO -0.06 -0.58 1.65 0.08 0.00 0.00 0.00 175.02 176.12 1itq s VAL 249 N 1.67 2.12 0.02 -6.03 1.01 -0.16 -1.07 120.40 117.97 1itq s VAL 249 Ca 0.05 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 1itq s VAL 249 Cb -0.18 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 1itq s VAL 249 CO 0.09 0.01 0.67 0.21 0.00 0.00 0.00 175.10 176.08 1itq s ASN 250 N 0.92 7.08 0.01 3.32 3.84 -1.23 -1.36 114.94 127.52 1itq s ASN 250 Ca 0.70 1.29 0.25 0.00 0.21 0.00 0.00 52.86 55.31 1itq s ASN 250 Cb -0.48 -2.41 0.48 0.00 -0.55 0.00 0.00 41.25 38.29 1itq s ASN 250 CO 0.38 0.08 1.40 0.49 -2.79 0.00 0.00 177.10 176.65 1itq n PHE 251 N 2.68 0.05 -1.55 0.43 3.72 -0.45 -4.75 117.46 117.59 1itq n PHE 251 Ca -0.05 0.02 -0.49 0.00 -0.05 0.00 0.00 57.45 56.87 1itq n PHE 251 Cb 0.51 -0.29 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 1itq n PHE 251 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1itq n TYR 252 N -1.56 0.99 0.20 1.38 -0.00 -1.26 -4.06 117.16 112.85 1itq n TYR 252 Ca 0.05 0.76 -0.15 0.00 -0.00 0.00 0.00 57.90 58.56 1itq n TYR 252 Cb 0.35 -2.21 -0.07 0.00 -0.00 0.00 0.00 39.34 37.40 1itq n TYR 252 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.86 175.95 1itq h ASN 253 N 2.83 -0.56 0.02 2.98 2.35 -1.78 -1.56 115.58 119.87 1itq h ASN 253 Ca -0.41 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1itq h ASN 253 Cb 1.36 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.91 1itq h ASN 253 CO 0.67 -0.34 0.00 0.59 -1.65 0.00 0.00 177.43 176.69 1itq n ASN 254 N -5.35 0.00 -0.01 5.81 4.13 -0.85 -0.35 115.26 118.65 1itq n ASN 254 Ca -0.09 -0.09 0.03 0.00 1.68 0.00 0.00 54.58 56.11 1itq n ASN 254 Cb 0.25 -0.06 -0.06 0.00 -1.54 0.00 0.00 39.78 38.37 1itq n ASN 254 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1itq n TYR 255 N -1.06 0.00 -0.10 3.10 4.01 -0.98 -3.86 117.16 118.27 1itq n TYR 255 Ca 0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.58 1itq n TYR 255 Cb 0.02 -0.20 -0.09 0.00 -0.31 0.00 0.00 39.34 38.76 1itq n TYR 255 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1itq n ILE 256 N -1.84 1.51 0.72 -0.72 2.08 0.03 -4.59 119.36 116.55 1itq n ILE 256 Ca -0.03 -0.03 0.08 0.00 0.56 0.00 0.00 62.75 63.33 1itq n ILE 256 Cb 0.28 -2.09 -0.10 0.00 -0.75 0.00 0.00 39.64 36.98 1itq n ILE 256 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1itq n SER 257 N -4.44 0.81 -1.58 4.38 3.41 0.53 -4.61 113.62 112.11 1itq n SER 257 Ca -0.31 -0.82 -0.12 0.00 -0.26 0.00 0.00 58.87 57.36 1itq n SER 257 Cb 0.64 1.06 0.01 0.00 -0.26 0.00 0.00 64.21 65.66 1itq n SER 257 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itq s THR 259 N -2.75 0.00 0.35 0.00 -1.32 -1.26 -4.93 115.64 105.72 1itq s THR 259 Ca 0.10 -0.92 0.28 0.00 -1.21 0.00 0.00 61.69 59.93 1itq s THR 259 Cb -0.04 -2.42 0.30 0.00 -1.51 0.00 0.00 72.50 68.82 1itq s THR 259 CO 0.12 0.00 2.03 0.78 -2.21 0.00 0.00 174.62 175.34 1itq h ASN 260 N 2.00 0.00 -3.25 8.08 4.21 -1.94 -2.25 115.58 122.43 1itq h ASN 260 Ca -0.25 0.00 -0.65 0.00 1.21 0.00 0.00 56.30 56.61 1itq h ASN 260 Cb 1.24 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 38.29 1itq h ASN 260 CO 0.31 0.13 -0.60 -0.75 -1.29 0.00 0.00 177.43 175.23 1itq s LYS 261 N -4.04 3.47 0.14 0.81 2.36 -1.26 -4.79 119.74 116.43 1itq s LYS 261 Ca -0.02 -0.38 -0.19 0.00 -2.55 0.00 0.00 55.97 52.83 1itq s LYS 261 Cb 0.12 -2.98 0.05 0.00 -1.05 0.00 0.00 37.83 33.97 1itq s LYS 261 CO 0.58 0.49 0.49 0.00 1.55 0.00 0.00 175.35 178.45 1itq s ALA 262 N -0.26 -1.19 0.23 3.13 0.00 -1.26 -4.69 121.76 117.71 1itq s ALA 262 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1itq s ALA 262 Cb -0.12 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 1itq s ALA 262 CO 0.02 -0.70 0.10 0.54 0.00 0.00 0.00 175.76 175.72 1itq s ASN 263 N -2.79 0.75 0.41 0.00 2.20 -1.26 -0.88 114.94 113.38 1itq s ASN 263 Ca 0.03 -1.37 0.16 0.00 -0.94 0.00 0.00 52.86 50.74 1itq s ASN 263 Cb 0.01 0.25 1.06 0.00 -2.00 0.00 0.00 41.25 40.56 1itq s ASN 263 CO -0.12 -0.77 1.87 0.25 -2.94 0.00 0.00 177.10 175.39 1itq h LEU 264 N 2.51 0.42 -1.18 3.54 6.46 -1.27 -2.41 115.31 123.38 1itq h LEU 264 Ca -0.37 0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.35 1itq h LEU 264 Cb 1.24 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 1itq h LEU 264 CO 0.58 0.18 -0.38 -1.28 -0.62 0.00 0.00 178.44 176.93 1itq h SER 265 N 0.43 0.00 1.38 1.25 0.87 -1.97 -2.68 113.55 112.83 1itq h SER 265 Ca 0.45 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.96 1itq h SER 265 Cb 1.