#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bit s ASP 7 N 0.00 6.64 0.14 4.38 -1.08 -1.26 -4.92 116.67 120.58 3bit s ASP 7 Ca 0.00 0.48 0.08 0.00 -0.52 0.00 0.00 52.55 52.59 3bit s ASP 7 Cb 0.00 -2.54 -0.16 0.00 -1.46 0.00 0.00 42.92 38.75 3bit s ASP 7 CO 0.00 -1.22 1.31 -0.26 0.52 0.00 0.00 175.17 175.52 3bit h PHE 8 N 9.14 0.00 -0.46 -5.34 0.04 -1.98 -2.05 116.94 116.29 3bit h PHE 8 Ca -0.23 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.60 3bit h PHE 8 Cb 1.06 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.16 3bit h PHE 8 CO 0.96 0.93 0.16 -0.44 -0.60 0.00 0.00 178.31 179.32 3bit h ASP 9 N 0.00 0.16 -0.18 2.17 3.45 -1.99 0.82 116.42 120.85 3bit h ASP 9 Ca -0.01 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.48 3bit h ASP 9 Cb 1.71 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 40.52 3bit h ASP 9 CO 0.12 0.12 0.01 0.58 -1.57 0.00 0.00 179.24 178.50 3bit h VAL 10 N 0.33 1.25 -0.69 -1.35 2.07 -1.94 -1.49 116.25 114.43 3bit h VAL 10 Ca 0.22 -0.82 0.14 0.00 0.82 0.00 0.00 66.70 67.06 3bit h VAL 10 Cb 0.23 1.44 -0.10 0.00 -1.52 0.00 0.00 31.29 31.34 3bit h VAL 10 CO -0.23 0.25 0.18 0.15 0.02 0.00 0.00 177.57 177.94 3bit h PHE 11 N 0.07 0.28 -0.16 1.57 3.57 -1.28 -1.06 116.94 119.93 3bit h PHE 11 Ca 0.05 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3bit h PHE 11 Cb 0.37 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3bit h PHE 11 CO 0.03 -0.04 0.03 -0.22 -2.23 0.00 0.00 178.31 175.88 3bit h LYS 12 N 0.29 0.26 -0.72 1.11 3.64 -0.53 -1.10 116.57 119.52 3bit h LYS 12 Ca 0.38 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 3bit h LYS 12 Cb 0.61 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 3bit h LYS 12 CO -0.46 0.42 0.46 -0.22 -2.27 0.00 0.00 179.45 177.38 3bit h LYS 13 N 0.06 0.88 -0.10 1.90 3.64 -1.08 -1.03 116.57 120.84 3bit h LYS 13 Ca 0.05 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 3bit h LYS 13 Cb 0.28 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3bit h LYS 13 CO 0.00 0.58 -0.65 0.00 -2.27 0.00 0.00 179.45 177.11 3bit h ARG 14 N 0.90 0.62 -0.87 1.90 3.08 -1.08 -0.34 114.38 118.59 3bit h ARG 14 Ca 0.28 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 3bit h ARG 14 Cb -0.01 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3bit h ARG 14 CO -0.10 1.15 0.49 0.97 -1.07 0.00 0.00 179.97 181.42 3bit h ILE 15 N 0.27 1.25 -0.49 2.04 6.09 -1.18 -1.44 117.51 124.04 3bit h ILE 15 Ca -0.05 -0.59 -0.12 0.00 -1.37 0.00 0.00 64.86 62.72 3bit h ILE 15 Cb 1.30 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.63 3bit h ILE 15 CO 0.13 0.27 -0.17 -0.33 -3.07 0.00 0.00 178.15 174.98 3bit h GLU 16 N 1.21 0.98 -0.01 2.19 5.08 -1.06 -1.15 114.58 121.83 3bit h GLU 16 Ca 0.31 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3bit h GLU 16 Cb -0.00 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3bit h GLU 16 CO -0.05 1.08 -0.20 1.25 -1.00 0.00 0.00 179.01 180.08 3bit h LEU 17 N 0.84 -0.59 0.11 1.33 5.85 -0.83 0.16 115.31 122.17 3bit h LEU 17 Ca 0.12 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3bit h LEU 17 Cb 0.75 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3bit h LEU 17 CO 0.06 -0.27 -0.14 0.25 -0.34 0.00 0.00 178.44 178.00 3bit h LEU 18 N -0.32 -0.38 -1.19 2.25 6.46 -1.12 -2.20 115.31 118.81 3bit h LEU 18 Ca 0.06 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3bit h LEU 18 Cb 0.40 0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.43 3bit h LEU 18 CO -0.19 -0.21 0.48 0.22 -0.62 0.00 0.00 178.44 178.12 3bit h TYR 19 N -0.29 1.00 0.00 1.25 5.03 -1.17 -0.56 116.97 122.22 3bit h TYR 19 Ca 0.02 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.33 3bit h TYR 19 Cb 0.30 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.24 3bit h TYR 19 CO -0.15 0.65 0.00 -1.13 -1.32 0.00 0.00 178.16 176.21 3bit n SER 20 N -4.40 0.65 -0.04 -2.11 3.41 0.04 -3.89 113.62 107.28 3bit n SER 20 Ca 0.08 0.65 -0.02 0.00 -0.26 0.00 0.00 58.87 59.32 3bit n SER 20 Cb 0.05 -0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 63.13 3bit n SER 20 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bit n LYS 21 N -2.20 1.75 0.21 4.33 4.76 -0.54 -4.84 118.16 121.63 3bit n LYS 21 Ca 0.03 -0.03 0.06 0.00 -2.87 0.00 0.00 58.31 55.49 3bit n LYS 21 Cb 0.25 -1.27 0.45 0.00 -1.84 0.00 0.00 35.03 32.62 3bit n LYS 21 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 3bit h TYR 22 N 0.00 0.00 0.00 2.13 -0.00 -1.26 -0.61 116.97 117.22 3bit h TYR 22 Ca -0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.52 3bit h TYR 22 Cb 1.34 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.06 3bit h TYR 22 CO 0.00 0.30 -0.03 -0.91 -0.00 0.00 0.00 178.16 177.52 3bit h ASN 23 N 0.00 0.00 0.13 0.10 4.21 -1.82 -1.94 115.58 116.26 3bit h ASN 23 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3bit h ASN 23 Cb 0.64 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 3bit h ASN 23 CO 0.04 0.03 -0.22 -0.62 -1.29 0.00 0.00 177.43 175.37 3bit n GLU 24 N -3.26 1.15 -0.85 0.81 1.02 -0.24 -4.27 120.64 115.00 3bit n GLU 24 Ca -0.02 -0.75 -0.32 0.00 -0.02 0.00 0.00 57.16 56.05 3bit n GLU 24 Cb 0.19 -1.48 0.15 0.00 -0.02 0.00 0.00 31.44 30.27 3bit n GLU 24 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3bit n PHE 25 N -0.27 0.82 -1.68 -0.32 3.72 -0.73 -4.86 117.46 114.14 3bit n PHE 25 Ca 0.13 0.39 -0.45 0.00 -0.05 0.00 0.00 57.45 57.48 3bit n PHE 25 Cb 0.38 -2.02 -0.04 0.00 -0.94 0.00 0.00 39.48 36.86 3bit n PHE 25 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3bit n GLU 26 N -3.67 2.33 -0.60 -1.08 4.07 -1.26 -1.24 120.64 119.19 3bit n GLU 26 Ca 0.12 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 58.06 3bit n GLU 26 Cb 0.51 -2.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.27 3bit n GLU 26 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3bit n GLY 27 N 3.46 1.06 3.65 8.31 0.00 -1.26 -4.62 105.19 115.79 3bit n GLY 27 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3bit n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bit n SER 28 N 0.00 -5.50 -4.77 1.61 7.64 -0.37 -4.89 113.62 107.34 3bit n SER 28 Ca 0.00 -0.84 -0.40 0.00 1.01 0.00 0.00 58.87 58.64 3bit n SER 28 Cb 0.00 -2.88 -0.01 0.00 -1.01 0.00 0.00 64.21 60.31 3bit n SER 28 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3bit s PRO 29 N -5.15 4.17 0.22 1.43 0.04 -1.26 -4.91 135.00 129.54 3bit s PRO 29 Ca 0.20 2.19 0.05 0.00 0.04 0.00 0.00 61.00 63.48 3bit s PRO 29 Cb -0.08 -2.92 0.17 0.00 0.04 0.00 0.00 34.50 31.71 3bit s PRO 29 CO 0.87 -0.34 1.50 -0.91 0.04 0.00 0.00 177.00 178.16 3bit h ASN 30 N 3.04 0.19 -5.14 6.66 4.21 -1.35 -3.40 115.58 119.80 3bit h ASN 30 Ca -0.49 -0.13 -0.17 0.00 1.21 0.00 0.00 56.30 56.72 3bit h ASN 30 Cb 1.24 -0.06 -0.15 0.00 -1.12 0.00 0.00 38.32 38.23 3bit h ASN 30 CO 0.64 0.83 -0.67 -0.44 -1.29 0.00 0.00 177.43 176.50 3bit s SER 31 N -6.88 0.60 0.04 5.81 0.01 -1.16 -4.33 113.70 107.78 3bit s SER 31 Ca -0.03 -1.08 0.09 0.00 1.31 0.00 0.00 55.95 56.24 3bit s SER 31 Cb 0.11 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.52 3bit s SER 31 CO 0.80 -0.61 -0.25 -0.76 0.41 0.00 0.00 173.24 172.83 3bit s LEU 32 N -3.00 2.15 -0.04 2.44 1.43 -0.12 -1.62 118.68 119.93 3bit s LEU 32 Ca 0.14 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3bit s LEU 32 Cb 0.07 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 45.13 3bit s LEU 32 CO -0.05 0.24 0.07 -0.22 0.23 0.00 0.00 176.35 176.62 3bit s LEU 33 N -1.13 0.43 -0.10 1.79 2.96 -0.66 -0.75 118.68 121.22 3bit s LEU 33 Ca 0.10 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3bit s LEU 33 Cb -0.10 -0.03 0.02 0.00 0.50 0.00 0.00 46.19 46.59 3bit s LEU 33 CO 0.02 -0.21 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.36 3bit s PHE 34 N 1.79 1.68 -0.14 5.38 0.40 0.52 -4.48 117.98 123.13 3bit s PHE 34 Ca -0.00 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.56 3bit s PHE 34 Cb -0.12 -1.27 0.02 0.00 0.51 0.00 0.00 43.02 42.15 3bit s PHE 34 CO -0.04 -0.44 -0.17 0.08 0.70 0.00 0.00 175.22 175.35 3bit s VAL 35 N 1.16 1.74 -0.15 -0.44 1.01 -1.26 -0.69 120.40 121.77 3bit s VAL 35 Ca -0.04 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3bit s VAL 35 Cb -0.14 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3bit s VAL 35 CO -0.03 0.49 -0.20 -0.22 0.00 0.00 0.00 175.10 175.14 3bit s LEU 36 N 1.16 2.21 0.00 3.92 1.98 -0.49 -4.89 118.68 122.57 3bit s LEU 36 Ca -0.01 -0.57 0.00 0.00 -2.89 0.00 0.00 54.13 50.66 3bit s LEU 36 Cb -0.14 -1.48 0.00 0.00 0.66 0.00 0.00 46.19 45.23 3bit s LEU 36 CO -0.07 0.08 0.00 0.61 -1.89 0.00 0.00 176.35 175.08 3bit n GLY 37 N 4.08 0.60 3.82 7.98 0.00 -1.26 -1.31 105.19 119.09 3bit n GLY 37 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3bit n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bit s SER 38 N -1.00 6.76 0.11 1.61 0.01 -0.05 -0.94 113.70 120.20 3bit s SER 38 Ca 0.00 1.73 -0.31 0.00 1.31 0.00 0.00 55.95 58.68 3bit s SER 38 Cb 0.00 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 3bit s SER 38 CO 0.00 -0.49 1.26 -0.94 0.41 0.00 0.00 173.24 173.48 3bit s SER 39 N -2.26 6.99 -0.25 2.44 1.04 -1.26 -4.67 113.70 115.73 3bit s SER 39 Ca 0.63 2.18 0.02 0.00 0.48 0.00 0.00 55.95 59.25 3bit s SER 39 Cb -0.11 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.49 3bit s SER 39 CO 0.17 -0.51 -0.05 0.21 0.98 0.00 0.00 173.24 174.04 3bit s ASN 40 N 0.83 4.09 0.59 7.02 3.84 -1.26 -5.00 114.94 125.04 3bit s ASN 40 Ca 0.59 -1.34 0.36 0.00 0.21 0.00 0.00 52.86 52.68 3bit s ASN 40 Cb -0.33 -1.29 1.83 0.00 -0.55 0.00 0.00 41.25 40.91 3bit s ASN 40 CO 0.32 -0.25 2.18 0.00 -2.79 0.00 0.00 177.10 176.56 3bit h ALA 41 N 7.89 1.13 0.00 1.71 0.00 -2.01 -2.60 119.26 125.38 3bit h ALA 41 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3bit h ALA 41 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3bit h ALA 41 CO 0.44 0.05 -0.23 0.93 0.00 0.00 0.00 179.25 180.43 3bit h GLU 42 N 0.00 0.00 -2.80 0.00 5.08 -2.04 -3.37 114.58 111.45 3bit h GLU 42 Ca -0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 3bit h GLU 42 Cb 0.23 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.07 3bit h GLU 42 CO 0.00 0.00 -0.76 1.21 -1.00 0.00 0.00 179.01 178.46 3bit s ASN 43 N -5.23 3.29 0.00 1.42 3.04 -0.98 -4.97 114.94 111.51 3bit s ASN 43 Ca 0.07 -3.25 0.29 0.00 0.04 0.00 0.00 52.86 50.01 3bit s ASN 43 Cb 0.09 -1.04 1.31 0.00 -1.54 0.00 0.00 41.25 40.06 3bit s ASN 43 CO 0.67 -0.16 1.91 -0.81 -3.04 0.00 0.00 177.10 175.67 3bit n PRO 44 N 2.69 0.67 -0.55 0.43 -0.04 -1.25 -4.36 135.00 132.59 3bit n PRO 44 Ca 0.20 -0.19 0.03 0.00 -0.04 0.00 0.00 63.50 63.51 3bit n PRO 44 Cb 0.40 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.57 3bit n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bit n TYR 45 N -1.00 0.75 -2.21 0.54 0.53 -1.26 -4.68 117.16 109.83 3bit n TYR 45 Ca 0.15 -1.27 -0.33 0.00 -1.02 0.00 0.00 57.90 55.43 3bit n TYR 45 Cb 0.26 -0.36 -0.00 0.00 -1.03 0.00 0.00 39.34 38.22 3bit n TYR 45 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 3bit s GLN 46 N -3.06 3.43 0.27 -0.72 -0.21 -1.26 -4.84 119.66 113.28 3bit s GLN 46 Ca 0.41 1.32 -0.03 0.00 0.02 0.00 0.00 55.36 57.09 3bit s GLN 46 Cb 0.36 -2.04 0.40 0.00 1.00 0.00 0.00 33.01 32.73 3bit s GLN 46 CO 0.02 -0.73 1.92 0.87 -2.12 0.00 0.00 175.29 175.24 3bit h LYS 47 N 0.86 1.15 -0.41 2.91 1.79 -1.95 -0.30 116.57 120.62 3bit h LYS 47 Ca -0.48 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 57.85 3bit h LYS 47 Cb 1.23 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 31.60 3bit h LYS 47 CO 0.58 0.76 -0.01 1.15 -1.08 0.00 0.00 179.45 180.85 3bit h THR 48 N 1.19 1.26 -0.35 -0.16 2.02 -1.94 0.23 112.91 115.15 3bit h THR 48 Ca 0.39 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.53 3bit h THR 48 Cb 0.04 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3bit h THR 48 CO -0.12 0.35 0.22 0.74 0.37 0.00 0.00 175.52 177.08 3bit h THR 49 N 0.56 1.06 -0.48 3.16 2.02 -1.79 -0.90 112.91 116.54 3bit h THR 49 Ca 0.11 -0.15 0.05 0.00 0.77 0.00 0.00 66.41 67.19 3bit h THR 49 Cb 0.50 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 3bit h THR 49 CO 0.02 0.08 0.21 0.40 0.37 0.00 0.00 175.52 176.60 3bit h ILE 50 N 0.45 0.90 -0.27 3.11 1.08 -0.66 -0.79 117.51 121.34 3bit h ILE 50 Ca 0.13 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.51 3bit h ILE 50 Cb -0.03 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.13 3bit h ILE 50 CO -0.05 0.08 -0.06 0.25 -0.69 0.00 0.00 178.15 177.68 3bit h LEU 51 N 0.42 -0.23 -0.26 1.44 5.85 -0.08 0.19 115.31 122.64 3bit h LEU 51 Ca 0.22 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.06 3bit h LEU 51 Cb 0.18 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3bit h LEU 51 CO -0.19 -0.08 0.03 0.45 -0.34 0.00 0.00 178.44 178.31 3bit h HIS 52 N 0.01 0.05 -0.54 1.25 3.86 -0.84 0.18 115.15 119.12 3bit h HIS 52 Ca 0.13 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.42 3bit h HIS 52 Cb 0.19 0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.62 3bit h HIS 52 CO -0.26 -0.00 0.21 -0.91 0.86 0.00 0.00 177.93 177.83 3bit h ASN 53 N 0.12 0.24 -0.46 2.45 2.35 -0.68 0.23 115.58 119.82 3bit h ASN 53 Ca 0.12 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3bit h ASN 53 Cb 0.14 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3bit h ASN 53 CO -0.18 0.16 0.08 -0.25 -1.65 0.00 0.00 177.43 175.59 3bit h TRP 54 N 0.40 0.81 0.20 1.19 7.01 0.05 -1.20 115.95 124.42 3bit h TRP 54 Ca 0.26 -0.11 -0.31 0.00 2.11 0.00 0.00 58.89 60.83 3bit h TRP 54 Cb 0.27 -0.22 0.02 0.00 -2.10 0.00 0.00 29.16 27.12 3bit h TRP 54 CO -0.15 0.76 -1.47 -0.07 -2.79 0.00 0.00 178.44 174.72 3bit h LEU 55 N 0.63 0.67 -0.71 0.65 3.38 -0.48 -3.41 115.31 116.03 3bit h LEU 55 Ca 0.14 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.19 3bit h LEU 55 Cb 0.38 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3bit h LEU 55 CO 0.01 1.68 0.00 0.18 0.09 0.00 0.00 178.44 180.40 3bit n LEU 56 N -3.76 0.71 0.00 1.67 4.77 0.77 -4.04 117.00 117.12 3bit n LEU 56 Ca -0.20 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3bit n LEU 56 Cb 1.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3bit n LEU 56 CO 0.54 0.18 0.00 -1.54 -1.33 0.00 0.00 177.39 175.23 3bit n SER 57 N -0.23 -2.45 0.00 -1.43 3.41 -0.45 -4.86 113.62 107.61 3bit n SER 57 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3bit n SER 57 Cb 0.01 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3bit n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bit n TYR 58 N -2.76 0.00 -3.02 7.33 4.11 -1.24 -4.90 117.16 116.68 3bit n TYR 58 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.50 3bit n TYR 58 Cb 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.31 3bit n TYR 58 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 3bit s GLU 59 N -1.89 4.45 -0.48 -3.48 2.12 -1.26 -4.20 118.70 113.96 3bit s GLU 59 Ca 0.00 0.97 -0.11 0.00 0.36 0.00 0.00 54.97 56.19 3bit s GLU 59 Cb 0.00 -3.40 0.12 0.00 0.26 0.00 0.00 34.13 31.11 3bit s GLU 59 CO 0.00 0.18 0.37 -0.06 -0.54 0.00 0.00 175.26 175.21 3bit s PHE 60 N 0.36 3.38 0.74 5.30 0.40 -1.26 -5.09 117.98 121.81 3bit s PHE 60 Ca 0.38 -1.72 -0.15 0.00 -0.60 0.00 0.00 56.93 54.84 3bit s PHE 60 Cb -0.19 -3.52 0.03 0.00 0.51 0.00 0.00 43.02 39.86 3bit s PHE 60 CO 0.20 -0.99 1.14 -2.30 0.70 0.00 0.00 175.22 173.98 3bit n PRO 61 N 4.98 0.51 -3.60 0.24 -0.02 -1.26 -3.91 135.00 131.94 3bit n PRO 61 Ca -0.09 0.24 -0.21 0.00 -2.02 0.00 0.00 63.50 61.42 3bit n PRO 61 Cb 0.41 -2.39 0.05 0.00 -0.02 0.00 0.00 33.50 31.55 3bit n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bit n ALA 62 N -2.71 -2.14 -3.57 3.55 0.00 -0.11 -4.87 120.51 110.66 3bit n ALA 62 Ca 0.14 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 3bit n ALA 62 Cb 0.49 -2.75 -0.15 0.00 0.00 0.00 0.00 19.45 17.05 3bit n ALA 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bit s THR 63 N -3.57 -0.04 -0.09 0.00 2.01 -0.64 -4.49 115.64 108.81 3bit s THR 63 Ca 0.11 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.28 3bit s THR 63 Cb -0.03 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 3bit s THR 63 CO 0.80 0.06 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.48 3bit s LEU 64 N 0.87 2.99 -0.10 4.42 0.20 -0.42 -1.40 118.68 125.24 3bit s LEU 64 Ca -0.07 -0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.63 3bit s LEU 64 Cb -0.10 -1.66 0.02 0.00 -0.43 0.00 0.00 46.19 44.02 3bit s LEU 64 CO -0.03 0.30 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.56 3bit s ILE 65 N -0.41 1.34 -0.00 6.68 1.01 0.14 -0.67 121.20 129.28 3bit s ILE 65 Ca 0.06 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.23 3bit s ILE 65 Cb -0.12 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3bit s ILE 65 CO 0.02 0.41 -0.24 0.00 0.00 0.00 0.00 174.94 175.13 3bit s ALA 66 N 0.98 2.03 -0.20 9.38 0.00 0.35 -0.36 121.76 133.94 3bit s ALA 66 Ca -0.08 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 3bit s ALA 66 Cb -0.15 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3bit s ALA 66 CO -0.01 0.49 -0.11 -0.51 0.00 0.00 0.00 175.76 175.62 3bit s LEU 67 N -0.75 2.58 0.25 0.00 1.02 0.07 -0.73 118.68 121.12 3bit s LEU 67 Ca 0.10 -0.55 0.08 0.00 0.02 0.00 0.00 54.13 53.77 3bit s LEU 67 Cb -0.09 -1.62 -0.05 0.00 0.02 0.00 0.00 46.19 44.45 3bit s LEU 67 CO -0.00 -0.02 -0.11 0.68 0.02 0.00 0.00 176.35 176.92 3bit s VAL 68 N 1.38 1.79 -0.06 -1.59 -7.23 -0.50 -0.94 120.40 113.25 3bit s VAL 68 Ca 0.05 -2.20 -0.37 0.00 -1.81 0.00 0.00 61.98 57.65 3bit s VAL 68 Cb -0.14 -2.25 -0.15 0.00 0.56 0.00 0.00 36.38 34.40 3bit s VAL 68 CO -0.08 -0.44 1.62 -2.65 -0.31 0.00 0.00 175.10 173.24 3bit n PRO 69 N -0.50 1.49 -0.42 4.82 -0.02 -1.26 -1.49 135.00 137.63 3bit n PRO 69 Ca -0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3bit n PRO 69 Cb 0.62 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3bit n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bit n GLY 70 N 3.58 1.24 3.58 -1.23 0.00 -1.26 -5.00 105.19 106.09 3bit n GLY 70 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 3bit n GLY 70 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bit s LYS 71 N -0.35 0.70 -0.18 1.61 2.20 -0.55 -1.71 119.74 121.45 3bit s LYS 71 Ca 0.00 1.07 -0.04 0.00 -0.36 0.00 0.00 55.97 56.65 3bit s LYS 71 Cb 0.00 0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 3bit s LYS 71 CO 0.00 -0.13 -0.03 0.08 -0.36 0.00 0.00 175.35 174.91 3bit s VAL 72 N 1.17 3.74 -0.15 4.02 1.01 -0.55 -1.41 120.40 128.23 3bit s VAL 72 Ca -0.06 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 3bit s VAL 72 Cb -0.05 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3bit s VAL 72 CO -0.12 0.46 -0.08 -0.63 0.00 0.00 0.00 175.10 174.73 3bit s ILE 73 N 0.81 3.44 -0.19 2.22 -1.09 0.10 -0.64 121.20 125.84 3bit s ILE 73 Ca -0.01 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 3bit s ILE 73 Cb -0.14 -2.49 0.04 0.00 -1.58 0.00 0.00 42.46 38.28 3bit s ILE 73 CO 0.02 0.50 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.46 3bit s ILE 74 N 0.54 1.73 -0.28 2.92 1.01 -0.18 -0.49 121.20 126.45 3bit s ILE 74 Ca -0.06 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 3bit s ILE 74 Cb -0.15 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3bit s ILE 74 CO 0.03 0.29 0.12 -0.63 0.00 0.00 0.00 174.94 174.75 3bit s ILE 75 N 1.38 4.63 0.27 2.92 1.01 0.16 -0.40 121.20 131.16 3bit s ILE 75 Ca 0.01 -0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 3bit s ILE 75 Cb -0.15 -3.24 0.06 0.00 0.01 0.00 0.00 42.46 39.14 3bit s ILE 75 CO -0.09 0.23 0.89 0.28 0.00 0.00 0.00 174.94 176.25 3bit s THR 76 N 1.65 0.00 0.91 2.92 -1.32 -0.89 -1.31 115.64 117.60 3bit s THR 76 Ca 0.06 -0.81 -0.10 0.00 -1.21 0.00 0.00 61.69 59.63 3bit s THR 76 Cb -0.16 -2.59 0.14 0.00 -1.51 0.00 0.00 72.50 68.38 3bit s THR 76 CO 0.06 0.00 1.13 -0.94 -2.21 0.00 0.00 174.62 172.67 3bit s SER 77 N -3.13 2.97 0.20 8.08 1.04 -1.26 -1.76 113.70 119.84 3bit s SER 77 Ca 0.16 2.11 -0.08 0.00 0.48 0.00 0.00 55.95 58.62 3bit s SER 77 Cb -0.04 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.65 3bit s SER 77 CO 0.07 -3.06 1.72 0.28 0.98 0.00 0.00 173.24 173.23 3bit h SER 78 N -1.84 1.08 -0.33 7.02 0.02 -1.93 0.27 113.55 117.84 3bit h SER 78 Ca -0.44 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.26 3bit h SER 78 Cb 1.27 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3bit h SER 78 CO 0.43 1.03 0.14 0.00 -1.14 0.00 0.00 176.83 177.28 3bit h ALA 79 N 1.09 0.43 -0.38 3.77 0.00 -1.93 -1.65 119.26 120.60 3bit h ALA 79 Ca 0.23 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3bit h ALA 79 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3bit h ALA 79 CO 0.00 0.03 -0.07 0.87 0.00 0.00 0.00 179.25 180.08 3bit h LYS 80 N 0.39 0.63 -0.36 0.00 1.57 -1.79 -1.62 116.57 115.40 3bit h LYS 80 Ca 0.11 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3bit h LYS 80 Cb 0.18 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3bit h LYS 80 CO -0.01 0.70 0.24 0.00 -0.57 0.00 0.00 179.45 179.82 3bit h ALA 81 N 1.34 1.85 -0.65 3.86 0.00 -0.10 -1.42 119.26 124.14 3bit h ALA 81 Ca 0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3bit h ALA 81 Cb 0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3bit h ALA 81 CO 0.03 0.11 0.18 0.87 0.00 0.00 0.00 179.25 180.43 3bit h LYS 82 N 0.40 1.03 -0.47 0.00 1.57 -0.35 -1.81 116.57 116.94 3bit h LYS 82 Ca 0.15 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3bit h LYS 82 Cb 0.09 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3bit h LYS 82 CO -0.03 0.91 0.31 0.45 -0.57 0.00 0.00 179.45 180.53 3bit h HIS 83 N 0.95 0.45 -0.02 -1.35 3.86 -0.95 -2.91 115.15 115.19 3bit h HIS 83 Ca 0.21 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3bit h HIS 83 Cb 0.33 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3bit h HIS 83 CO 0.02 0.25 -0.33 1.28 0.86 0.00 0.00 177.93 180.02 3bit n LEU 84 N -4.48 2.09 -0.30 2.43 4.77 -0.99 -4.60 117.00 115.93 3bit n LEU 84 Ca 0.06 -0.74 -0.02 0.00 -0.03 0.00 0.00 56.01 55.28 3bit n LEU 84 Cb 0.20 -0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.38 3bit n LEU 84 CO 0.35 0.38 1.20 -0.61 -1.33 0.00 0.00 177.39 177.38 3bit h GLN 85 N 2.77 1.01 0.00 3.23 5.75 -1.13 -1.06 115.11 125.68 3bit h GLN 85 Ca 0.00 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 3bit h GLN 85 Cb 0.77 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.09 3bit h GLN 85 CO 0.00 0.67 -0.11 0.87 -2.65 0.00 0.00 178.83 177.60 3bit h LYS 86 N 1.04 0.00 -0.08 1.69 1.79 -1.81 -3.00 116.57 116.20 3bit h LYS 86 Ca 0.33 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 3bit h LYS 86 Cb 0.01 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3bit h LYS 86 CO -0.11 0.11 0.02 0.00 -1.08 0.00 0.00 179.45 178.39 3bit h ALA 87 N 1.89 1.89 -0.50 3.86 0.00 -1.53 -3.13 119.26 121.75 3bit h ALA 87 Ca -0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3bit h ALA 87 Cb 0.26 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3bit h ALA 87 CO 0.01 0.09 0.23 0.82 0.00 0.00 0.00 179.25 180.40 3bit h ILE 88 N 0.11 0.91 0.00 0.00 2.04 -1.66 -2.65 117.51 116.26 3bit h ILE 88 Ca 0.03 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3bit h ILE 88 Cb 0.04 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3bit h ILE 88 CO -0.00 0.08 -0.21 -0.78 0.00 0.00 0.00 178.15 177.24 3bit h ASP 89 N 0.44 0.00 -0.11 1.72 1.82 -1.78 -2.47 116.42 116.05 3bit h ASP 89 Ca 0.23 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.84 3bit h ASP 89 Cb 0.17 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 3bit h ASP 89 CO -0.18 0.21 -0.01 -0.07 -1.61 0.00 0.00 179.24 177.58 3bit h LEU 90 N 0.00 0.28 -2.25 2.28 4.07 -1.60 -2.46 115.31 115.62 3bit h LEU 90 Ca -0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 3bit h LEU 90 Cb 0.46 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 3bit h LEU 90 CO 0.03 0.34 0.03 0.49 -1.08 0.00 0.00 178.44 178.25 3bit n PHE 91 N -4.36 1.01 0.76 1.13 3.01 -0.93 -3.55 117.46 114.53 3bit n PHE 91 Ca 0.00 -0.41 0.09 0.00 1.01 0.00 0.00 57.45 58.14 3bit n PHE 91 Cb 0.19 -0.32 0.04 0.00 -0.01 0.00 0.00 39.48 39.38 3bit n PHE 91 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3bit n LYS 92 N 0.24 1.56 -0.87 -1.08 5.02 -0.93 -4.57 118.16 117.54 3bit n LYS 92 Ca 0.14 -1.23 -0.31 0.00 -2.02 0.00 0.00 58.31 54.89 3bit n LYS 92 Cb 0.72 -1.33 0.06 0.00 -0.02 0.00 0.00 35.03 34.47 3bit n LYS 92 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3bit n ASP 93 N 0.49 -2.75 -3.43 4.39 5.75 -1.23 -5.13 116.55 114.64 3bit n ASP 93 Ca 0.09 -0.06 -0.15 0.00 -0.01 0.00 0.00 54.79 54.67 3bit n ASP 93 Cb 0.41 -0.61 -0.11 0.00 -1.03 0.00 0.00 41.12 39.78 3bit n ASP 93 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 3bit s PRO 94 N -2.40 0.26 0.00 0.11 0.05 -1.26 -5.04 135.00 126.72 3bit s PRO 94 Ca 0.36 0.29 0.00 0.00 0.05 0.00 0.00 61.00 61.70 3bit s PRO 94 Cb 0.04 -0.89 0.00 0.00 0.05 0.00 0.00 34.50 33.70 3bit s PRO 94 CO 0.56 -0.69 0.00 1.63 0.05 0.00 0.00 177.00 178.55 3bit n LYS 97 N 5.34 1.04 -5.14 4.56 5.02 -1.26 -5.25 118.16 122.46 3bit n LYS 97 Ca -0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.93 3bit n LYS 97 Cb 0.49 -0.17 -0.15 0.00 -0.02 0.00 0.00 35.03 35.18 3bit n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bit s ILE 98 N -0.50 2.44 0.04 -0.18 1.01 -1.26 -4.31 121.20 118.44 3bit s ILE 98 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.74 