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1itq h SER 265 CO -0.17 0.38 -0.24 1.56 -0.53 0.00 0.00 176.83 177.83 1itq h GLN 266 N 0.00 0.00 -0.02 2.24 4.20 -1.83 -2.33 115.11 117.37 1itq h GLN 266 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1itq h GLN 266 Cb 0.75 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.54 1itq h GLN 266 CO 0.05 0.24 -0.70 0.28 -0.67 0.00 0.00 178.83 178.03 1itq h VAL 267 N 0.00 1.38 0.00 -0.54 2.07 -1.52 -2.97 116.25 114.66 1itq h VAL 267 Ca -0.00 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 1itq h VAL 267 Cb 0.99 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1itq h VAL 267 CO 0.03 0.62 -0.06 0.00 0.02 0.00 0.00 177.57 178.18 1itq h ALA 268 N 0.37 1.70 -0.17 1.67 0.00 -1.36 -1.93 119.26 119.53 1itq h ALA 268 Ca -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1itq h ALA 268 Cb 1.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1itq h ALA 268 CO 0.14 0.07 0.04 -0.44 0.00 0.00 0.00 179.25 179.06 1itq h ASP 269 N 0.00 0.27 -0.59 0.00 3.45 -1.27 -1.34 116.42 116.94 1itq h ASP 269 Ca -0.00 -0.24 -0.02 0.00 0.43 0.00 0.00 57.03 57.20 1itq h ASP 269 Cb 0.12 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 1itq h ASP 269 CO 0.01 0.43 0.30 0.45 -1.57 0.00 0.00 179.24 178.87 1itq h HIS 270 N 0.09 0.86 -0.30 4.55 3.86 -1.27 -1.62 115.15 121.31 1itq h HIS 270 Ca 0.05 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.12 1itq h HIS 270 Cb 0.27 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1itq h HIS 270 CO 0.01 0.62 -0.30 -0.07 0.86 0.00 0.00 177.93 179.06 1itq h LEU 271 N 0.87 0.65 -0.38 2.43 3.38 -1.25 -1.71 115.31 119.29 1itq h LEU 271 Ca 0.22 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1itq h LEU 271 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1itq h LEU 271 CO -0.03 0.91 -0.09 0.44 0.09 0.00 0.00 178.44 179.76 1itq h ASP 272 N 0.54 0.74 0.29 -0.43 3.45 -0.73 -1.32 116.42 118.96 1itq h ASP 272 Ca 0.07 -0.36 -0.01 0.00 0.43 0.00 0.00 57.03 57.15 1itq h ASP 272 Cb 0.78 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1itq h ASP 272 CO 0.06 0.93 -0.14 -0.74 -1.57 0.00 0.00 179.24 177.78 1itq h HIS 273 N 0.54 -0.36 -0.61 4.55 2.76 -1.19 -1.81 115.15 119.03 1itq h HIS 273 Ca 0.10 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1itq h HIS 273 Cb 0.60 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.65 1itq h HIS 273 CO 0.05 -0.13 0.40 0.82 -1.30 0.00 0.00 177.93 177.77 1itq h ILE 274 N -0.55 1.08 0.00 6.26 2.04 -1.34 0.15 117.51 125.15 1itq h ILE 274 Ca -0.04 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 1itq h ILE 274 Cb 0.40 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1itq h ILE 274 CO 0.07 0.13 -0.34 0.50 0.00 0.00 0.00 178.15 178.51 1itq h LYS 275 N 0.71 0.00 0.07 2.37 3.64 -1.06 -0.95 116.57 121.34 1itq h LYS 275 Ca 0.24 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1itq h LYS 275 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1itq h LYS 275 CO -0.07 0.34 -0.03 0.93 -2.27 0.00 0.00 179.45 178.35 1itq h GLU 276 N 0.00 -0.08 0.26 1.90 4.39 0.08 -3.09 114.58 118.04 1itq h GLU 276 Ca -0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1itq h GLU 276 Cb 0.74 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1itq h GLU 276 CO 0.04 0.40 -0.12 0.28 -1.16 0.00 0.00 179.01 178.45 1itq h VAL 277 N -0.95 0.00 0.00 3.13 2.07 -0.99 -3.37 116.25 116.13 1itq h VAL 277 Ca -0.01 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 1itq h VAL 277 Cb 0.52 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1itq h VAL 277 CO 0.01 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.25 1itq h ALA 278 N -1.19 0.83 0.00 1.67 0.00 -1.36 -3.45 119.26 115.76 1itq h ALA 278 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1itq h ALA 278 