3bit s ILE 98 Cb 0.00 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3bit s ILE 98 CO 0.00 0.58 -0.05 0.42 0.00 0.00 0.00 174.94 175.89 3bit s THR 99 N -0.57 3.76 -0.18 2.92 -4.23 -0.70 -4.73 115.64 111.91 3bit s THR 99 Ca 0.08 -0.89 -0.05 0.00 -1.18 0.00 0.00 61.69 59.65 3bit s THR 99 Cb -0.11 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 3bit s THR 99 CO 0.00 0.27 0.00 -0.22 -0.54 0.00 0.00 174.62 174.13 3bit s LEU 100 N -1.80 3.35 -0.06 4.79 1.98 -1.26 -1.48 118.68 124.19 3bit s LEU 100 Ca 0.20 -0.13 0.05 0.00 -2.89 0.00 0.00 54.13 51.36 3bit s LEU 100 Cb -0.11 -1.84 -0.01 0.00 0.66 0.00 0.00 46.19 44.89 3bit s LEU 100 CO 0.12 0.11 -0.22 -1.61 -1.89 0.00 0.00 176.35 172.86 3bit s GLU 101 N 0.71 2.62 -0.32 1.98 2.02 0.19 -4.84 118.70 121.06 3bit s GLU 101 Ca -0.00 -0.85 -0.06 0.00 0.02 0.00 0.00 54.97 54.08 3bit s GLU 101 Cb -0.14 -2.24 0.03 0.00 0.10 0.00 0.00 34.13 31.88 3bit s GLU 101 CO 0.02 0.40 0.07 -0.51 0.02 0.00 0.00 175.26 175.27 3bit s LEU 102 N -0.20 4.07 -0.26 1.80 1.02 -1.26 -1.01 118.68 122.84 3bit s LEU 102 Ca -0.02 -1.04 -0.14 0.00 0.02 0.00 0.00 54.13 52.95 3bit s LEU 102 Cb -0.13 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 3bit s LEU 102 CO 0.03 -0.27 0.31 0.26 0.02 0.00 0.00 176.35 176.70 3bit s TRP 103 N 1.40 3.27 -0.23 0.29 0.51 0.47 -4.99 118.94 119.66 3bit s TRP 103 Ca -0.01 0.35 -0.22 0.00 -2.12 0.00 0.00 56.10 54.10 3bit s TRP 103 Cb -0.19 -2.48 -0.02 0.00 -0.81 0.00 0.00 33.47 29.98 3bit s TRP 103 CO 0.02 -0.13 0.71 -0.65 -0.51 0.00 0.00 176.95 176.39 3bit s GLN 104 N 1.73 4.17 0.24 4.98 -0.21 -1.26 -2.09 119.66 127.21 3bit s GLN 104 Ca 0.13 0.73 -0.15 0.00 0.02 0.00 0.00 55.36 56.10 3bit s GLN 104 Cb -0.15 -3.62 -0.08 0.00 1.00 0.00 0.00 33.01 30.15 3bit s GLN 104 CO 0.09 -0.40 0.65 1.03 -2.12 0.00 0.00 175.29 174.54 3bit s ARG 105 N 2.44 4.01 0.00 2.91 0.52 -0.72 -4.95 118.95 123.15 3bit s ARG 105 Ca 0.31 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 3bit s ARG 105 Cb -0.16 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.61 3bit s ARG 105 CO 0.09 0.32 0.00 0.09 0.02 0.00 0.00 175.30 175.82 3bit n ASN 106 N 0.21 0.00 -3.04 0.23 3.02 -1.26 -3.56 115.26 110.86 3bit n ASN 106 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.41 3bit n ASN 106 Cb 0.52 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.71 3bit n ASN 106 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3bit n GLU 109 N 0.00 -2.12 0.05 3.52 -0.58 -1.26 -5.07 120.64 115.18 3bit n GLU 109 Ca 0.00 1.86 -0.13 0.00 -0.42 0.00 0.00 57.16 58.47 3bit n GLU 109 Cb 0.00 -4.92 -0.14 0.00 -0.57 0.00 0.00 31.44 25.82 3bit n GLU 109 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3bit h PRO 110 N 1.70 0.14 -0.62 3.49 0.13 -2.03 0.35 132.00 135.16 3bit h PRO 110 Ca -0.13 -0.25 0.11 0.00 -0.87 0.00 0.00 66.00 64.87 3bit h PRO 110 Cb 1.09 0.09 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 3bit h PRO 110 CO 0.23 0.98 -0.31 0.93 -0.23 0.00 0.00 178.00 179.60 3bit h GLU 111 N 0.04 -0.13 -0.22 0.86 3.07 -2.03 0.40 114.58 116.58 3bit h GLU 111 Ca -0.18 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.74 3bit h GLU 111 Cb 1.95 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 29.82 3bit h GLU 111 CO 0.14 -0.08 -0.33 1.25 -1.40 0.00 0.00 179.01 178.59 3bit h LEU 112 N -0.13 -1.05 -0.43 1.33 5.85 -1.81 -0.75 115.31 118.31 3bit h LEU 112 Ca 0.25 0.16 0.06 0.00 0.84 0.00 0.00 57.88 59.20 3bit h LEU 112 Cb 0.55 0.46 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 3bit h LEU 112 CO -0.70 -0.35 0.11 0.78 -0.34 0.00 0.00 178.44 177.94 3bit h ASN 113 N -0.36 0.05 -0.35 1.25 -0.26 0.44 -1.23 115.58 115.13 3bit h ASN 113 Ca 0.12 0.07 -0.14 0.00 -0.56 0.00 0.00 56.30 55.78 3bit h ASN 113 Cb 0.55 0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.88 3bit h ASN 113 CO -0.42 0.06 -0.31 0.50 -1.06 0.00 0.00 177.43 176.21 3bit h LYS 114 N 0.25 0.88 -0.96 0.81 3.64 -0.86 -3.02 116.57 117.31 3bit h LYS 114 Ca 0.21 -0.41 0.14 0.00 -1.27 0.00 0.00 60.65 59.32 3bit h LYS 114 Cb 0.24 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.96 3bit h LYS 114 CO -0.26 1.06 0.58 -0.22 -2.27 0.00 0.00 179.45 178.34 3bit h LYS 115 N 0.74 0.82 -0.53 1.90 1.63 -0.22 -1.74 116.57 119.18 3bit h LYS 115 Ca 0.08 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.79 3bit h LYS 115 Cb 0.87 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.29 3bit h LYS 115 CO 0.08 0.54 0.18 -0.07 -3.45 0.00 0.00 179.45 176.73 3bit h LEU 116 N 0.84 0.75 -0.29 5.20 3.38 -1.13 0.19 115.31 124.26 3bit h LEU 116 Ca 0.51 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.32 3bit h LEU 116 Cb 0.63 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3bit h LEU 116 CO -0.32 0.74 0.07 -0.26 0.09 0.00 0.00 178.44 178.77 3bit h PHE 117 N 0.72 0.12 -0.88 1.13 0.05 -1.38 -0.43 116.94 116.28 3bit h PHE 117 Ca 0.17 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.97 3bit h PHE 117 Cb 0.25 -0.01 -0.04 0.00 2.00 0.00 0.00 35.95 38.14 3bit h PHE 117 CO 0.01 0.04 0.53 -0.44 -0.18 0.00 0.00 178.31 178.27 3bit h ASP 118 N 0.18 1.05 -0.10 2.17 3.32 -1.01 -2.24 116.42 119.79 3bit h ASP 118 Ca 0.13 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3bit h ASP 118 Cb 0.12 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3bit h ASP 118 CO -0.16 0.81 -0.01 0.44 -1.72 0.00 0.00 179.24 178.60 3bit h ASP 119 N 1.21 0.19 -0.42 6.45 3.45 -0.26 -1.68 116.42 125.36 3bit h ASP 119 Ca 0.31 -0.33 -0.05 0.00 0.43 0.00 0.00 57.03 57.40 3bit h ASP 119 Cb -0.05 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 3bit h ASP 119 CO -0.06 0.48 0.11 1.62 -1.57 0.00 0.00 179.24 179.82 3bit h VAL 120 N -0.10 1.21 -0.26 -1.35 3.04 -1.05 -1.61 116.25 116.12 3bit h VAL 120 Ca 0.03 -0.76 -0.08 0.00 -1.01 0.00 0.00 66.70 64.88 3bit h VAL 120 Cb 0.39 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 3bit h VAL 120 CO 0.01 0.28 -0.19 0.40 -1.01 0.00 0.00 177.57 177.06 3bit h ILE 121 N 0.71 1.25 -0.50 3.17 2.04 -1.34 -0.39 117.51 122.45 3bit h ILE 121 Ca 0.16 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 3bit h ILE 121 Cb 0.27 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3bit h ILE 121 CO -0.00 0.37 0.17 0.00 0.00 0.00 0.00 178.15 178.68 3bit h ALA 122 N 1.37 0.65 -0.59 1.87 0.00 -0.81 -0.39 119.26 121.36 3bit h ALA 122 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3bit h ALA 122 Cb 0.58 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3bit h ALA 122 CO 0.04 0.29 0.26 -0.07 0.00 0.00 0.00 179.25 179.77 3bit h LEU 123 N 0.66 0.79 -0.27 0.00 3.38 -0.55 0.17 115.31 119.50 3bit h LEU 123 Ca 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3bit h LEU 123 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3bit h LEU 123 CO -0.01 0.71 0.17 0.40 0.09 0.00 0.00 178.44 179.81 3bit h ILE 124 N 0.81 1.06 -0.57 1.22 2.04 -0.94 -2.28 117.51 118.84 3bit h ILE 124 Ca 0.20 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3bit h ILE 124 Cb 0.15 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3bit h ILE 124 CO -0.02 0.06 0.37 -1.13 0.00 0.00 0.00 178.15 177.44 3bit h ASN 125 N 0.35 0.64 -1.02 1.72 -1.24 -0.76 -1.45 115.58 113.83 3bit h ASN 125 Ca 0.10 -0.01 0.26 0.00 0.71 0.00 0.00 56.30 57.36 3bit h ASN 125 Cb -0.03 -0.16 -0.12 0.00 0.73 0.00 0.00 38.32 38.74 3bit h ASN 125 CO -0.03 0.46 0.61 0.28 -1.29 0.00 0.00 177.43 177.46 3bit h SER 126 N 0.76 0.61 -0.13 1.15 0.02 -0.70 -2.65 113.55 112.61 3bit h SER 126 Ca 0.21 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 3bit h SER 126 Cb -0.07 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 3bit h SER 126 CO -0.06 0.06 -0.05 0.00 -1.14 0.00 0.00 176.83 175.64 3bit h ALA 127 N 1.73 0.18 0.00 3.77 0.00 -0.70 -3.50 119.26 120.75 3bit h ALA 127 Ca 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3bit h ALA 127 Cb 1.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3bit h ALA 127 CO -0.47 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.15 3bit n GLY 128 N -0.04 -1.74 0.05 0.00 0.00 -1.00 -4.95 105.19 97.50 3bit n GLY 128 Ca -0.06 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.87 3bit n GLY 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bit n LYS 129 N -0.24 0.30 -3.25 1.61 4.76 -1.26 -4.40 118.16 115.67 3bit n LYS 129 Ca 0.00 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 3bit n LYS 129 Cb 0.00 -1.64 -0.08 0.00 -1.84 0.00 0.00 35.03 31.48 3bit n LYS 129 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3bit s THR 130 N -3.19 5.02 -0.21 -0.18 2.01 -1.26 0.39 115.64 118.22 3bit s THR 130 Ca 0.05 0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 3bit s THR 130 Cb 0.14 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 3bit s THR 130 CO 0.77 -0.20 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.77 3bit s VAL 131 N 2.37 3.52 -0.22 3.82 1.01 -0.23 -0.87 120.40 129.80 3bit s VAL 131 Ca 0.18 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 3bit s VAL 131 Cb -0.15 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3bit s VAL 131 CO 0.13 0.43 0.41 -0.83 0.00 0.00 0.00 175.10 175.24 3bit s GLY 132 N 1.31 2.03 0.11 4.51 0.00 -0.64 -0.79 107.32 113.84 3bit s GLY 132 Ca 0.04 -0.58 0.04 0.00 0.00 0.00 0.00 44.72 44.22 3bit s GLY 132 CO -0.01 0.90 -0.11 -0.26 0.00 0.00 0.00 173.10 173.62 3bit s ILE 133 N 1.56 1.02 -0.58 0.90 -4.36 -0.38 -1.65 121.20 117.72 3bit s ILE 133 Ca 0.19 -1.71 -0.28 0.00 -0.26 0.00 0.00 60.65 58.59 3bit s ILE 133 Cb -0.15 -1.46 0.01 0.00 1.25 0.00 0.00 42.46 42.12 3bit s ILE 133 CO 0.08 -0.57 1.41 -2.16 0.24 0.00 0.00 174.94 173.95 3bit s PRO 134 N -2.92 3.28 0.47 0.37 0.05 -1.26 -1.72 135.00 133.27 3bit s PRO 134 Ca 0.08 0.40 0.28 0.00 0.05 0.00 0.00 61.00 61.81 3bit s PRO 134 Cb -0.02 -4.13 0.89 0.00 0.05 0.00 0.00 34.50 31.28 3bit s PRO 134 CO 0.00 -1.97 1.80 0.93 0.05 0.00 0.00 177.00 177.82 3bit h GLU 135 N 11.06 0.00 -0.00 4.56 5.08 -1.94 -2.93 114.58 130.41 3bit h GLU 135 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3bit h GLU 135 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3bit h GLU 135 CO 1.19 0.00 -0.20 1.63 -1.00 0.00 0.00 179.01 180.62 3bit n LYS 136 N -3.01 0.66 -2.64 2.33 4.01 -1.26 -4.93 118.16 113.32 3bit n LYS 136 Ca 0.02 -0.31 -0.38 0.00 -0.51 0.00 0.00 58.31 57.13 3bit n LYS 136 Cb 0.40 -1.49 -0.05 0.00 -0.51 0.00 0.00 35.03 33.38 3bit n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3bit s ASP 137 N -2.56 7.20 -0.16 4.39 -0.00 -1.11 -5.05 116.67 119.39 3bit s ASP 137 Ca 0.25 2.01 -0.04 0.00 -0.00 0.00 0.00 52.55 54.77 3bit s ASP 137 Cb 0.19 -2.60 0.07 0.00 -0.00 0.00 0.00 42.92 40.59 3bit s ASP 137 CO 0.52 -0.18 0.18 -0.55 -0.00 0.00 0.00 175.17 175.14 3bit s SER 138 N -1.37 1.32 0.17 0.27 0.15 -1.26 -5.09 113.70 107.89 3bit s SER 138 Ca 0.50 -0.09 0.10 0.00 0.70 0.00 0.00 55.95 57.16 3bit s SER 138 Cb -0.24 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 3bit s SER 138 CO 0.30 -0.30 -0.22 -0.31 1.20 0.00 0.00 173.24 173.91 3bit s TYR 139 N 2.28 2.06 0.46 3.44 1.51 -1.26 -5.05 117.35 120.79 3bit s TYR 139 Ca 0.05 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 3bit s TYR 139 Cb -0.14 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.66 3bit s TYR 139 CO -0.09 0.39 0.01 1.04 -1.11 0.00 0.00 175.55 175.78 3bit n GLN 140 N 0.44 0.88 0.00 -0.62 3.00 -1.26 -4.88 117.38 114.94 3bit n GLN 140 Ca -0.14 -3.33 0.00 0.00 -0.01 0.00 0.00 57.00 53.52 3bit n GLN 140 Cb 0.56 0.92 0.00 0.00 0.00 0.00 0.00 30.24 31.72 3bit n GLN 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bit n GLY 141 N -0.47 1.35 0.33 1.08 0.00 -1.26 -0.87 105.19 105.35 3bit n GLY 141 Ca -0.19 -2.19 -0.05 0.00 0.00 0.00 0.00 46.02 43.60 3bit n GLY 141 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3bit h LYS 142 N 0.00 1.13 -0.01 1.61 3.64 -2.00 -2.91 116.57 118.04 3bit h LYS 142 Ca 0.00 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3bit h LYS 142 Cb 0.00 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3bit h LYS 142 CO 0.00 0.85 0.00 0.34 -2.27 0.00 0.00 179.45 178.37 3bit n PHE 143 N -4.39 0.00 0.00 1.91 7.35 -1.26 -2.88 117.46 118.19 3bit n PHE 143 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 3bit n PHE 143 Cb 0.11 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.94 3bit n PHE 143 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3bit n THR 145 N 0.44 0.00 0.08 -2.13 -2.24 -1.10 -1.76 114.28 107.58 3bit n THR 145 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 3bit n THR 145 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 3bit n THR 145 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3bit h GLU 146 N 0.00 0.41 0.04 -0.78 5.08 -1.83 -3.39 114.58 114.12 3bit