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1itq h ALA 278 CO 0.06 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1itq n GLY 279 N 0.85 2.68 0.10 0.00 0.00 -0.96 -4.29 105.19 103.56 1itq n GLY 279 Ca 0.02 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.23 1itq n GLY 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itq n ALA 280 N 0.72 1.45 0.47 4.61 0.00 -1.23 -2.12 120.51 124.41 1itq n ALA 280 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1itq n ALA 280 Cb 0.00 -1.30 0.17 0.00 0.00 0.00 0.00 19.45 18.32 1itq n ALA 280 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1itq n ARG 281 N -2.01 2.30 -0.47 0.00 1.85 -1.26 -4.13 116.66 112.94 1itq n ARG 281 Ca 0.01 -2.09 0.08 0.00 -1.00 0.00 0.00 57.85 54.86 1itq n ARG 281 Cb 0.15 -1.46 0.28 0.00 -1.05 0.00 0.00 32.46 30.38 1itq n ARG 281 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1itq n ALA 282 N 1.33 2.88 -2.51 2.89 0.00 -0.90 -4.75 120.51 119.45 1itq n ALA 282 Ca 0.16 -1.73 -0.27 0.00 0.00 0.00 0.00 53.44 51.60 1itq n ALA 282 Cb 0.57 -0.78 -0.16 0.00 0.00 0.00 0.00 19.45 19.08 1itq n ALA 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1itq s VAL 283 N -2.00 1.64 0.00 0.00 0.11 -1.26 -0.60 120.40 118.30 1itq s VAL 283 Ca 0.41 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 1itq s VAL 283 Cb 0.29 -1.37 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1itq s VAL 283 CO 0.17 0.46 0.00 0.61 -3.33 0.00 0.00 175.10 173.01 1itq n GLY 284 N 2.68 2.55 3.36 6.54 0.00 0.04 -4.07 105.19 116.29 1itq n GLY 284 Ca -0.16 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 1itq n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1itq s PHE 285 N -6.36 2.46 -0.45 1.61 0.40 -1.25 -0.98 117.98 113.40 1itq s PHE 285 Ca 0.00 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.04 1itq s PHE 285 Cb 0.00 -1.55 0.29 0.00 0.51 0.00 0.00 43.02 42.27 1itq s PHE 285 CO 0.00 0.03 0.94 0.41 0.70 0.00 0.00 175.22 177.30 1itq n GLY 286 N 2.43 0.92 0.48 4.36 0.00 -0.46 -0.24 105.19 112.68 1itq n GLY 286 Ca -0.16 -0.26 0.33 0.00 0.00 0.00 0.00 46.02 45.93 1itq n GLY 286 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1itq h GLY 287 N 3.45 0.86 -1.26 -0.02 0.00 -1.71 -3.28 103.07 101.12 1itq h GLY 287 Ca -0.08 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 1itq h GLY 287 CO 0.27 -0.18 -0.20 1.34 0.00 0.00 0.00 176.54 177.77 1itq n ASP 288 N -4.48 -2.88 -4.77 0.19 2.03 -0.77 -1.35 116.55 104.53 1itq n ASP 288 Ca 0.31 -0.03 -0.40 0.00 0.52 0.00 0.00 54.79 55.20 1itq n ASP 288 Cb 1.26 -2.12 -0.01 0.00 -0.72 0.00 0.00 41.12 39.53 1itq n ASP 288 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1itq s PHE 289 N -2.46 2.81 0.00 -0.67 0.08 -1.25 -2.29 117.98 114.20 1itq s PHE 289 Ca 0.02 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.45 1itq s PHE 289 Cb -0.01 -3.72 0.00 0.00 -0.57 0.00 0.00 43.02 38.72 1itq s PHE 289 CO 0.03 -2.18 0.00 -0.25 -0.10 0.00 0.00 175.22 172.71 1itq n ASP 290 N 0.24 -1.49 -0.08 1.36 8.00 -1.26 -1.67 116.55 121.66 1itq n ASP 290 Ca 0.03 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.44 1itq n ASP 290 Cb 0.43 -1.85 -0.11 0.00 -0.02 0.00 0.00 41.12 39.57 1itq n ASP 290 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1itq n GLY 291 N -1.53 -0.57 3.62 0.44 0.00 -0.97 -4.57 105.19 101.61 1itq n GLY 291 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1itq n GLY 291 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1itq s VAL 292 N -2.36 3.51 -0.49 1.61 -7.23 -1.12 -5.05 120.40 109.28 1itq s VAL 292 Ca -0.13 -1.48 0.25 0.00 -1.81 0.00 0.00 61.98 58.81 1itq s VAL 292 Cb 0.05 -2.75 0.32 0.00 0.56 0.00 0.00 36.38 34.56 1itq s VAL 292 CO 0.54 -0.09 1.73 1.55 -0.31 0.00 0.00 175.10 178.52 1itq h PRO 293 N 2.86 0.00 -4.35 4.82 0.13 -1.95 -3.45 132.00 130.06 1itq h PRO 293 Ca -0.47 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.17 1itq h PRO 293 Cb 1.20 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.99 1itq h PRO 293 CO 0.56 0.00 -0.80 1.03 -0.23 0.00 0.00 178.00 178.56 1itq s ARG 294 N -3.23 1.44 0.08 0.86 0.52 -1.26 -5.11 118.95 112.25 1itq s ARG 294 Ca 0.07 -0.30 0.07 0.00 -0.52 0.00 0.00 