h GLU 146 Ca 0.00 -0.71 -0.00 0.00 -1.00 0.00 0.00 59.36 57.65 3bit h GLU 146 Cb 0.00 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3bit h GLU 146 CO 0.00 1.33 -0.02 2.35 -1.00 0.00 0.00 179.01 181.67 3bit h TRP 147 N 0.11 -0.05 -0.16 4.33 2.91 -1.63 -3.35 115.95 118.11 3bit h TRP 147 Ca -0.33 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 59.74 3bit h TRP 147 Cb 2.11 0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 30.72 3bit h TRP 147 CO 0.10 0.38 -0.23 -0.91 -1.03 0.00 0.00 178.44 176.75 3bit h ASN 148 N -0.49 -0.71 0.03 2.65 -0.26 -1.84 0.22 115.58 115.18 3bit h ASN 148 Ca -0.01 0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.82 3bit h ASN 148 Cb 0.45 0.32 -0.01 0.00 -1.06 0.00 0.00 38.32 38.02 3bit h ASN 148 CO 0.01 -0.27 -0.10 1.55 -1.06 0.00 0.00 177.43 177.56 3bit h PRO 149 N -0.27 0.16 -0.12 0.81 0.13 -1.78 -0.29 132.00 130.63 3bit h PRO 149 Ca 0.11 -0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 65.00 3bit h PRO 149 Cb 0.44 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.55 3bit h PRO 149 CO -0.32 0.27 -0.73 0.28 -0.23 0.00 0.00 178.00 177.27 3bit h VAL 150 N 0.15 1.30 0.15 1.56 2.07 -1.44 -1.56 116.25 118.49 3bit h VAL 150 Ca 0.03 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 3bit h VAL 150 Cb 0.27 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3bit h VAL 150 CO 0.02 0.61 -0.07 -0.25 0.02 0.00 0.00 177.57 177.89 3bit h TRP 151 N 0.40 -0.19 -0.59 1.57 -0.00 -0.82 -2.32 115.95 113.99 3bit h TRP 151 Ca -0.06 -0.00 0.12 0.00 -0.00 0.00 0.00 58.89 58.95 3bit h TRP 151 Cb 1.37 0.06 -0.09 0.00 -0.00 0.00 0.00 29.16 30.50 3bit h TRP 151 CO 0.10 0.12 0.07 0.93 -0.00 0.00 0.00 178.44 179.65 3bit h GLU 152 N -0.50 0.18 -0.70 2.65 5.08 -1.10 0.28 114.58 120.48 3bit h GLU 152 Ca -0.02 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3bit h GLU 152 Cb 0.39 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3bit h GLU 152 CO 0.03 0.12 0.44 0.00 -1.00 0.00 0.00 179.01 178.61 3bit h ALA 153 N 1.51 0.91 -0.57 3.43 0.00 -1.31 -2.89 119.26 120.33 3bit h ALA 153 Ca 0.31 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3bit h ALA 153 Cb 0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3bit h ALA 153 CO -0.45 0.23 0.09 0.00 0.00 0.00 0.00 179.25 179.12 3bit h ALA 154 N 1.29 0.76 -0.68 0.00 0.00 -0.61 -0.71 119.26 119.32 3bit h ALA 154 Ca 0.28 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3bit h ALA 154 Cb -0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 3bit h ALA 154 CO -0.10 0.51 0.36 0.28 0.00 0.00 0.00 179.25 180.31 3bit h VAL 155 N 0.85 0.93 -0.03 0.00 2.07 -0.89 0.27 116.25 119.45 3bit h VAL 155 Ca 0.17 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3bit h VAL 155 Cb 0.43 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3bit h VAL 155 CO 0.01 0.12 -0.03 0.11 0.02 0.00 0.00 177.57 177.80 3bit h LYS 156 N 0.65 0.07 -0.31 1.57 1.57 -1.35 -1.87 116.57 116.91 3bit h LYS 156 Ca 0.31 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3bit h LYS 156 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3bit h LYS 156 CO -0.21 0.55 -0.21 1.49 -0.57 0.00 0.00 179.45 180.49 3bit h GLU 157 N -0.39 0.69 -0.00 3.15 4.57 -1.03 -3.14 114.58 118.43 3bit h GLU 157 Ca 0.00 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3bit h GLU 157 Cb 0.53 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3bit h GLU 157 CO 0.01 0.93 -0.31 0.09 -1.18 0.00 0.00 179.01 178.55 3bit n ASN 158 N -4.32 0.51 -3.58 1.04 3.02 0.95 -4.95 115.26 107.94 3bit n ASN 158 Ca -0.03 -0.30 -0.21 0.00 -0.03 0.00 0.00 54.58 54.00 3bit n ASN 158 Cb 0.42 0.05 0.07 0.00 -0.61 0.00 0.00 39.78 39.72 3bit n ASN 158 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3bit n GLU 159 N -1.25 -6.65 -2.15 3.52 1.02 -0.76 -4.94 120.64 109.43 3bit n GLU 159 Ca 0.08 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.59 3bit n GLU 159 Cb 0.33 -5.72 -0.03 0.00 -0.02 0.00 0.00 31.44 26.00 3bit n GLU 159 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3bit s PHE 160 N -3.39 3.18 -0.71 -0.32 2.99 -0.87 -4.94 117.98 113.91 3bit s PHE 160 Ca 0.25 1.16 -0.21 0.00 0.00 0.00 0.00 56.93 58.14 3bit s PHE 160 Cb -0.12 -3.67 0.10 0.00 0.00 0.00 0.00 43.02 39.33 3bit s PHE 160 CO 0.75 -2.12 0.94 1.21 -0.00 0.00 0.00 175.22 176.01 3bit s ASN 161 N 0.33 6.30 -0.24 1.36 3.04 0.16 -4.95 114.94 120.94 3bit s ASN 161 Ca 0.57 -1.38 -0.16 0.00 0.04 0.00 0.00 52.86 51.94 3bit s ASN 161 Cb -0.38 -2.38 -0.04 0.00 -1.54 0.00 0.00 41.25 36.91 3bit s ASN 161 CO 0.40 -1.26 0.41 -0.69 -3.04 0.00 0.00 177.10 172.92 3bit s VAL 162 N 3.36 5.16 0.20 -5.21 1.01 -1.26 -1.07 120.40 122.59 3bit s VAL 162 Ca 0.22 0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.98 3bit s VAL 162 Cb -0.15 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 3bit s VAL 162 CO 0.04 0.18 -0.16 0.27 0.00 0.00 0.00 175.10 175.43 3bit s ILE 163 N 1.83 1.84 0.30 2.22 -4.36 0.03 -4.96 121.20 118.09 3bit s ILE 163 Ca 0.18 -2.14 -0.28 0.00 -0.26 0.00 0.00 60.65 58.15 3bit s ILE 163 Cb -0.15 -2.00 -0.09 0.00 1.25 0.00 0.00 42.46 41.46 3bit s ILE 163 CO 0.09 -0.49 1.04 -0.62 0.24 0.00 0.00 174.94 175.20 3bit s ASP 164 N -3.13 7.26 0.00 4.36 2.15 -1.26 -1.24 116.67 124.81 3bit s ASP 164 Ca 0.21 2.12 0.00 0.00 0.43 0.00 0.00 52.55 55.31 3bit s ASP 164 Cb -0.03 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3bit s ASP 164 CO 0.08 -0.13 0.88 2.30 -0.17 0.00 0.00 175.17 178.13 3bit n ILE 165 N 0.96 0.78 -0.26 4.11 -5.35 -0.70 -4.81 119.36 114.09 3bit n ILE 165 Ca 0.00 -0.85 0.05 0.00 -0.27 0.00 0.00 62.75 61.68 3bit n ILE 165 Cb 0.47 0.62 0.18 0.00 -1.74 0.00 0.00 39.64 39.17 3bit n ILE 165 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3bit h SER 166 N 0.00 0.37 -0.13 7.28 0.02 -1.93 -0.64 113.55 118.51 3bit h SER 166 Ca 0.00 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3bit h SER 166 Cb 0.46 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 3bit h SER 166 CO 0.00 0.16 0.00 0.25 -1.14 0.00 0.00 176.83 176.10 3bit h LEU 167 N 0.51 0.23 -0.39 5.07 5.85 -1.99 -0.30 115.31 124.29 3bit h LEU 167 Ca 0.41 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.91 3bit h LEU 167 Cb 0.58 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.46 3bit h LEU 167 CO -0.37 0.48 -0.25 1.23 -0.34 0.00 0.00 178.44 179.20 3bit h GLY 168 N -0.03 -0.05 1.00 3.75 0.00 -1.80 -1.15 103.07 104.80 3bit h GLY 168 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3bit h GLY 168 CO 0.01 -0.21 0.29 1.41 0.00 0.00 0.00 176.54 178.04 3bit h LEU 169 N -0.18 0.50 -0.85 3.11 3.38 -1.06 -0.59 115.31 119.61 3bit h LEU 169 Ca 0.19 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.32 3bit h LEU 169 Cb 0.48 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.00 3bit h LEU 169 CO -0.50 0.36 0.40 -1.28 0.09 0.00 0.00 178.44 177.52 3bit h SER 170 N 0.59 0.41 -0.06 -0.43 0.87 -0.64 -2.39 113.55 111.90 3bit h SER 170 Ca 0.16 0.12 -0.20 0.00 -1.23 0.00 0.00 61.79 60.64 3bit h SER 170 Cb -0.07 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3bit h SER 170 CO -0.04 0.12 -0.70 0.11 -0.53 0.00 0.00 176.83 175.79 3bit h LYS 171 N 0.51 0.69 -0.07 2.24 1.57 -0.45 -2.62 116.57 118.45 3bit h LYS 171 Ca 0.49 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3bit h LYS 171 Cb 0.81 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3bit h LYS 171 CO -0.43 1.14 0.04 0.28 -0.57 0.00 0.00 179.45 179.91 3bit h VAL 172 N 0.49 1.03 -0.48 0.50 2.07 -0.64 -3.05 116.25 116.17 3bit h VAL 172 Ca -0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3bit h VAL 172 Cb 1.30 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3bit h VAL 172 CO 0.14 0.03 0.00 -2.67 0.02 0.00 0.00 177.57 175.08 3bit n TRP 173 N -5.04 0.63 0.09 1.57 2.14 -1.03 -4.55 117.44 111.25 3bit n TRP 173 Ca -0.06 -0.32 -0.12 0.00 2.07 0.00 0.00 57.50 59.08 3bit n TRP 173 Cb 0.04 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.48 3bit n TRP 173 CO 0.00 0.00 0.00 1.49 2.07 0.00 0.00 177.69 181.25 3bit h GLU 174 N 3.70 -0.40 -6.32 -2.67 4.81 -1.35 -3.41 114.58 108.95 3bit h GLU 174 Ca 0.00 0.03 -0.55 0.00 -0.13 0.00 0.00 59.36 58.71 3bit h GLU 174 Cb 0.83 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 3bit h GLU 174 CO 0.00 -0.26 0.65 0.08 -0.73 0.00 0.00 179.01 178.75 3bit s VAL 175 N -6.07 4.36 -0.07 0.32 1.01 -1.26 -4.63 120.40 114.05 3bit s VAL 175 Ca -0.15 1.68 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 3bit s VAL 175 Cb 0.08 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3bit s VAL 175 CO 0.66 0.01 0.73 -0.54 0.00 0.00 0.00 175.10 175.96 3bit s LYS 176 N 2.05 4.43 1.01 2.72 -0.14 -0.49 -4.97 119.74 124.36 3bit s LYS 176 Ca 0.54 0.92 -0.16 0.00 -1.36 0.00 0.00 55.97 55.92 3bit s LYS 176 Cb -0.24 -3.46 0.20 0.00 -1.68 0.00 0.00 37.83 32.66 3bit s LYS 176 CO 0.22 0.02 1.19 0.16 -0.76 0.00 0.00 175.35 176.18 3bit s ASP 177 N 0.85 2.62 0.32 2.83 1.47 -1.26 -4.71 116.67 118.79 3bit s ASP 177 Ca 0.38 0.63 0.00 0.00 1.18 0.00 0.00 52.55 54.74 3bit s ASP 177 Cb -0.18 -0.92 0.54 0.00 -0.34 0.00 0.00 42.92 42.02 3bit s ASP 177 CO 0.18 -3.07 1.98 -0.37 0.68 0.00 0.00 175.17 174.57 3bit h VAL 178 N -1.86 1.19 -0.36 2.11 -1.51 -1.99 -0.92 116.25 112.90 3bit h VAL 178 Ca -0.47 -0.38 -0.11 0.00 -1.23 0.00 0.00 66.70 64.52 3bit h VAL 178 Cb 1.29 0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 3bit h VAL 178 CO 0.46 0.19 -0.19 0.78 -1.23 0.00 0.00 177.57 177.58 3bit h ASN 179 N 0.96 0.79 -0.92 4.19 2.35 -2.00 -2.36 115.58 118.58 3bit h ASN 179 Ca 0.25 -0.41 0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3bit h ASN 179 Cb -0.07 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.03 3bit h ASN 179 CO -0.05 1.03 0.61 -0.33 -1.65 0.00 0.00 177.43 177.04 3bit h GLU 180 N 0.55 1.21 -0.95 0.81 5.08 -1.79 -1.07 114.58 118.41 3bit h GLU 180 Ca 0.08 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3bit h GLU 180 Cb 0.74 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3bit h GLU 180 CO 0.06 0.80 0.62 1.96 -1.00 0.00 0.00 179.01 181.45 3bit h GLN 181 N 1.24 1.25 -0.41 2.33 4.20 -1.11 -1.12 115.11 121.49 3bit h GLN 181 Ca 0.34 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 3bit h GLN 181 Cb -0.13 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.35 3bit h GLN 181 CO -0.08 0.83 0.12 0.00 -0.67 0.00 0.00 178.83 179.03 3bit h ALA 182 N 1.34 0.54 -0.79 3.87 0.00 -0.82 -1.64 119.26 121.76 3bit h ALA 182 Ca 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3bit h ALA 182 Cb -0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3bit h ALA 182 CO -0.07 0.19 0.45 0.74 0.00 0.00 0.00 179.25 180.55 3bit h PHE 183 N 0.52 1.08 -1.00 0.00 0.05 -0.92 -0.15 116.94 116.52 3bit h PHE 183 Ca 0.13 -0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.92 3bit h PHE 183 Cb 0.27 -0.35 -0.05 0.00 2.00 0.00 0.00 35.95 37.82 3bit h PHE 183 CO 0.01 0.74 0.66 -0.07 -0.18 0.00 0.00 178.31 179.48 3bit h LEU 184 N 1.09 1.12 -0.62 1.54 3.38 -1.14 0.14 115.31 120.83 3bit h LEU 184 Ca 0.28 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 3bit h LEU 184 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3bit h LEU 184 CO -0.05 0.79 0.11 0.77 0.09 0.00 0.00 178.44 180.16 3bit h SER 185 N 1.31 0.98 0.15 -0.43 4.64 -0.26 -0.85 113.55 119.09 3bit h SER 185 Ca 0.38 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 3bit h SER 185 Cb -0.08 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.75 3bit h SER 185 CO -0.10 0.98 -0.07 0.58 -0.87 0.00 0.00 176.83 177.35 3bit h VAL 186 N 0.94 0.88 -0.37 0.95 2.07 -0.66 -0.15 116.25 119.90 3bit h VAL 186 Ca 0.19 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.66 3bit h VAL 186 Cb 0.41 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 3bit h VAL 186 CO 0.01 0.03 -0.23 -1.28 0.02 0.00 0.00 177.57 176.12 3bit h SER 187 N -0.27 -0.78 -0.36 0.57 0.87 -0.87 -1.13 113.55 111.59 3bit h SER 187 Ca -0.02 0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 3bit h SER 187 Cb 0.21 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3bit h SER 187 CO 0.03 -0.26 0.02 0.28 -0.53 0.00 0.00 176.83 176.37 3bit h SER 188 N -0.18 0.68 -0.36 6.23 0.02 -0.99 -0.65 113.55 118.30 3bit h SER 188 Ca 0.18 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 3bit h SER 188 Cb 0.46 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3bit h SER 188 CO -0.47 0.74 -0.05 0.50 -1.14 0.00 0.00 176.83 176.40 3bit h LYS 189 N 0.68 0.76 0.15 3.45 1.63 -0.58 -1.18 116.57 121.48 3bit h LYS 189 Ca 0.14 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.73 3bit h LYS 189 Cb 0.39 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 3bit h LYS 189 CO 0.01 0.81 -0.27 0.78 -3.45 0.00 0.00 179.45 177.34 