55.73 55.05 1itq s ARG 294 Cb 0.09 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 1itq s ARG 294 CO 0.60 -0.05 -0.19 0.14 0.02 0.00 0.00 175.30 175.82 1itq s VAL 295 N 0.91 1.54 0.59 3.52 -7.23 -1.26 -2.66 120.40 115.81 1itq s VAL 295 Ca -0.10 -1.40 -0.19 0.00 -1.81 0.00 0.00 61.98 58.47 1itq s VAL 295 Cb -0.15 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1itq s VAL 295 CO 0.01 -0.05 1.10 -2.65 -0.31 0.00 0.00 175.10 173.20 1itq n PRO 296 N 1.30 1.08 -2.05 4.82 -0.02 -1.26 -4.83 135.00 134.05 1itq n PRO 296 Ca -0.19 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1itq n PRO 296 Cb 0.54 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1itq n PRO 296 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1itq s GLU 297 N -2.87 4.24 0.00 -0.52 2.02 -0.06 -0.62 118.70 120.89 1itq s GLU 297 Ca 0.76 2.19 0.00 0.00 0.02 0.00 0.00 54.97 57.94 1itq s GLU 297 Cb -0.42 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.29 1itq s GLU 297 CO 0.46 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1itq n GLY 298 N 3.82 0.56 2.22 -1.39 0.00 -1.26 -0.83 105.19 108.31 1itq n GLY 298 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 1itq n GLY 298 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1itq n LEU 299 N 0.00 0.95 0.16 0.99 4.77 0.21 -4.82 117.00 119.26 1itq n LEU 299 Ca 0.00 -5.00 0.03 0.00 -0.03 0.00 0.00 56.01 51.01 1itq n LEU 299 Cb 0.00 0.68 0.19 0.00 -2.33 0.00 0.00 43.42 41.95 1itq n LEU 299 CO 0.00 2.28 0.55 -0.33 -1.33 0.00 0.00 177.39 178.55 1itq h GLU 300 N 3.00 0.00 0.00 3.23 3.07 -1.88 -3.34 114.58 118.66 1itq h GLU 300 Ca 0.10 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.85 1itq h GLU 300 Cb 0.96 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 1itq h GLU 300 CO 0.51 0.50 0.11 -0.40 -1.40 0.00 0.00 179.01 178.34 1itq n ASP 301 N -3.45 -1.81 0.00 1.42 5.68 -1.26 -4.85 116.55 112.27 1itq n ASP 301 Ca 0.00 -2.56 0.03 0.00 -0.50 0.00 0.00 54.79 51.76 1itq n ASP 301 Cb 0.63 3.10 0.18 0.00 -1.14 0.00 0.00 41.12 43.89 1itq n ASP 301 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1itq n VAL 302 N -0.51 0.56 0.66 2.12 0.24 -0.95 -2.04 118.33 118.41 1itq n VAL 302 Ca -0.05 0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.51 1itq n VAL 302 Cb 0.54 -1.03 0.20 0.00 -1.47 0.00 0.00 33.84 32.08 1itq n VAL 302 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1itq n SER 303 N -1.18 0.64 0.00 -1.34 3.41 -1.22 -3.87 113.62 110.06 1itq n SER 303 Ca 0.04 0.07 0.14 0.00 -0.26 0.00 0.00 58.87 58.86 1itq n SER 303 Cb 0.04 0.15 0.77 0.00 -0.26 0.00 0.00 64.21 64.92 1itq n SER 303 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1itq n LYS 304 N -1.99 0.59 -0.28 4.33 4.76 -0.86 -3.73 118.16 120.98 1itq n LYS 304 Ca 0.04 0.01 0.16 0.00 -2.87 0.00 0.00 58.31 55.65 1itq n LYS 304 Cb 0.42 -1.50 0.44 0.00 -1.84 0.00 0.00 35.03 32.55 1itq n LYS 304 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1itq h TYR 305 N 0.00 0.73 0.00 2.13 0.05 -1.77 -0.33 116.97 117.78 1itq h TYR 305 Ca 0.00 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1itq h TYR 305 Cb 0.17 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 1itq h TYR 305 CO 0.00 0.20 -0.09 -1.35 -1.05 0.00 0.00 178.16 175.87 1itq h PRO 306 N 0.55 0.00 -0.20 4.88 0.11 -1.74 -2.56 132.00 133.04 1itq h PRO 306 Ca 0.50 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.45 1itq h PRO 306 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1itq h PRO 306 CO -0.23 0.09 -0.51 -0.44 -0.21 0.00 0.00 178.00 176.69 1itq h ASP 307 N 0.00 0.61 0.01 -2.05 3.45 -1.37 -1.74 116.42 115.34 1itq h ASP 307 Ca -0.00 -0.31 -0.20 0.00 0.43 0.00 0.00 57.03 56.94 1itq h ASP 307 Cb 0.24 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1itq h ASP 307 CO 0.01 1.01 -0.74 0.25 -1.57 0.00 0.00 179.24 178.21 1itq h LEU 308 N 0.44 0.75 -0.81 1.55 5.85 -1.50 -2.55 115.31 119.04 1itq h LEU 308 Ca 0.02 -0.48 -0.08 0.00 0.84 0.00 0.00 57.88 58.17 1itq h LEU 308 Cb 1.