3bit h GLY 190 N 0.97 -0.52 -0.04 5.01 0.00 -0.54 -1.76 103.07 106.20 3bit h GLY 190 Ca 0.13 0.31 0.16 0.00 0.00 0.00 0.00 47.33 47.93 3bit h GLY 190 CO 0.03 -0.23 0.19 1.76 0.00 0.00 0.00 176.54 178.29 3bit h SER 191 N -0.49 0.04 -0.48 0.19 0.02 -0.81 -0.50 113.55 111.51 3bit h SER 191 Ca 0.02 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3bit h SER 191 Cb 0.51 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 3bit h SER 191 CO -0.13 -0.02 0.26 0.44 -1.14 0.00 0.00 176.83 176.23 3bit h ASP 192 N 0.28 0.40 -0.50 3.07 3.32 -0.88 -2.78 116.42 119.32 3bit h ASP 192 Ca 0.41 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.44 3bit h ASP 192 Cb 0.69 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3bit h ASP 192 CO -0.49 0.28 0.16 0.11 -1.72 0.00 0.00 179.24 177.58 3bit h LYS 193 N 0.52 0.78 -1.74 3.56 1.79 -0.51 -0.49 116.57 120.47 3bit h LYS 193 Ca 0.20 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3bit h LYS 193 Cb 0.07 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 3bit h LYS 193 CO -0.12 0.73 0.00 1.19 -1.08 0.00 0.00 179.45 180.17 3bit n PHE 194 N -4.50 0.00 0.00 -1.35 3.01 -0.27 -1.96 117.46 112.38 3bit n PHE 194 Ca 0.02 -0.36 0.00 0.00 1.01 0.00 0.00 57.45 58.11 3bit n PHE 194 Cb 0.19 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 3bit n PHE 194 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3bit n ASP 196 N 1.23 0.00 -0.03 4.37 4.64 -0.19 -0.86 116.55 125.70 3bit n ASP 196 Ca 0.00 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.31 3bit n ASP 196 Cb 0.25 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.29 3bit n ASP 196 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 3bit h LEU 197 N 0.00 0.20 -0.19 -2.67 5.85 -1.67 -1.46 115.31 115.38 3bit h LEU 197 Ca 0.00 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3bit h LEU 197 Cb 0.00 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3bit h LEU 197 CO 0.00 0.16 -0.18 0.25 -0.34 0.00 0.00 178.44 178.33 3bit h LEU 198 N 0.23 -0.58 -0.65 2.25 6.46 -1.28 0.08 115.31 121.82 3bit h LEU 198 Ca 0.06 0.11 0.08 0.00 -0.12 0.00 0.00 57.88 58.01 3bit h LEU 198 Cb -0.01 0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.14 3bit h LEU 198 CO -0.01 -0.23 0.31 -1.28 -0.62 0.00 0.00 178.44 176.61 3bit h SER 199 N -0.20 0.41 -0.33 1.25 0.87 -1.80 -2.83 113.55 110.92 3bit h SER 199 Ca 0.12 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3bit h SER 199 Cb 0.38 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3bit h SER 199 CO -0.31 0.25 0.12 0.78 -0.53 0.00 0.00 176.83 177.14 3bit h ASN 200 N 0.56 0.47 0.00 6.23 2.35 -0.84 -0.71 115.58 123.64 3bit h ASN 200 Ca 0.31 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3bit h ASN 200 Cb 0.30 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3bit h ASN 200 CO -0.24 0.53 0.00 -0.62 -1.65 0.00 0.00 177.43 175.45 3bit n GLU 201 N -4.69 0.37 0.00 0.81 -0.58 -0.02 -1.75 120.64 114.78 3bit n GLU 201 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3bit n GLU 201 Cb 0.15 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 3bit n GLU 201 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3bit n VAL 203 N 0.62 0.00 -0.20 2.62 0.31 -0.27 -1.40 118.33 120.00 3bit n VAL 203 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3bit n VAL 203 Cb 0.15 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.13 3bit n VAL 203 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3bit h ARG 204 N 0.00 0.68 -0.60 5.55 2.43 -1.59 -0.21 114.38 120.64 3bit h ARG 204 Ca 0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 3bit h ARG 204 Cb 0.00 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3bit h ARG 204 CO 0.00 0.45 0.11 0.00 -1.51 0.00 0.00 179.97 179.02 3bit h ALA 205 N 1.26 0.80 -0.11 2.80 0.00 -1.50 0.13 119.26 122.63 3bit h ALA 205 Ca 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3bit h ALA 205 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3bit h ALA 205 CO -0.11 0.54 -0.05 0.28 0.00 0.00 0.00 179.25 179.92 3bit h VAL 206 N 0.89 1.31 -0.96 0.00 2.07 -1.81 -0.51 116.25 117.24 3bit h VAL 206 Ca 0.18 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.71 3bit h VAL 206 Cb 0.41 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 3bit h VAL 206 CO 0.01 0.30 0.62 -0.78 0.02 0.00 0.00 177.57 177.74 3bit h ASP 207 N -0.13 1.00 -0.25 0.57 3.58 -0.89 -2.07 116.42 118.25 3bit h ASP 207 Ca 0.02 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3bit h ASP 207 Cb 0.49 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3bit h ASP 207 CO 0.01 0.66 0.00 -0.62 -2.88 0.00 0.00 179.24 176.41 3bit n GLU 208 N -4.51 1.90 -3.86 0.28 1.02 0.42 -4.93 120.64 110.96 3bit n GLU 208 Ca 0.14 -1.36 -0.26 0.00 -0.02 0.00 0.00 57.16 55.66 3bit n GLU 208 Cb 0.15 -1.40 0.01 0.00 -0.02 0.00 0.00 31.44 30.19 3bit n GLU 208 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3bit n GLU 209 N 0.59 -4.53 -2.52 3.49 1.02 -0.78 -4.91 120.64 113.01 3bit n GLU 209 Ca 0.16 0.54 -0.41 0.00 -0.02 0.00 0.00 57.16 57.44 3bit n GLU 209 Cb 0.38 -5.09 -0.04 0.00 -0.02 0.00 0.00 31.44 26.67 3bit n GLU 209 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3bit s LEU 210 N -6.95 4.53 -0.49 -4.62 1.43 -0.24 -4.99 118.68 107.35 3bit s LEU 210 Ca 0.23 2.15 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 3bit s LEU 210 Cb -0.12 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.51 3bit s LEU 210 CO 0.85 -0.16 1.25 -0.75 0.23 0.00 0.00 176.35 177.77 3bit s LYS 211 N -0.84 3.60 -0.25 1.70 2.20 -1.26 -4.91 119.74 119.97 3bit s LYS 211 Ca 0.47 0.60 -0.21 0.00 -0.36 0.00 0.00 55.97 56.47 3bit s LYS 211 Cb -0.30 -3.98 0.07 0.00 -1.51 0.00 0.00 37.83 32.10 3bit s LYS 211 CO 0.37 -1.55 0.65 -1.50 -0.36 0.00 0.00 175.35 172.97 3bit s ILE 212 N 4.99 -0.00 0.51 5.43 2.07 -1.26 -5.10 121.20 127.84 3bit s ILE 212 Ca 0.51 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.72 3bit s ILE 212 Cb -0.09 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 3bit s ILE 212 CO 0.30 0.00 0.80 0.42 -1.91 0.00 0.00 174.94 174.55 3bit s THR 213 N 0.58 4.29 0.23 4.00 -4.23 -1.26 -0.60 115.64 118.65 3bit s THR 213 Ca -0.02 -0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.39 3bit s THR 213 Cb -0.05 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.32 3bit s THR 213 CO -0.03 -0.60 1.81 0.78 -0.54 0.00 0.00 174.62 176.03 3bit h ASN 214 N 0.13 0.59 -0.16 3.99 -0.26 -1.23 -1.32 115.58 117.32 3bit h ASN 214 Ca -0.46 0.04 -0.15 0.00 -0.56 0.00 0.00 56.30 55.17 3bit h ASN 214 Cb 1.23 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.41 3bit h ASN 214 CO 0.60 0.36 -0.41 0.00 -1.06 0.00 0.00 177.43 176.92 3bit h ALA 215 N 1.40 0.74 -0.63 -0.83 0.00 -1.22 -0.21 119.26 118.51 3bit h ALA 215 Ca 0.34 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3bit h ALA 215 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3bit h ALA 215 CO -0.22 0.66 0.17 0.87 0.00 0.00 0.00 179.25 180.73 3bit h LYS 216 N 0.57 1.00 -0.23 0.00 1.79 -1.73 0.10 116.57 118.07 3bit h LYS 216 Ca 0.04 -0.24 -0.04 0.00 -2.18 0.00 0.00 60.65 58.24 3bit h LYS 216 Cb 0.95 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 3bit h LYS 216 CO 0.09 0.90 -0.02 1.25 -1.08 0.00 0.00 179.45 180.59 3bit h LEU 217 N 0.93 0.42 -1.02 2.94 5.85 -1.09 -1.34 115.31 121.99 3bit h LEU 217 Ca 0.20 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 3bit h LEU 217 Cb 0.34 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3bit h LEU 217 CO -0.00 0.64 -0.36 0.77 -0.34 0.00 0.00 178.44 179.15 3bit h SER 218 N 0.18 0.24 -0.24 1.25 4.64 -0.98 -2.36 113.55 116.27 3bit h SER 218 Ca 0.06 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 3bit h SER 218 Cb 0.44 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3bit h SER 218 CO 0.02 0.59 -0.04 0.44 -0.87 0.00 0.00 176.83 176.96 3bit h ASP 219 N 0.20 0.56 -0.25 4.97 3.32 -0.67 -1.33 116.42 123.22 3bit h ASP 219 Ca 0.02 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3bit h ASP 219 Cb 0.74 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3bit h ASP 219 CO 0.06 0.66 0.14 0.50 -1.72 0.00 0.00 179.24 178.88 3bit h LYS 220 N 0.55 0.29 -0.10 3.56 3.64 -0.72 0.14 116.57 123.93 3bit h LYS 220 Ca 0.11 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3bit h LYS 220 Cb 0.42 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3bit h LYS 220 CO 0.02 0.19 0.02 0.82 -2.27 0.00 0.00 179.45 178.23 3bit h ILE 221 N 0.30 1.20 -0.82 2.00 1.08 -1.29 -2.87 117.51 117.10 3bit h ILE 221 Ca 0.10 -0.62 0.13 0.00 -0.39 0.00 0.00 64.86 64.08 3bit h ILE 221 Cb -0.00 1.42 -0.09 0.00 -3.07 0.00 0.00 36.82 35.09 3bit h ILE 221 CO -0.05 0.18 0.42 -0.08 -0.69 0.00 0.00 178.15 177.93 3bit h GLU 222 N -0.05 0.62 0.00 2.37 4.81 -0.96 -2.14 114.58 119.23 3bit h GLU 222 Ca 0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3bit h GLU 222 Cb 0.26 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3bit h GLU 222 CO 0.00 0.41 0.00 -0.91 -0.73 0.00 0.00 179.01 177.78 3bit h ASN 223 N 0.64 0.00 0.43 1.04 2.35 -0.82 -3.10 115.58 116.11 3bit h ASN 223 Ca 0.43 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.17 3bit h ASN 223 Cb 0.56 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 3bit h ASN 223 CO -0.33 0.00 -0.06 0.11 -1.65 0.00 0.00 177.43 175.50 3bit h LYS 224 N 0.00 0.00 -0.03 0.81 1.79 -1.17 -1.49 116.57 116.49 3bit h LYS 224 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3bit h LYS 224 Cb 0.66 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.31 3bit h LYS 224 CO 0.00 0.06 0.20 0.97 -1.08 0.00 0.00 179.45 179.59 3bit h ILE 225 N 0.00 0.06 0.00 1.86 2.10 -1.67 -1.02 117.51 118.84 3bit h ILE 225 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3bit h ILE 225 Cb 0.28 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 3bit h ILE 225 CO 0.01 0.00 -0.40 0.47 -1.08 0.00 0.00 178.15 177.14 3bit n ASP 226 N -3.08 0.41 -4.52 2.19 8.00 -0.56 -4.75 116.55 114.23 3bit n ASP 226 Ca -0.02 -0.09 -0.42 0.00 0.71 0.00 0.00 54.79 54.97 3bit n ASP 226 Cb 0.26 0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.42 3bit n ASP 226 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3bit s ASP 227 N -3.03 6.29 0.21 -2.24 -1.08 -0.39 -4.88 116.67 111.54 3bit s ASP 227 Ca 0.11 -0.46 -0.07 0.00 -0.52 0.00 0.00 52.55 51.62 3bit s ASP 227 Cb 0.18 -2.47 0.16 0.00 -1.46 0.00 0.00 42.92 39.33 3bit s ASP 227 CO 0.67 -1.41 1.72 0.58 0.52 0.00 0.00 175.17 177.24 3bit h VAL 228 N 6.03 1.26 -0.67 1.11 2.07 -1.86 -0.46 116.25 123.74 3bit h VAL 228 Ca -0.27 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 66.32 3bit h VAL 228 Cb 1.07 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3bit h VAL 228 CO 1.15 0.38 0.34 0.11 0.02 0.00 0.00 177.57 179.57 3bit h LYS 229 N 1.00 0.59 -0.42 1.57 1.79 -1.97 0.43 116.57 119.55 3bit h LYS 229 Ca 0.20 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 3bit h LYS 229 Cb 0.42 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 3bit h LYS 229 CO 0.01 0.39 0.21 0.35 -1.08 0.00 0.00 179.45 179.33 3bit h PHE 230 N 0.61 0.61 -0.53 -1.35 3.04 -1.68 -1.91 116.94 115.73 3bit h PHE 230 Ca 0.32 -0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.31 3bit h PHE 230 Cb 0.29 -0.19 -0.05 0.00 2.56 0.00 0.00 35.95 38.55 3bit h PHE 230 CO -0.10 0.49 0.22 -0.07 -2.02 0.00 0.00 178.31 176.83 3bit h LEU 231 N 0.55 0.27 -0.90 0.59 3.38 -0.46 -1.21 115.31 117.53 3bit h LEU 231 Ca 0.15 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3bit h LEU 231 Cb 0.11 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3bit h LEU 231 CO -0.02 0.19 0.59 0.11 0.09 0.00 0.00 178.44 179.40 3bit h LYS 232 N 0.43 1.15 -0.20 1.13 1.57 -0.75 -1.35 116.57 118.54 3bit h LYS 232 Ca 0.25 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3bit h LYS 232 Cb 0.23 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3bit h LYS 232 CO -0.22 0.76 0.00 1.96 -0.57 0.00 0.00 179.45 181.39 3bit h GLN 233 N 1.19 0.29 0.00 3.15 4.20 -0.53 -2.04 115.11 121.37 3bit h GLN 233 Ca 0.34 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 3bit h GLN 233 Cb -0.08 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3bit h GLN 233 CO -0.09 0.32 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.02 3bit h LEU 234 N 0.29 0.00 -0.43 1.46 3.38 -0.45 -3.40 115.31 116.15 3bit h LEU 234 Ca 0.07 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3bit h LEU 234 Cb 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 3bit h LEU 234 CO 0.00 0.30 -0.06 0.28 0.09 0.00 0.00 178.44 179.06 3bit h SER 235 N 0.00 -0.29 -0.33 -0.43 0.02 -0.51 -3.08 113.55 108.93 3bit h SER 235 Ca -0.00 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 3bit h SER 235 Cb 0.94 