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1itq h LEU 308 CO 0.10 1.25 -0.01 0.40 -0.34 0.00 0.00 178.44 179.84 1itq h ILE 309 N 0.44 1.25 -0.75 4.05 1.08 -1.42 -2.03 117.51 120.13 1itq h ILE 309 Ca -0.04 -1.08 -0.04 0.00 -0.39 0.00 0.00 64.86 63.31 1itq h ILE 309 Cb 1.34 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.93 1itq h ILE 309 CO 0.14 0.38 0.30 0.00 -0.69 0.00 0.00 178.15 178.29 1itq h ALA 310 N 1.17 0.97 -0.34 1.87 0.00 -1.25 -1.51 119.26 120.16 1itq h ALA 310 Ca 0.15 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1itq h ALA 310 Cb 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1itq h ALA 310 CO 0.03 0.59 -0.08 1.49 0.00 0.00 0.00 179.25 181.28 1itq h GLU 311 N 1.07 0.57 -0.25 0.00 4.57 -1.11 -0.55 114.58 118.88 1itq h GLU 311 Ca 0.25 -0.15 -0.15 0.00 -1.18 0.00 0.00 59.36 58.12 1itq h GLU 311 Cb 0.21 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1itq h GLU 311 CO -0.02 0.65 -0.47 -0.07 -1.18 0.00 0.00 179.01 177.92 1itq h LEU 312 N 0.53 0.73 -0.90 1.64 3.38 -0.86 -0.23 115.31 119.60 1itq h LEU 312 Ca 0.10 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 1itq h LEU 312 Cb 0.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1itq h LEU 312 CO 0.02 1.08 -0.47 -0.07 0.09 0.00 0.00 178.44 179.10 1itq h LEU 313 N 0.53 0.19 -0.36 1.67 3.38 -0.97 -0.76 115.31 119.00 1itq h LEU 313 Ca 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1itq h LEU 313 Cb 1.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1itq h LEU 313 CO 0.10 0.64 0.14 -0.09 0.09 0.00 0.00 178.44 179.31 1itq h ARG 314 N 0.15 0.54 -0.62 1.13 1.12 -0.62 -2.20 114.38 113.87 1itq h ARG 314 Ca 0.01 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.77 1itq h ARG 314 Cb 0.89 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.76 1itq h ARG 314 CO 0.07 0.54 0.00 0.54 -3.11 0.00 0.00 179.97 178.01 1itq n ARG 315 N -4.67 0.89 -1.87 0.20 1.74 -0.14 -4.85 116.66 107.95 1itq n ARG 315 Ca -0.01 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.96 1itq n ARG 315 Cb 0.15 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 1itq n ARG 315 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1itq n ASN 316 N -0.11 -3.84 -4.77 0.55 5.15 -0.83 -5.01 115.26 106.39 1itq n ASN 316 Ca 0.00 0.09 -0.37 0.00 -0.60 0.00 0.00 54.58 53.70 1itq n ASN 316 Cb 0.16 -2.79 -0.03 0.00 -0.53 0.00 0.00 39.78 36.59 1itq n ASN 316 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1itq s TRP 317 N -2.49 3.18 0.69 1.20 0.52 -0.32 -5.01 118.94 116.71 1itq s TRP 317 Ca 0.00 1.61 -0.11 0.00 0.02 0.00 0.00 56.10 57.62 1itq s TRP 317 Cb 0.00 -3.25 0.00 0.00 -1.15 0.00 0.00 33.47 29.07 1itq s TRP 317 CO 0.00 -0.94 1.07 0.95 0.02 0.00 0.00 176.95 178.05 1itq s THR 318 N -1.53 3.85 0.24 2.01 -4.23 -1.26 -4.63 115.64 110.08 1itq s THR 318 Ca 0.57 0.60 -0.07 0.00 -1.18 0.00 0.00 61.69 61.61 1itq s THR 318 Cb -0.26 -3.54 0.23 0.00 1.34 0.00 0.00 72.50 70.28 1itq s THR 318 CO 0.33 -0.79 1.91 -0.08 -0.54 0.00 0.00 174.62 175.45 1itq h GLU 319 N -0.62 1.25 -0.51 3.99 4.81 -1.99 -1.71 114.58 119.80 1itq h GLU 319 Ca -0.45 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 58.61 1itq h GLU 319 Cb 1.23 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1itq h GLU 319 CO 0.62 0.84 -0.03 0.00 -0.73 0.00 0.00 179.01 179.71 1itq h ALA 320 N 1.34 0.98 -0.73 2.92 0.00 -1.98 0.18 119.26 121.97 1itq h ALA 320 Ca 0.35 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1itq h ALA 320 Cb -0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1itq h ALA 320 CO -0.07 0.62 0.21 0.93 0.00 0.00 0.00 179.25 180.93 1itq h GLU 321 N 0.82 1.15 0.06 0.00 5.08 -1.76 -0.38 114.58 119.55 1itq h GLU 321 Ca 0.15 -0.26 -0.24 0.00 -1.00 0.00 0.00 59.36 58.01 1itq h GLU 321 Cb 0.53 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1itq h GLU 321 CO 0.03 0.99 -1.08 -0.39 -1.00 0.00 0.00 179.01 177.56 1itq h VAL 322 N 1.09 1.50 -0.82 3.13 -1.51 -1.05 -2.59 116.25 116.01 1itq h VAL 322 Ca 0.23 -2.87 -0.02 0.00 -1.23 0.00 0.00 66.70 62.82 1itq h VAL 322 Cb 0.34 2.72 -0.04 0.00 -2.13 0.00 0.00 31.29 32.18 1itq h VAL 322 CO -0.00 0.84 0.44 0.11 -1.23 0.00 0.00 177.57 177.73 1itq h LYS 323 N 0.11 1.14 -0.57 5.19 1.57 -0.44 0.12 116.57 123.69 1itq h LYS 323 Ca -0.09 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1itq h LYS 323 Cb 1.77 