0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.63 3bit h SER 235 CO 0.04 -0.10 -0.28 -0.65 -1.14 0.00 0.00 176.83 174.69 3bit h PRO 236 N 0.05 -0.24 -0.06 3.45 0.11 -1.78 0.43 132.00 133.95 3bit h PRO 236 Ca 0.21 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.29 3bit h PRO 236 Cb 0.32 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3bit h PRO 236 CO -0.40 -0.16 -0.19 -0.44 -0.21 0.00 0.00 178.00 176.59 3bit h ASP 237 N -0.25 0.10 0.01 -2.05 3.32 -1.88 -1.54 116.42 114.13 3bit h ASP 237 Ca 0.16 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3bit h ASP 237 Cb 0.50 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.03 3bit h ASP 237 CO -0.47 0.30 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.03 3bit h LEU 238 N 0.10 0.20 -1.31 1.55 4.07 -1.26 -3.30 115.31 115.36 3bit h LEU 238 Ca 0.02 -0.83 -0.01 0.00 0.08 0.00 0.00 57.88 57.14 3bit h LEU 238 Cb 0.40 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 3bit h LEU 238 CO 0.03 1.01 0.30 0.77 -1.08 0.00 0.00 178.44 179.46 3bit h SER 239 N -0.57 0.69 -0.10 -0.43 4.64 -0.14 -1.93 113.55 115.70 3bit h SER 239 Ca -0.04 -0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.26 3bit h SER 239 Cb 1.06 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3bit h SER 239 CO 0.05 0.56 0.14 0.00 -0.87 0.00 0.00 176.83 176.71 3bit h ALA 240 N 1.55 1.60 -0.01 5.18 0.00 -1.37 -1.60 119.26 124.61 3bit h ALA 240 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3bit h ALA 240 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3bit h ALA 240 CO -0.03 -0.19 -0.50 1.28 0.00 0.00 0.00 179.25 179.81 3bit n LEU 241 N -3.66 1.84 -4.76 0.00 4.77 -0.75 -4.97 117.00 109.47 3bit n LEU 241 Ca -0.00 -0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 54.84 3bit n LEU 241 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3bit n LEU 241 CO 0.25 0.35 0.96 0.00 -1.33 0.00 0.00 177.39 177.63 3bit s PRO 243 N -1.49 3.04 0.29 0.00 0.04 -1.26 -4.92 135.00 130.70 3bit s PRO 243 Ca 0.50 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 3bit s PRO 243 Cb -0.39 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.02 3bit s PRO 243 CO 0.49 -1.05 0.88 -2.30 0.04 0.00 0.00 177.00 175.07 3bit n PRO 244 N -2.20 1.03 -0.85 0.56 -0.02 -1.26 -1.94 135.00 130.33 3bit n PRO 244 Ca 0.10 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3bit n PRO 244 Cb 0.52 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3bit n PRO 244 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3bit n ASN 245 N 1.35 -0.11 -3.86 2.55 3.02 -1.26 -4.93 115.26 112.02 3bit n ASN 245 Ca 0.11 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.38 3bit n ASN 245 Cb 0.31 -0.80 -0.13 0.00 -0.61 0.00 0.00 39.78 38.56 3bit n ASN 245 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3bit s TYR 246 N -3.02 3.09 0.40 3.10 1.51 -0.82 -5.11 117.35 116.51 3bit s TYR 246 Ca 0.00 -3.12 -0.26 0.00 -1.01 0.00 0.00 57.07 52.68 3bit s TYR 246 Cb 0.00 -2.53 -0.09 0.00 -0.11 0.00 0.00 41.96 39.24 3bit s TYR 246 CO 0.00 -0.65 1.33 0.21 -1.11 0.00 0.00 175.55 175.32 3bit s LYS 247 N -0.78 3.98 0.16 -0.62 2.20 -1.26 -4.34 119.74 119.07 3bit s LYS 247 Ca 0.22 2.21 -0.34 0.00 -0.36 0.00 0.00 55.97 57.70 3bit s LYS 247 Cb -0.13 -2.79 -0.15 0.00 -1.51 0.00 0.00 37.83 33.25 3bit s LYS 247 CO -0.10 -0.50 1.43 0.34 -0.36 0.00 0.00 175.35 176.16 3bit n PHE 248 N 0.17 1.92 -3.83 4.03 -0.00 -1.26 -4.99 117.46 113.51 3bit n PHE 248 Ca 0.03 0.45 -0.28 0.00 -0.00 0.00 0.00 57.45 57.66 3bit n PHE 248 Cb 0.43 -2.44 -0.16 0.00 -0.00 0.00 0.00 39.48 37.31 3bit n PHE 248 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3bit s ASN 249 N 0.56 2.89 0.60 -2.13 2.47 -1.26 -5.01 114.94 113.06 3bit s ASN 249 Ca 0.78 -0.74 0.40 0.00 0.42 0.00 0.00 52.86 53.71 3bit s ASN 249 Cb -0.77 -0.78 2.03 0.00 -1.45 0.00 0.00 41.25 40.28 3bit s ASN 249 CO 0.44 -0.24 2.21 2.19 -3.72 0.00 0.00 177.10 177.98 3bit h PHE 250 N 8.16 0.00 0.00 0.43 -0.00 -1.97 -0.45 116.94 123.12 3bit h PHE 250 Ca -0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.77 3bit h PHE 250 Cb 1.11 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.06 3bit h PHE 250 CO 0.40 0.00 -0.03 -0.44 -0.00 0.00 0.00 178.31 178.24 3bit h ASP 251 N 0.00 0.00 0.07 -0.68 3.45 -2.01 -2.60 116.42 114.65 3bit h ASP 251 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3bit h ASP 251 Cb 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3bit h ASP 251 CO 0.00 0.03 -0.03 0.18 -1.57 0.00 0.00 179.24 177.85 3bit n LEU 252 N -3.88 0.72 -4.76 1.55 4.32 -0.18 -4.82 117.00 109.96 3bit n LEU 252 Ca -0.03 -0.21 -0.40 0.00 -0.02 0.00 0.00 56.01 55.36 3bit n LEU 252 Cb 0.11 -0.04 -0.06 0.00 -1.62 0.00 0.00 43.42 41.82 3bit n LEU 252 CO 0.29 0.12 0.53 -0.76 -1.22 0.00 0.00 177.39 176.35 3bit s LEU 253 N -2.10 4.55 0.00 2.23 1.02 -0.98 -0.82 118.68 122.58 3bit s LEU 253 Ca 0.40 1.66 -0.08 0.00 0.02 0.00 0.00 54.13 56.13 3bit s LEU 253 Cb 0.21 -3.37 0.03 0.00 0.02 0.00 0.00 46.19 43.09 3bit s LEU 253 CO 0.38 0.11 0.63 -0.67 0.02 0.00 0.00 176.35 176.82 3bit n ASP 254 N 2.07 -1.79 -4.79 2.29 -0.08 0.11 -5.00 116.55 109.36 3bit n ASP 254 Ca -0.03 -2.69 -0.36 0.00 -1.51 0.00 0.00 54.79 50.20 3bit n ASP 254 Cb 0.49 3.11 -0.07 0.00 2.34 0.00 0.00 41.12 46.99 3bit n ASP 254 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 3bit s TRP 255 N -2.70 3.52 0.22 -0.67 0.52 -1.26 -0.20 118.94 118.38 3bit s TRP 255 Ca 0.22 0.52 -0.06 0.00 0.02 0.00 0.00 56.10 56.79 3bit s TRP 255 Cb -0.03 -2.13 0.19 0.00 -1.15 0.00 0.00 33.47 30.35 3bit s TRP 255 CO 0.16 0.47 1.76 1.15 0.02 0.00 0.00 176.95 180.51 3bit h THR 256 N 4.34 1.26 -2.74 2.01 2.02 -0.84 -3.44 112.91 115.51 3bit h THR 256 Ca -0.47 -0.89 0.11 0.00 0.77 0.00 0.00 66.41 65.93 3bit h THR 256 Cb 1.19 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 3bit h THR 256 CO 0.68 0.35 0.33 -0.72 0.37 0.00 0.00 175.52 176.53 3bit s TYR 257 N -5.37 -0.17 0.06 3.16 1.13 -1.25 -4.96 117.35 109.94 3bit s TYR 257 Ca -0.12 -0.22 -0.31 0.00 -1.41 0.00 0.00 57.07 55.01 3bit s TYR 257 Cb 0.15 0.68 -0.07 0.00 -1.10 0.00 0.00 41.96 41.62 3bit s TYR 257 CO 0.84 -1.07 1.45 -1.12 -2.51 0.00 0.00 175.55 173.14 3bit s SER 258 N -2.92 6.78 0.41 -0.18 0.01 -1.26 -4.62 113.70 111.92 3bit s SER 258 Ca 0.11 2.28 -0.24 0.00 1.31 0.00 0.00 55.95 59.41 3bit s SER 258 Cb -0.04 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.51 3bit s SER 258 CO 0.05 -0.73 1.02 -2.65 0.41 0.00 0.00 173.24 171.33 3bit n PRO 259 N 4.87 1.37 -4.66 12.44 -0.02 -1.26 -4.97 135.00 142.78 3bit n PRO 259 Ca 0.13 0.49 -0.24 0.00 -2.02 0.00 0.00 63.50 61.86 3bit n PRO 259 Cb 0.42 -2.04 -0.16 0.00 -0.02 0.00 0.00 33.50 31.70 3bit n PRO 259 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3bit s ILE 260 N -1.26 1.19 -0.07 4.25 2.07 -0.41 -4.72 121.20 122.24 3bit s ILE 260 Ca 0.63 -0.56 0.04 0.00 -1.41 0.00 0.00 60.65 59.34 3bit s ILE 260 Cb -0.56 -1.05 0.00 0.00 0.13 0.00 0.00 42.46 40.98 3bit s ILE 260 CO 0.57 0.36 -0.19 -0.63 -1.91 0.00 0.00 174.94 173.13 3bit s ILE 261 N 0.25 1.67 -0.01 2.00 1.01 -1.26 -0.73 121.20 124.13 3bit s ILE 261 Ca -0.07 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 59.84 3bit s ILE 261 Cb -0.12 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 3bit s ILE 261 CO 0.02 0.47 -0.21 -1.10 0.00 0.00 0.00 174.94 174.13 3bit s GLN 262 N 0.32 1.69 0.07 2.79 -0.21 0.05 -4.40 119.66 119.97 3bit s GLN 262 Ca -0.13 -0.77 -0.21 0.00 0.02 0.00 0.00 55.36 54.27 3bit s GLN 262 Cb -0.16 -1.65 0.05 0.00 1.00 0.00 0.00 33.01 32.26 3bit s GLN 262 CO 0.06 0.45 0.51 -1.54 -2.12 0.00 0.00 175.29 172.64 3bit s SER 263 N -0.54 -0.42 0.00 5.90 1.04 -1.26 -1.07 113.70 117.35 3bit s SER 263 Ca 0.08 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3bit s SER 263 Cb -0.08 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3bit s SER 263 CO -0.01 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.06 3bit n GLY 264 N 0.23 0.49 0.03 7.32 0.00 -1.26 -4.68 105.19 107.31 3bit n GLY 264 Ca -0.18 -1.69 0.01 0.00 0.00 0.00 0.00 46.02 44.16 3bit n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bit n LYS 265 N 0.00 2.03 -4.17 1.61 5.02 -1.26 -4.76 118.16 116.63 3bit n LYS 265 Ca 0.00 -1.40 -0.18 0.00 -2.02 0.00 0.00 58.31 54.72 3bit n LYS 265 Cb 0.00 -0.93 -0.15 0.00 -0.02 0.00 0.00 35.03 33.92 3bit n LYS 265 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3bit s LYS 266 N -0.98 0.58 0.03 1.97 1.02 -1.26 -4.62 119.74 116.47 3bit s LYS 266 Ca 0.04 -0.15 -0.00 0.00 0.02 0.00 0.00 55.97 55.88 3bit s LYS 266 Cb 0.03 -0.59 -0.02 0.00 -0.52 0.00 0.00 37.83 36.73 3bit s LYS 266 CO 0.00 0.04 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.38 3bit s PHE 267 N 0.30 0.32 -0.14 3.18 0.08 -1.26 -4.72 117.98 115.75 3bit s PHE 267 Ca -0.03 -0.61 -0.00 0.00 0.12 0.00 0.00 56.93 56.41 3bit s PHE 267 Cb -0.07 -0.23 0.03 0.00 -0.57 0.00 0.00 43.02 42.17 3bit s PHE 267 CO -0.00 -0.21 -0.09 0.34 -0.10 0.00 0.00 175.22 175.16 3bit s ASP 268 N -1.68 2.53 0.00 1.36 3.68 -1.26 -4.94 116.67 116.37 3bit s ASP 268 Ca -0.12 -0.47 0.21 0.00 2.13 0.00 0.00 52.55 54.30 3bit s ASP 268 Cb -0.07 -0.96 0.56 0.00 -1.45 0.00 0.00 42.92 40.99 3bit s ASP 268 CO -0.02 -0.12 1.47 0.18 0.13 0.00 0.00 175.17 176.81 3bit n LEU 269 N 4.87 3.41 -4.92 -1.34 4.77 -1.26 -4.77 117.00 117.76 3bit n LEU 269 Ca -0.14 -1.65 -0.26 0.00 -0.03 0.00 0.00 56.01 53.94 3bit n LEU 269 Cb 0.49 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3bit n LEU 269 CO 0.18 0.83 0.29 -0.13 -1.33 0.00 0.00 177.39 177.22 3bit s ARG 270 N -1.23 3.52 0.65 3.23 0.52 -1.26 -4.97 118.95 119.42 3bit s ARG 270 Ca 0.42 -0.09 0.42 0.00 -0.52 0.00 0.00 55.73 55.97 3bit s ARG 270 Cb 0.23 -2.54 2.33 0.00 0.52 0.00 0.00 34.95 35.48 3bit s ARG 270 CO 0.30 0.01 2.35 -0.39 0.02 0.00 0.00 175.30 177.60 3bit h VAL 271 N 0.59 0.10 0.00 3.52 -1.51 -2.04 -2.44 116.25 114.48 3bit h VAL 271 Ca -0.48 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3bit h VAL 271 Cb 1.21 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 3bit h VAL 271 CO 0.62 0.00 -0.09 -1.54 -1.23 0.00 0.00 177.57 175.33 3bit n SER 272 N -3.22 0.26 -4.65 4.19 3.41 -1.26 -4.91 113.62 107.44 3bit n SER 272 Ca -0.03 0.41 -0.44 0.00 -0.26 0.00 0.00 58.87 58.55 3bit n SER 272 Cb 0.07 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 3bit n SER 272 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bit n ALA 273 N -1.57 0.57 -2.64 7.33 0.00 -0.92 -5.02 120.51 118.25 3bit n ALA 273 Ca 0.06 0.38 -0.20 0.00 0.00 0.00 0.00 53.44 53.68 3bit n ALA 273 Cb 0.36 -2.15 -0.14 0.00 0.00 0.00 0.00 19.45 17.53 3bit n ALA 273 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3bit s ARG 274 N -1.63 0.94 0.29 0.00 1.81 -1.26 -4.96 118.95 114.14 3bit s ARG 274 Ca 0.58 -0.65 -0.29 0.00 -1.72 0.00 0.00 55.73 53.65 3bit s ARG 274 Cb -0.64 -0.93 -0.14 0.00 -0.45 0.00 0.00 34.95 32.80 3bit s ARG 274 CO 0.60 0.24 1.18 0.43 -0.68 0.00 0.00 175.30 177.07 3bit n SER 275 N 2.17 1.99 -4.96 0.23 7.64 -1.26 -4.97 113.62 114.46 3bit n SER 275 Ca -0.17 1.18 -0.22 0.00 1.01 0.00 0.00 58.87 60.67 3bit n SER 275 Cb 0.55 -1.36 0.04 0.00 -1.01 0.00 0.00 64.21 62.43 3bit n SER 275 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3bit s THR 276 N -0.82 2.75 -0.57 0.44 -4.23 -1.26 -4.59 115.64 107.36 3bit s THR 276 Ca 0.61 -0.54 0.05 0.00 -1.18 0.00 0.00 61.69 60.62 3bit s THR 276 Cb -0.67 -3.06 0.31 0.00 1.34 0.00 0.00 72.50 70.42 3bit s THR 276 CO 0.58 -0.05 1.09 0.59 -0.54 0.00 0.00 174.62 176.29 3bit n ASN 277 N -2.45 3.00 -4.84 3.99 3.02 -1.26 -0.81 115.26 115.91 3bit n ASN 277 Ca 0.07 -2.44 -0.33 0.00 -0.03 0.00 0.00 54.58 51.85 3bit n ASN 277 Cb 0.60 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3bit n ASN 277 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3bit s ASP 278 N -0.21 6.82 0.11 6.41 1.01 -1.26 -4.86 116.67 124.69 3bit s ASP 278 Ca 0.22 1.30 -0.36 0.00 0.71 0.00 0.00 52.55 54.43 3bit s ASP 278 Cb 0.17 -2.38 -0.16 0.00 1.01 0.00 0.00 42.92 41.57 3bit s ASP 278 CO 0.06 -0.17 1.44 1.67 0.21 0.00 0.00 175.17 178.38 3bit n GLN 279 N -0.18 1.53 -1.70 8.23 -0.06 -1.26 -1.45 117.38 122.49 3bit n GLN 279 Ca 0.03 0.55 -0.61 0.00 -2.00 0.00 0.00 57.00 54.97 3bit n GLN 279 Cb 0.53 -2.24 -0.08 0.00 -4.06 0.00 0.00 30.24 24.38 3bit n GLN 279 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3bit n LEU 280 N 2.91 1.71 -4.34 1.69 7.94 0.24 -4.74 117.00 122.41 3bit n LEU 280 Ca 0.18 1.13 -0.45 0.00 -1.11 0.00 0.00 56.01 55.75 3bit n LEU 280 Cb 0.23 -1.03 -0.06 0.00 0.53 0.00 0.00 43.42 43.09 3bit n LEU 280 CO 0.63 -0.75 0.15 -0.47 -1.11 0.00 0.00 177.39 175.83 3bit s TYR 281 N 2.80 3.22 -1.12 1.96 5.04 -1.26 -4.96 117.35 123.02 3bit s TYR 281 Ca 0.99 -1.16 -0.07 0.00 -2.44 0.00 0.00 57.07 54.39 3bit s TYR 281 Cb -1.23 -3.67 -0.05 0.00 0.35 0.00 0.00 41.96 37.36 3bit s TYR 281 CO 0.69 -1.00 2.91 0.41 -1.34 0.00 0.00 175.55 177.22 3bit n GLY 282 N 5.24 4.30 3.60 8.97 0.00 -1.26 -4.40 105.19 121.65 3bit n GLY 282 Ca -0.13 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 3bit n GLY 282 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bit s ASN 283 N 1.45 -0.63 0.70 1.61 3.84 -1.26 -4.98 114.94 115.67 3bit s ASN 283 Ca 0.64 1.07 0.00 0.00 0.21 0.00 0.00 52.86 54.78 3bit s ASN 283 Cb 0.23 1.04 0.00 0.00 -0.55 0.00 0.00 41.25 41.97 3bit s ASN 283 CO -0.08 -0.31 0.00 0.61 -2.79 0.00 0.00 177.10 174.53 3bit n GLY 284 N 2.04 0.41 3.65 1.21 0.00 -0.23 -4.67 105.19 107.60 3bit n GLY 284 Ca -0.14 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 3bit n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bit s ILE 286 N 0.30 2.66 -0.20 0.00 -1.09 0.76 -4.40 121.20 119.24 3bit s ILE 286 Ca 0.04 -0.76 -0.08 0.00 -2.23 0.00 0.00 60.65 57.62 3bit s ILE 286 Cb -0.12 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.58 3bit s ILE 286 CO -0.00 0.51 0.08 -0.76 -1.23 0.00 0.00 174.94 173.53 3bit s LEU 287 N 0.95 3.82 -0.02 2.97 1.43 -0.23 0.02 118.68 127.61 3bit s LEU 287 Ca -0.03 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 3bit s LEU 287 Cb -0.15 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 3bit s LEU 287 CO -0.02 0.14 -0.11 0.00 0.23 0.00 0.00 176.35 176.59 3bit s ALA 288 N 0.60 0.97 -0.01 4.21 0.00 -0.21 -0.77 121.76 126.55 3bit s ALA 288 Ca 0.04 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.58 3bit s ALA 288 Cb -0.13 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3bit s ALA 288 CO 0.01 0.19 -0.05 -1.12 0.00 0.00 0.00 175.76 174.80 3bit s SER 289 N -0.02 0.66 0.03 0.00 0.01 0.09 -1.16 113.70 113.31 3bit s SER 289 Ca 0.00 -0.10 -0.19 0.00 1.31 0.00 0.00 55.95 56.97 3bit s SER 289 Cb -0.07 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.06 3bit s SER 289 CO 0.00 0.04 0.43 0.00 0.41 0.00 0.00 173.24 174.12 3bit s GLY 291 N -1.85 0.17 0.49 0.00 0.00 -1.26 -1.43 107.32 103.43 3bit s GLY 291 Ca -0.07 -0.74 -0.20 0.00 0.00 0.00 0.00 44.72 43.72 3bit s GLY 291 CO -0.01 2.38 1.03 -0.42 0.00 0.00 0.00 173.10 176.09 3bit s ILE 292 N 2.17 3.83 -0.05 0.90 -1.09 -1.26 -0.23 121.20 125.47 3bit s ILE 292 Ca 0.10 1.13 0.06 0.00 -2.23 0.00 0.00 60.65 59.71 3bit s ILE 292 Cb -0.15 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.26 3bit s ILE 292 CO -0.32 -0.26 -0.24 -0.60 -1.23 0.00 0.00 174.94 172.29 3bit s ARG 293 N -3.26 2.47 -0.08 2.79 3.52 0.73 -2.16 118.95 122.95 3bit s ARG 293 Ca 0.67 -0.89 0.01 0.00 -0.13 0.00 0.00 55.73 55.39 3bit s ARG 293 Cb -0.16 -2.17 0.02 0.00 -1.56 0.00 0.00 34.95 31.09 3bit s ARG 293 CO 0.20 0.44 -0.08 -0.47 -0.81 0.00 0.00 175.30 174.58 3bit s TYR 294 N -0.30 1.28 -1.58 5.12 5.04 -0.51 -0.71 117.35 125.69 3bit s TYR 294 Ca 0.01 -0.53 -0.15 0.00 -2.44 0.00 0.00 57.07 53.96 3bit s TYR 294 Cb -0.13 -1.05 0.11 0.00 0.35 0.00 0.00 41.96 41.24 3bit s TYR 294 CO 0.02 -0.37 0.89 -1.71 -1.34 0.00 0.00 175.55 173.05 3bit n ASN 295 N 4.45 -4.04 0.00 4.32 5.15 0.00 -0.61 115.26 124.52 3bit n ASN 295 Ca -0.17 -0.87 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 3bit n ASN 295 Cb 0.51 -3.48 0.00 0.00 -0.53 0.00 0.00 39.78 36.27 3bit n ASN 295 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3bit n ASN 296 N -2.79 0.00 -4.62 1.20 3.02 -1.26 -5.01 115.26 105.81 3bit n ASN 296 Ca 0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 3bit n ASN 296 Cb 0.52 -0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 3bit n ASN 296 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3bit s TYR 297 N -3.20 3.26 0.50 3.10 1.51 0.22 -4.25 117.35 118.48 3bit s TYR 297 Ca 0.00 0.76 -0.17 0.00 -1.01 0.00 0.00 57.07 56.64 3bit s TYR 297 Cb 0.00 -2.93 -0.09 0.00 -0.11 0.00 0.00 41.96 38.84 3bit s TYR 297 CO 0.00 -0.40 0.98 0.00 -1.11 0.00 0.00 175.55 175.02 3bit s SER 299 N -2.88 0.49 -0.22 0.00 0.01 -0.92 -4.52 113.70 105.66 3bit s SER 299 Ca 0.60 -1.43 -0.19 0.00 1.31 0.00 0.00 55.95 56.24 3bit s SER 299 Cb -0.10 0.45 0.06 0.00 0.21 0.00 0.00 66.02 66.64 3bit s SER 299 CO 0.27 -0.94 0.58 0.21 0.41 0.00 0.00 173.24 173.78 3bit s ASN 300 N -3.20 -0.64 -0.05 2.44 2.47 -1.26 -4.21 114.94 110.49 3bit s ASN 300 Ca 0.37 1.19 -0.03 0.00 0.42 0.00 0.00 52.86 54.82 3bit s ASN 300 Cb 0.05 1.18 0.02 0.00 -1.45 0.00 0.00 41.25 41.05 3bit s ASN 300 CO 0.15 -0.21 0.12 -0.51 -3.72 0.00 0.00 177.10 172.94 3bit s ILE 301 N 0.57 -0.02 -0.05 -5.21 2.07 -0.52 -2.90 121.20 115.14 3bit s ILE 301 Ca -0.02 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.32 3bit s ILE 301 Cb -0.05 -0.19 0.00 0.00 0.13 0.00 0.00 42.46 42.36 3bit s ILE 301 CO -0.03 0.03 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.00 3bit s THR 302 N 0.50 1.25 0.05 4.00 2.01 -0.76 -1.34 115.64 121.35 3bit s THR 302 Ca -0.04 -0.58 0.07 0.00 0.31 0.00 0.00 61.69 61.45 3bit s THR 302 Cb -0.05 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 3bit s THR 302 CO -0.02 0.37 -0.19 -0.13 -0.69 0.00 0.00 174.62 173.97 3bit s ARG 303 N 0.35 1.18 -0.20 4.92 1.81 -0.31 -1.57 118.95 125.13 3bit s ARG 303 Ca -0.09 -0.93 -0.09 0.00 -1.72 0.00 0.00 55.73 52.89 3bit s ARG 303 Cb -0.13 -1.29 -0.05 0.00 -0.45 0.00 0.00 34.95 33.03 3bit s ARG 303 CO 0.03 0.32 0.12 0.99 -0.68 0.00 0.00 175.30 176.08 3bit s THR 304 N -0.90 5.23 -0.11 0.02 2.01 -1.21 -1.05 115.64 119.64 3bit s THR 304 Ca 0.05 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.14 3bit s THR 304 Cb -0.09 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3bit s THR 304 CO 0.02 0.43 0.05 -0.36 -0.69 0.00 0.00 174.62 174.07 3bit s PHE 305 N 0.50 3.31 -0.24 4.92 0.40 0.10 -4.89 117.98 122.08 3bit s PHE 305 Ca 0.07 0.28 -0.05 0.00 -0.60 0.00 0.00 56.93 56.62 3bit s PHE 305 Cb -0.12 -1.87 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 3bit s PHE 305 CO -0.00 0.51 0.01 -0.51 0.70 0.00 0.00 175.22 175.92 3bit s LEU 306 N -0.76 3.17 -0.28 -0.37 1.43 -0.52 -0.17 118.68 121.18 3bit s LEU 306 Ca 0.12 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 3bit s LEU 306 Cb -0.12 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3bit s LEU 306 CO 0.03 -0.04 0.07 -0.63 0.23 0.00 0.00 176.35 176.00 3bit s ILE 307 N 1.52 4.00 -1.34 -0.59 1.01 0.20 -0.27 121.20 125.73 3bit s ILE 307 Ca 0.06 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 3bit s ILE 307 Cb -0.15 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 3bit s ILE 307 CO -0.00 0.14 0.51 0.47 0.00 0.00 0.00 174.94 176.05 3bit n ASP 308 N 4.87 -1.51 -4.74 3.58 9.92 0.34 -1.07 116.55 127.95 3bit n ASP 308 Ca -0.15 -1.02 -0.36 0.00 -0.53 0.00 0.00 54.79 52.74 3bit n ASP 308 Cb 0.49 -3.09 0.07 0.00 -0.64 0.00 0.00 41.12 37.94 3bit n ASP 308 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3bit s PRO 309 N -6.45 2.54 0.88 -0.24 0.04 -1.26 -4.67 135.00 125.85 3bit s PRO 309 Ca 0.12 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 3bit s PRO 309 Cb -0.05 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.74 3bit s PRO 309 CO 0.88 -1.55 1.11 -1.54 0.04 0.00 0.00 177.00 175.94 3bit s SER 310 N -1.71 3.71 0.24 6.66 1.04 -1.26 -4.87 113.70 117.51 3bit s SER 310 Ca 0.78 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 58.35 3bit s SER 310 Cb -0.32 -1.86 0.29 0.00 0.10 0.00 0.00 66.02 64.23 3bit s SER 310 CO 0.40 -2.45 1.89 -0.33 0.98 0.00 0.00 173.24 173.72 3bit h GLU 311 N -1.43 1.11 -1.20 4.02 5.08 -2.05 -2.00 114.58 118.12 3bit h GLU 311 Ca -0.50 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 3bit h GLU 311 Cb 1.30 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3bit h GLU 311 CO 0.59 0.74 0.00 0.39 -1.00 0.00 0.00 179.01 179.73 3bit n GLU 312 N -4.51 0.27 0.00 2.33 1.02 -1.26 0.38 120.64 118.86 3bit n GLU 312 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3bit n GLU 312 Cb 0.10 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3bit n GLU 312 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bit n ALA 314 N 0.68 0.00 -0.29 0.62 0.00 -0.75 -0.96 120.51 119.81 3bit n ALA 314 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3bit n ALA 314 Cb 0.11 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.62 3bit n ALA 314 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3bit h ASN 315 N 0.00 1.09 0.51 0.00 -0.26 -0.34 -1.40 115.58 115.19 3bit h ASN 315 Ca 0.00 -0.17 -0.18 0.00 -0.56 0.00 0.00 56.30 55.39 3bit h ASN 315 Cb 0.00 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 36.97 3bit h ASN 315 CO 0.00 0.96 -0.80 0.78 -1.06 0.00 0.00 177.43 177.31 3bit h ASN 316 N 1.15 0.27 -0.69 5.81 -0.26 -1.27 -2.33 115.58 118.26 3bit h ASN 316 Ca 0.27 -0.20 0.04 0.00 -0.56 0.00 0.00 56.30 55.85 3bit h ASN 316 Cb 0.21 -0.08 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 3bit h ASN 316 CO -0.02 0.97 0.42 0.22 -1.06 0.00 0.00 177.43 177.95 3bit h TYR 317 N 0.13 0.78 -0.89 1.19 3.20 -1.71 -0.15 116.97 119.52 3bit h TYR 317 Ca -0.03 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3bit h TYR 317 Cb 1.40 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 39.36 3bit h TYR 317 CO 0.03 0.42 0.57 -0.44 -1.64 0.00 0.00 178.16 177.10 3bit h ASP 318 N 0.80 0.93 -0.57 -2.11 3.32 -1.04 -1.77 116.42 115.98 3bit h ASP 318 Ca 0.29 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 3bit h ASP 318 Cb 0.08 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3bit h ASP 318 CO -0.14 0.63 -0.02 0.15 -1.72 0.00 0.00 179.24 178.14 3bit h PHE 319 N 1.08 1.11 -0.66 4.55 3.04 -0.87 -1.85 116.94 123.35 3bit h PHE 319 Ca 0.36 -0.20 0.14 0.00 3.98 0.00 0.00 57.97 62.25 3bit h PHE 319 Cb 0.05 -0.29 -0.10 0.00 2.56 0.00 0.00 35.95 38.17 3bit h PHE 319 CO -0.02 1.00 0.07 1.25 -2.02 0.00 0.00 178.31 178.59 3bit h LEU 320 N 0.90 -0.16 -0.55 0.59 5.85 -0.34 0.42 115.31 122.02 3bit h LEU 320 Ca 0.16 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 3bit h LEU 320 Cb 0.57 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3bit h LEU 320 CO 0.03 -0.08 0.16 -0.07 -0.34 0.00 0.00 178.44 178.14 3bit h LEU 321 N 0.18 0.81 -0.70 2.25 3.38 -1.02 -1.71 115.31 118.49 3bit h LEU 321 Ca 0.35 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3bit h LEU 321 Cb 0.58 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3bit h LEU 321 CO -0.52 0.80 0.39 0.74 0.09 0.00 0.00 178.44 179.95 3bit h THR 322 N 0.76 1.21 -0.67 0.22 2.02 -0.80 -1.76 112.91 113.90 3bit h THR 322 Ca 0.18 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 3bit h THR 322 Cb 0.29 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3bit h THR 322 CO -0.00 0.23 0.22 0.25 0.37 0.00 0.00 175.52 176.59 3bit h LEU 323 N 0.96 0.97 -0.47 2.58 5.85 -0.80 -1.32 115.31 123.09 3bit h LEU 323 Ca 0.25 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3bit h LEU 323 Cb 0.