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 1itq h LYS 323 CO 0.17 0.84 -0.07 0.78 -0.57 0.00 0.00 179.45 180.60 1itq h GLY 324 N 1.17 1.14 2.00 3.86 0.00 -1.04 -1.51 103.07 108.68 1itq h GLY 324 Ca 0.29 -0.89 -0.13 0.00 0.00 0.00 0.00 47.33 46.60 1itq h GLY 324 CO -0.05 0.81 -0.64 0.00 0.00 0.00 0.00 176.54 176.67 1itq h ALA 325 N 0.96 0.95 0.49 3.60 0.00 -1.01 0.10 119.26 124.34 1itq h ALA 325 Ca 0.15 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1itq h ALA 325 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1itq h ALA 325 CO 0.04 0.80 -0.23 -0.07 0.00 0.00 0.00 179.25 179.79 1itq h LEU 326 N 0.00 -0.55 0.00 0.00 3.38 -0.54 -3.34 115.31 114.26 1itq h LEU 326 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1itq h LEU 326 Cb 1.13 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1itq h LEU 326 CO 0.08 -0.24 -0.13 0.00 0.09 0.00 0.00 178.44 178.24 1itq n ALA 327 N -2.57 2.04 -0.34 1.53 0.00 -0.62 -1.19 120.51 119.37 1itq n ALA 327 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.52 1itq n ALA 327 Cb 0.26 0.07 0.38 0.00 0.00 0.00 0.00 19.45 20.16 1itq n ALA 327 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1itq h ASP 328 N 0.00 0.68 0.04 0.00 3.45 -1.41 -2.27 116.42 116.90 1itq h ASP 328 Ca 0.00 0.10 -0.22 0.00 0.43 0.00 0.00 57.03 57.34 1itq h ASP 328 Cb 0.13 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 38.89 1itq h ASP 328 CO 0.00 0.19 -0.82 0.78 -1.57 0.00 0.00 179.24 177.82 1itq h ASN 329 N 0.63 0.76 -0.39 6.45 2.35 -1.05 -2.02 115.58 122.32 1itq h ASN 329 Ca 0.59 -0.53 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1itq h ASN 329 Cb 1.10 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 1itq h ASN 329 CO -0.38 1.31 0.03 0.25 -1.65 0.00 0.00 177.43 177.00 1itq h LEU 330 N 0.41 0.65 -0.92 1.61 7.12 -1.69 -2.19 115.31 120.31 1itq h LEU 330 Ca -0.06 -0.28 0.01 0.00 0.13 0.00 0.00 57.88 57.67 1itq h LEU 330 Cb 1.44 -0.17 -0.05 0.00 -0.53 0.00 0.00 40.66 41.35 1itq h LEU 330 CO 0.16 0.77 0.60 -0.07 -0.13 0.00 0.00 178.44 179.77 1itq h LEU 331 N 0.51 1.06 -0.29 2.25 3.38 -1.42 0.11 115.31 120.92 1itq h LEU 331 Ca 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1itq h LEU 331 Cb 0.42 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1itq h LEU 331 CO 0.01 0.78 0.12 -0.09 0.09 0.00 0.00 178.44 179.36 1itq h ARG 332 N 1.25 0.42 -0.63 1.13 2.43 -1.23 -1.68 114.38 116.07 1itq h ARG 332 Ca 0.34 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1itq h ARG 332 Cb -0.13 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1itq h ARG 332 CO -0.07 0.43 0.11 0.28 -1.51 0.00 0.00 179.97 179.21 1itq h VAL 333 N 0.32 1.26 -0.11 0.20 2.07 -0.92 -2.29 116.25 116.78 1itq h VAL 333 Ca 0.10 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1itq h VAL 333 Cb 0.15 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1itq h VAL 333 CO -0.01 0.37 0.05 0.15 0.02 0.00 0.00 177.57 178.16 1itq h PHE 334 N 0.96 0.17 -0.30 1.57 3.04 -0.60 -1.81 116.94 119.97 1itq h PHE 334 Ca 0.19 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 1itq h PHE 334 Cb 0.42 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 1itq h PHE 334 CO 0.03 0.23 0.01 0.93 -2.02 0.00 0.00 178.31 177.49 1itq h GLU 335 N 0.05 0.45 0.00 1.11 5.08 -1.28 -1.13 114.58 118.86 1itq h GLU 335 Ca 0.04 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1itq h GLU 335 Cb 0.13 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1itq h GLU 335 CO -0.00 0.47 -0.31 0.00 -1.00 0.00 0.00 179.01 178.17 1itq h ALA 336 N 1.58 1.20 0.06 3.43 0.00 -1.08 -1.05 119.26 123.39 1itq h ALA 336 Ca 0.10 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1itq h ALA 336 Cb 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1itq h ALA 336 CO 0.01 0.39 -1.06 0.28 0.00 0.00 0.00 179.25 178.86 1itq h VAL 337 N 0.00 1.51 -0.09 0.00 2.07 -0.40 -3.10 116.25 116.25 1itq h VAL 337 Ca -0.00 -2.90 -0.20 0.00 0.82 0.00 0.00 66.70 64.42 1itq h VAL 337 Cb 0.67 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1itq h VAL 337 CO 0.04 0.84 -0.76 -0.33 0.02 0.00 0.00 177.57 177.39 1itq h GLU 338 N 0.10 0.52 0.00 1.57 5.08 -0.77 -3.04 114.58 118.03 1itq h GLU 338 Ca -0.08 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1itq h GLU 338 Cb 1.75 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.09 1itq h GLU 338 CO 0.17 1.06 -0.08 1.96 -1.00 0.00 0.00 179.01 181.12 1itq h GLN 339 N 0.35 0.00 -0.00 2.33 4.20 -1.29 -3.10 115.11 117.60 1itq h GLN 339 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1itq h GLN 339 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1itq h GLN 339 CO 0.14 0.08 -0.54 0.00 -0.67 0.00 0.00 178.83 177.83 1itq n ALA 340 N -2.13 3.67 -1.79 3.87 0.00 -1.17 -4.91 120.51 118.05 1itq n ALA 340 Ca 0.02 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.71 1itq n ALA 340 Cb 0.43 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 1itq n ALA 340 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1itq s SER 341 N -2.95 6.57 -0.54 0.00 1.04 -1.16 -4.64 113.70 112.02 1itq s SER 341 Ca 0.12 1.99 0.04 0.00 0.48 0.00 0.00 55.95 58.57 1itq s SER 341 Cb 0.17 -2.57 0.16 0.00 0.10 0.00 0.00 66.02 63.88 1itq s SER 341 CO 0.70 -0.63 0.37 0.21 0.98 0.00 0.00 173.24 174.88 1itq s ASN 342 N -1.76 3.53 0.48 7.02 3.04 0.37 -4.94 114.94 122.68 1itq s ASN 342 Ca 0.62 -3.25 0.25 0.00 0.04 0.00 0.00 52.86 50.52 1itq s ASN 342 Cb -0.19 -1.13 1.23 0.00 -1.54 0.00 0.00 41.25 39.61 1itq s ASN 342 CO 0.24 -0.17 1.98 -0.07 -3.04 0.00 0.00 177.10 176.04 1itq h LEU 343 N 5.90 0.00 -0.48 3.21 -0.00 -1.92 -2.46 115.31 119.55 1itq h LEU 343 Ca 0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.83 1itq h LEU 343 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.50 1itq h LEU 343 CO 0.55 0.18 -0.70 0.74 -0.00 0.00 0.00 178.44 179.21 1itq h THR 344 N 0.00 1.41 -4.05 0.22 2.02 -1.92 -3.45 112.91 107.13 1itq h THR 344 Ca -0.00 -2.17 -0.54 0.00 0.77 0.00 0.00 66.41 64.47 1itq h THR 344 Cb 0.48 2.14 0.12 0.00 -1.74 0.00 0.00 68.15 69.14 1itq h THR 344 CO 0.02 0.64 0.57 -1.58 0.37 0.00 0.00 175.52 175.54 1itq s GLN 345 N -3.59 3.17 0.15 6.66 0.74 -0.93 -4.93 119.66 120.93 1itq s GLN 345 Ca -0.04 2.10 -0.31 0.00 0.05 0.00 0.00 55.36 57.16 1itq s GLN 345 Cb 0.11 -2.21 -0.10 0.00 1.10 0.00 0.00 33.01 31.91 1itq s GLN 345 CO 0.82 -1.13 1.58 0.00 -0.55 0.00 0.00 175.29 176.01 1itq s ALA 346 N -1.38 3.76 0.61 1.58 0.00 -1.26 -4.97 121.76 120.10 1itq s ALA 346 Ca 0.72 1.35 -0.19 0.00 0.00 0.00 0.00 51.96 53.83 1itq s ALA 346 Cb -0.37 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.09 1itq s ALA 346 CO 0.43 -0.82 1.27 -2.30 0.00 0.00 0.00 175.76 174.34 1itq n PRO 347 N 4.19 1.27 -2.36 0.00 -0.02 -1.26 -4.95 135.00 131.88 1itq n PRO 347 Ca 0.14 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 1itq n PRO 347 Cb 0.39 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 1itq n PRO 347 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1itq s GLU 348 N -3.13 4.52 0.00 -0.52 0.41 -1.26 -4.92 118.70 113.80 1itq s GLU 348 Ca 0.78 1.91 0.00 0.00 -0.41 0.00 0.00 54.97 57.25 1itq s GLU 348 Cb -0.40 -3.20 0.00 0.00 -1.78 0.00 0.00 34.13 28.76 1itq s GLU 348 CO 0.44 -0.01 0.19 -0.85 -0.49 0.00 0.00 175.26 174.55 1itq n GLU 349 N 1.82 -0.00 -2.46 1.61 0.28 -1.26 -4.86 120.64 115.76 1itq n GLU 349 Ca 0.02 -0.21 -0.42 0.00 -0.16 0.00 0.00 57.16 56.39 1itq n GLU 349 Cb 0.44 -0.57 -0.03 0.00 1.43 0.00 0.00 31.44 32.71 1itq n GLU 349 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1itq s GLU 350 N -0.04 3.38 0.99 3.44 2.12 -1.26 -4.99 118.70 122.35 1itq s GLU 350 Ca 0.00 0.37 -0.11 0.00 0.36 0.00 0.00 54.97 55.59 1itq s GLU 350 Cb 0.00 -4.09 0.19 0.00 0.26 0.00 0.00 34.13 30.49 1itq s GLU 350 CO 0.00 -1.85 1.09 -1.25 -0.54 0.00 0.00 175.26 172.72 1itq s PRO 351 N 5.31 0.42 0.36 4.30 0.04 -1.26 -4.98 135.00 139.19 1itq s PRO 351 Ca 0.49 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 1itq s PRO 351 Cb -0.10 -1.69 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 1itq s PRO 351 CO 0.25 -2.91 1.13 -1.50 0.04 0.00 0.00 177.00 174.01 1itq s ILE 352 N -2.64 3.34 0.32 0.56 2.07 -1.26 -4.95 121.20 118.63 1itq s ILE 352 Ca 0.67 1.18 -0.29 0.00 -1.41 0.00 0.00 60.65 60.80 1itq s ILE 352 Cb -0.22 -3.69 -0.13 0.00 0.13 0.00 0.00 42.46 38.55 1itq s ILE 352 CO 0.60 0.16 1.28 -2.65 -1.91 0.00 0.00 174.94 172.42 1itq n PRO 353 N 0.42 2.04 -0.26 3.50 -0.02 -1.26 -4.87 135.00 134.55 1itq n PRO 353 Ca 0.03 0.72 0.07 0.00 -2.02 0.00 0.00 63.50 62.30 1itq n PRO 353 Cb 0.46 -2.29 0.32 0.00 -0.02 0.00 0.00 33.50 31.97 1itq n PRO 353 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1itq h LEU 354 N 2.78 0.75 -2.12 2.45 5.85 -1.96 -0.20 115.31 122.86 1itq h LEU 354 Ca -0.45 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1itq h LEU 354 Cb 1.29 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1itq h LEU 354 CO 0.65 0.45 0.00 -2.24 -0.34 0.00 0.00 178.44 176.96 1itq h ASP 355 N 0.84 0.00 0.57 1.25 2.03 -2.04 -2.00 116.42 117.06 1itq h ASP 355 Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 1itq h ASP 355 Cb 0.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1itq h ASP 355 CO -0.16 0.00 -0.39 0.00 -1.03 0.00 0.00 179.24 177.66 1itq n GLN 356 N -2.96 0.07 -2.94 4.15 6.02 -0.09 -4.79 117.38 116.84 1itq n GLN 356 Ca -0.01 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.52 1itq n GLN 356 Cb 0.17 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 1itq n GLN 356 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1itq s LEU 357 N -2.96 4.09 0.59 1.08 1.43 -0.75 -4.76 118.68 117.40 1itq s LEU 357 Ca 0.13 0.61 0.09 0.00 -1.03 0.00 0.00 54.13 53.92 1itq s LEU 357 Cb 0.18 -3.07 0.09 0.00 0.03 0.00 0.00 46.19 43.42 1itq s LEU 357 CO 0.65 -0.64 0.75 -0.83 0.23 0.00 0.00 176.35 176.51 1itq s GLY 358 N 1.67 1.82 0.00 -3.19 0.00 -1.26 -5.04 107.32 101.32 1itq s GLY 358 Ca 0.32 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 43.02 1itq s GLY 358 CO 0.13 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 172.08 1itq n GLY 359 N -2.22 -2.25 1.36 0.20 0.00 -1.26 -4.75 105.19 96.27 1itq n GLY 359 Ca 0.13 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 1itq n GLY 359 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1itq n SER 360 N -1.91 2.89 -2.32 1.61 7.64 -1.26 -4.68 113.62 115.59 1itq n SER 360 Ca 0.00 -3.78 -0.27 0.00 1.01 0.00 0.00 58.87 55.83 1itq n SER 360 Cb 0.00 -0.65 0.01 0.00 -1.01 0.00 0.00 64.21 62.56 1itq n SER 360 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itq s ARG 362 N -3.60 1.56 0.26 0.00 1.70 -1.26 -4.88 118.95 112.72 1itq s ARG 362 Ca 0.50 -1.04 0.11 0.00 -0.47 0.00 0.00 55.73 54.83 1itq s ARG 362 Cb 0.41 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 35.27 1itq s ARG 362 CO -0.11 -0.67 -0.18 0.95 -1.08 0.00 0.00 175.30 174.21 1itq s THR 363 N -3.94 2.60 -0.37 4.99 -4.23 -1.26 -5.08 115.64 108.36 1itq s THR 363 Ca 0.14 -2.24 0.06 0.00 -1.18 0.00 0.00 61.69 58.48 1itq s THR 363 Cb -0.02 -2.34 0.59 0.00 1.34 0.00 0.00 72.50 72.06 1itq s THR 363 CO 0.04 -0.33 1.69 1.41 -0.54 0.00 0.00 174.62 176.90 1itq n HIS 364 N -0.45 2.07 -1.86 3.99 -0.00 -1.26 -5.01 115.22 112.70 1itq n HIS 364 Ca -0.07 -1.72 -0.37 0.00 -0.00 0.00 0.00 57.72 55.56 1itq n HIS 364 Cb 0.59 -0.72 0.05 0.00 -0.00 0.00 0.00 29.99 29.91 1itq n HIS 364 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1itq s TYR 365 N -3.27 2.26 0.00 4.41 2.02 -1.26 -0.54 117.35 120.97 1itq s TYR 365 Ca 0.51 1.47 0.00 0.00 -0.37 0.00 0.00 57.07 58.67 1itq s TYR 365 Cb 0.44 -3.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.36 1itq s TYR 365 CO 0.05 -2.64 0.00 0.41 -1.57 0.00 0.00 175.55 171.80 1itq n GLY 366 N 0.72 2.89 0.37 0.71 0.00 -1.26 -4.64 105.19 103.98 1itq n GLY 366 Ca 0.13 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1itq n GLY 366 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1itq n TYR 367 N 0.00 0.00 -0.91 1.61 4.01 -0.91 -5.02 117.16 115.95 1itq n TYR 367 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1itq n TYR 367 Cb 0.00 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 1itq n TYR 367 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1itq n SER 368 N -3.58 -0.09 -0.82 7.72 7.64 0.30 -5.17 113.62 119.62 1itq n SER 368 Ca -0.33 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.67 1itq n SER 368 Cb 0.76 -0.01 0.22 0.00 -1.01 0.00 0.00 64.21 64.17 1itq n SER 368 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83