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3bit h LEU 323 CO -0.04 0.92 0.24 -0.61 -0.34 0.00 0.00 178.44 178.61 3bit h GLN 324 N 0.98 0.66 -0.62 1.25 4.15 -0.92 -0.60 115.11 120.00 3bit h GLN 324 Ca 0.22 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 3bit h GLN 324 Cb 0.28 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 3bit h GLN 324 CO -0.01 0.54 0.38 -0.22 -1.93 0.00 0.00 178.83 177.59 3bit h LYS 325 N 0.62 0.84 -0.58 1.69 3.64 -1.12 -1.28 116.57 120.37 3bit h LYS 325 Ca 0.16 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3bit h LYS 325 Cb 0.08 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3bit h LYS 325 CO -0.02 0.60 0.36 1.49 -2.27 0.00 0.00 179.45 179.61 3bit h GLU 326 N 0.84 0.78 -0.10 1.90 4.57 -0.93 0.41 114.58 122.05 3bit h GLU 326 Ca 0.22 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3bit h GLU 326 Cb -0.03 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.39 3bit h GLU 326 CO -0.04 0.54 0.03 0.82 -1.18 0.00 0.00 179.01 179.18 3bit h ILE 327 N 0.78 1.16 -0.04 2.32 2.04 -0.70 -0.67 117.51 122.40 3bit h ILE 327 Ca 0.21 -0.50 -0.22 0.00 1.00 0.00 0.00 64.86 65.35 3bit h ILE 327 Cb -0.05 1.31 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3bit h ILE 327 CO -0.04 0.14 -0.89 0.58 0.00 0.00 0.00 178.15 177.95 3bit h VAL 328 N -0.02 1.35 0.21 1.67 2.07 -1.16 0.14 116.25 120.52 3bit h VAL 328 Ca 0.03 -2.27 -0.32 0.00 0.82 0.00 0.00 66.70 64.97 3bit h VAL 328 Cb 0.20 2.27 0.03 0.00 -1.52 0.00 0.00 31.29 32.27 3bit h VAL 328 CO -0.00 0.69 -1.44 0.74 0.02 0.00 0.00 177.57 177.57 3bit h THR 329 N 0.32 1.31 0.00 2.57 2.02 -0.95 -3.42 112.91 114.76 3bit h THR 329 Ca -0.07 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.31 3bit h THR 329 Cb 1.51 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 70.91 3bit h THR 329 CO 0.16 0.84 -0.96 0.59 0.37 0.00 0.00 175.52 176.52 3bit n ASN 330 N -3.64 4.78 -0.11 4.18 5.03 -0.28 -4.88 115.26 120.34 3bit n ASN 330 Ca -0.15 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.11 3bit n ASN 330 Cb 1.08 0.80 -0.09 0.00 -1.02 0.00 0.00 39.78 40.56 3bit n ASN 330 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3bit n ILE 331 N -1.60 1.20 -2.46 2.41 5.41 -0.91 -4.80 119.36 118.62 3bit n ILE 331 Ca 0.00 -0.38 -0.39 0.00 1.00 0.00 0.00 62.75 62.98 3bit n ILE 331 Cb 0.15 -1.52 -0.02 0.00 -0.71 0.00 0.00 39.64 37.55 3bit n ILE 331 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3bit s LEU 332 N -6.71 3.59 0.02 1.39 2.96 0.45 -4.85 118.68 115.54 3bit s LEU 332 Ca -0.29 -2.00 0.05 0.00 -0.22 0.00 0.00 54.13 51.67 3bit s LEU 332 Cb 0.10 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 3bit s LEU 332 CO 0.43 -1.66 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.13 3bit s LYS 333 N 4.93 2.28 0.23 1.98 -0.14 -1.26 -4.94 119.74 122.82 3bit s LYS 333 Ca 0.56 -0.87 -0.31 0.00 -1.36 0.00 0.00 55.97 53.99 3bit s LYS 333 Cb 0.02 -2.32 -0.14 0.00 -1.68 0.00 0.00 37.83 33.71 3bit s LYS 333 CO 0.05 0.57 1.30 -2.30 -0.76 0.00 0.00 175.35 174.20 3bit n PRO 334 N 1.58 1.72 0.00 -1.68 -0.02 -1.26 -2.65 135.00 132.68 3bit n PRO 334 Ca -0.16 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3bit n PRO 334 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3bit n PRO 334 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bit n GLY 335 N 1.97 2.17 3.86 -1.23 0.00 0.10 -4.94 105.19 107.12 3bit n GLY 335 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3bit n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bit s ARG 336 N -0.99 3.94 0.57 1.61 0.52 -1.09 -4.73 118.95 118.78 3bit s ARG 336 Ca 0.00 0.55 -0.09 0.00 -0.52 0.00 0.00 55.73 55.67 3bit s ARG 336 Cb 0.00 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 3bit s ARG 336 CO 0.00 0.20 0.94 0.95 0.02 0.00 0.00 175.30 177.40 3bit s THR 337 N -1.95 4.78 0.25 0.02 -4.23 -1.26 -0.89 115.64 112.36 3bit s THR 337 Ca 0.52 0.64 -0.04 0.00 -1.18 0.00 0.00 61.69 61.63 3bit s THR 337 Cb -0.10 -3.87 0.22 0.00 1.34 0.00 0.00 72.50 70.09 3bit s THR 337 CO 0.19 -1.03 1.75 -0.65 -0.54 0.00 0.00 174.62 174.34 3bit h PRO 338 N -0.09 0.54 -0.34 3.99 0.11 -1.71 -1.29 132.00 133.21 3bit h PRO 338 Ca -0.45 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3bit h PRO 338 Cb 1.20 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3bit h PRO 338 CO 0.62 0.35 0.15 -0.22 -0.21 0.00 0.00 178.00 178.69 3bit h LYS 339 N 0.55 0.30 -0.70 1.05 3.64 -1.01 0.45 116.57 120.84 3bit h LYS 339 Ca 0.42 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 3bit h LYS 339 Cb 0.57 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 3bit h LYS 339 CO -0.36 0.20 0.37 0.93 -2.27 0.00 0.00 179.45 178.32 3bit h GLU 340 N 0.31 0.99 0.07 1.90 5.08 -1.79 -0.61 114.58 120.53 3bit h GLU 340 Ca 0.15 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3bit h GLU 340 Cb 0.09 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3bit h GLU 340 CO -0.13 0.76 -0.03 0.28 -1.00 0.00 0.00 179.01 178.89 3bit h VAL 341 N 0.97 0.97 -0.28 3.13 2.07 -0.91 -1.82 116.25 120.38 3bit h VAL 341 Ca 0.24 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 3bit h VAL 341 Cb 0.07 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3bit h VAL 341 CO -0.04 0.03 0.11 0.22 0.02 0.00 0.00 177.57 177.92 3bit h TYR 342 N -0.15 0.43 -0.60 1.57 3.20 -0.80 -0.87 116.97 119.75 3bit h TYR 342 Ca -0.01 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.93 3bit h TYR 342 Cb 0.12 -0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.19 3bit h TYR 342 CO -0.05 0.43 0.17 0.93 -1.64 0.00 0.00 178.16 178.00 3bit h GLU 343 N 0.31 0.31 -0.34 1.82 5.08 -1.10 -0.91 114.58 119.75 3bit h GLU 343 Ca 0.09 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3bit h GLU 343 Cb 0.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3bit h GLU 343 CO -0.01 0.21 -0.14 0.77 -1.00 0.00 0.00 179.01 178.84 3bit h SER 344 N 0.32 0.58 -0.10 1.42 0.02 -0.66 0.12 113.55 115.25 3bit h SER 344 Ca 0.31 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3bit h SER 344 Cb 0.44 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3bit h SER 344 CO -0.36 0.75 0.02 0.58 -1.14 0.00 0.00 176.83 176.68 3bit h VAL 345 N 0.54 1.19 -0.09 2.27 2.07 -0.51 -0.66 116.25 121.07 3bit h VAL 345 Ca 0.09 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.05 3bit h VAL 345 Cb 0.55 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3bit h VAL 345 CO 0.04 0.17 -0.12 0.40 0.02 0.00 0.00 177.57 178.08 3bit h ILE 346 N -0.04 0.67 -0.73 4.57 1.08 -0.83 -0.85 117.51 121.38 3bit h ILE 346 Ca 0.03 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.66 3bit h ILE 346 Cb 0.25 0.67 -0.11 0.00 -3.07 0.00 0.00 36.82 34.56 3bit h ILE 346 CO 0.00 0.00 0.11 -0.08 -0.69 0.00 0.00 178.15 177.50 3bit h GLU 347 N -0.16 0.20 -0.24 2.37 4.81 -0.89 0.24 114.58 120.91 3bit h GLU 347 Ca 0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3bit h GLU 347 Cb 0.27 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3bit h GLU 347 CO -0.19 0.13 0.12 -0.92 -0.73 0.00 0.00 179.01 177.42 3bit h TYR 348 N 0.20 0.35 -0.84 0.92 5.03 -0.65 -2.35 116.97 119.64 3bit h TYR 348 Ca 0.41 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.69 3bit h TYR 348 Cb 0.70 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.83 3bit h TYR 348 CO -0.31 0.33 0.48 0.82 -1.32 0.00 0.00 178.16 178.16 3bit h ILE 349 N 0.26 1.24 0.00 1.81 2.04 -0.32 -2.33 117.51 120.22 3bit h ILE 349 Ca 0.08 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3bit h ILE 349 Cb 0.11 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3bit h ILE 349 CO -0.01 0.26 -0.03 -0.33 0.00 0.00 0.00 178.15 178.04 3bit h GLU 350 N 1.16 0.00 0.00 2.37 4.39 -0.41 0.11 114.58 122.20 3bit h GLU 350 Ca 0.30 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.80 3bit h GLU 350 Cb -0.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3bit h GLU 350 CO -0.05 0.03 -1.06 0.87 -1.16 0.00 0.00 179.01 177.64 3bit h LYS 351 N 0.00 0.00 0.00 2.33 1.57 -0.91 -3.35 116.57 116.21 3bit h LYS 351 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bit h LYS 351 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3bit h LYS 351 CO 0.00 0.75 -0.59 0.25 -0.57 0.00 0.00 179.45 179.30 3bit n THR 352 N -3.23 1.27 -3.45 -0.16 -2.24 -0.94 -4.85 114.28 100.67 3bit n THR 352 Ca -0.03 0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.72 3bit n THR 352 Cb 0.91 -2.01 -0.09 0.00 -2.10 0.00 0.00 70.33 67.04 3bit n THR 352 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3bit n LYS 353 N -3.97 1.75 0.22 -0.78 4.76 0.35 -4.95 118.16 115.53 3bit n LYS 353 Ca -0.08 -4.16 0.13 0.00 -2.87 0.00 0.00 58.31 51.33 3bit n LYS 353 Cb 0.31 -1.96 0.73 0.00 -1.84 0.00 0.00 35.03 32.27 3bit n LYS 353 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3bit h PRO 354 N 4.50 0.00 0.00 1.97 0.13 -1.63 -0.25 132.00 136.72 3bit h PRO 354 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3bit h PRO 354 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3bit h PRO 354 CO 0.68 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.50 3bit h GLU 355 N 0.00 0.00 0.00 0.86 9.09 -1.92 -2.61 114.58 120.00 3bit h GLU 355 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 3bit h GLU 355 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3bit h GLU 355 CO -0.00 0.00 -0.68 1.28 0.05 0.00 0.00 179.01 179.66 3bit n LEU 356 N -2.78 0.61 -0.11 3.06 4.77 -0.10 -4.48 117.00 117.97 3bit n LEU 356 Ca -0.01 0.09 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 3bit n LEU 356 Cb 0.13 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3bit n LEU 356 CO 0.19 0.03 0.85 0.58 -1.33 0.00 0.00 177.39 177.71 3bit h VAL 357 N 0.00 0.70 0.00 4.08 2.07 -1.58 -1.09 116.25 120.44 3bit h VAL 357 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3bit h VAL 357 Cb 0.66 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3bit h VAL 357 CO 0.00 0.02 0.00 -0.65 0.02 0.00 0.00 177.57 176.96 3bit h PRO 358 N 0.10 0.00 0.00 1.57 0.11 -1.81 -1.88 132.00 130.09 3bit h PRO 358 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3bit h PRO 358 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3bit h PRO 358 CO -0.32 0.00 -0.39 0.09 -0.21 0.00 0.00 178.00 177.16 3bit n ASN 359 N -2.65 0.52 -4.80 -2.05 4.13 -0.42 -4.97 115.26 105.01 3bit n ASN 359 Ca -0.00 0.12 -0.34 0.00 1.68 0.00 0.00 54.58 56.04 3bit n ASN 359 Cb 0.17 -0.04 -0.06 0.00 -1.54 0.00 0.00 39.78 38.31 3bit n ASN 359 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3bit s PHE 360 N -3.07 3.31 0.63 3.10 5.99 -0.71 -0.88 117.98 126.35 3bit s PHE 360 Ca 0.10 1.64 -0.18 0.00 0.00 0.00 0.00 56.93 58.48 3bit s PHE 360 Cb 0.16 -2.94 -0.02 0.00 0.00 0.00 0.00 43.02 40.22 3bit s PHE 360 CO 0.66 -0.26 1.21 0.25 -0.00 0.00 0.00 175.22 177.08 3bit n THR 361 N -0.44 4.61 1.23 0.12 -2.24 -0.91 -4.91 114.28 111.74 3bit n THR 361 Ca 0.06 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.48 3bit n THR 361 Cb 0.53 -1.40 0.68 0.00 -2.10 0.00 0.00 70.33 68.03 3bit n THR 361 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3bit n LYS 362 N -1.65 0.29 -4.14 -0.78 4.76 -1.26 -4.80 118.16 110.58 3bit n LYS 362 Ca 0.15 0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.52 3bit n LYS 362 Cb 0.48 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.07 3bit n LYS 362 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3bit s ASN 363 N -2.70 0.32 -0.22 4.39 2.20 -1.26 -4.57 114.94 113.10 3bit s ASN 363 Ca 0.23 -1.18 0.14 0.00 -0.94 0.00 0.00 52.86 51.11 3bit s ASN 363 Cb 0.19 0.29 0.54 0.00 -2.00 0.00 0.00 41.25 40.26 3bit s ASN 363 CO 0.46 -0.72 1.46 2.30 -2.94 0.00 0.00 177.10 177.66 3bit n ILE 364 N -0.07 2.41 0.00 0.54 -5.35 -0.37 -4.67 119.36 111.85 3bit n ILE 364 Ca -0.06 -2.10 0.00 0.00 -0.27 0.00 0.00 62.75 60.32 3bit n ILE 364 Cb 0.63 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 3bit n ILE 364 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bit n GLY 365 N -0.68 0.13 3.73 3.28 0.00 -1.11 -1.30 105.19 109.24 3bit n GLY 365 Ca 0.26 -1.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 3bit n GLY 365 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bit s SER 366 N -4.00 -0.30 0.27 1.61 1.04 -0.33 -1.05 113.70 110.95 3bit s SER 366 Ca 0.00 -0.41 -0.30 0.00 0.48 0.00 0.00 55.95 55.72 3bit s SER 366 Cb 0.00 0.62 -0.13 0.00 0.10 0.00 0.00 66.02 66.61 3bit s SER 366 CO 0.00 -1.12 1.24 -0.11 0.98 0.00 0.00 173.24 174.23 3bit n LEU 367 N -0.43 2.69 -4.34 2.42 7.94 -0.26 0.17 117.00 125.18 3bit n LEU 367 Ca -0.07 1.17 -0.23 0.00 -1.11 0.00 0.00 56.01 55.77 3bit n LEU 367 Cb 0.61 -1.38 -0.12 0.00 0.53 0.00 0.00 43.42 43.06 3bit n LEU 367 CO 0.14 -0.83 -0.50 -0.51 -1.11 0.00 0.00 177.39 174.58 3bit s ILE 368 N -0.65 1.91 0.00 1.96 2.07 0.05 -3.74 121.20 122.80 3bit s ILE 368 Ca 0.62 -1.88 0.00 0.00 -1.41 0.00 0.00 60.65 57.98 3bit s ILE 368 Cb -0.66 -1.86 0.00 0.00 0.13 0.00 0.00 42.46 40.07 3bit s ILE 368 CO 0.56 -0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.97 3bit n GLY 369 N 0.42 -0.74 0.25 1.50 0.00 -1.26 -4.46 105.19 100.89 3bit n GLY 369 Ca -0.14 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.22 3bit n GLY 369 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bit h LEU 370 N 0.00 0.00 -9.89 0.99 3.38 -1.93 0.10 115.31 107.96 3bit h LEU 370 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3bit h LEU 370 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3bit h LEU 370 CO 0.00 0.15 -0.52 -1.61 0.09 0.00 0.00 178.44 176.55 3bit s GLU 371 N -4.17 3.21 0.03 1.13 2.02 -1.26 -4.76 118.70 114.90 3bit s GLU 371 Ca -0.03 -0.66 -0.21 0.00 0.02 0.00 0.00 54.97 54.09 3bit s GLU 371 Cb 0.13 -2.86 -0.16 0.00 0.10 0.00 0.00 34.13 31.35 3bit s GLU 371 CO 0.61 0.53 1.33 0.35 0.02 0.00 0.00 175.26 178.10 3bit h PHE 372 N 2.54 0.34 -2.47 1.61 -0.00 -1.91 -3.43 116.94 113.61 3bit h PHE 372 Ca -0.47 -0.10 -0.57 0.00 -0.00 0.00 0.00 57.97 56.82 3bit h PHE 372 Cb 1.19 -0.07 -0.38 0.00 -0.00 0.00 0.00 35.95 36.68 3bit h PHE 372 CO 0.57 0.69 -0.89 0.50 -0.00 0.00 0.00 178.31 179.18 3bit s ARG 373 N -4.30 0.67 -0.23 1.11 3.52 -1.26 -4.59 118.95 113.87 3bit s ARG 373 Ca -0.14 -1.58 -0.28 0.00 -0.13 0.00 0.00 55.73 53.60 3bit s ARG 373 Cb 0.04 -1.30 -0.05 0.00 -1.56 0.00 0.00 34.95 32.08 3bit s ARG 373 CO 0.74 -1.27 2.19 0.34 -0.81 0.00 0.00 175.30 176.48 3bit s ASP 374 N 0.73 5.48 0.44 -2.12 3.68 -1.25 -4.83 116.67 118.81 3bit s ASP 374 Ca 0.23 1.85 0.31 0.00 2.13 0.00 0.00 52.55 57.07 3bit s ASP 374 Cb -0.13 -2.51 1.53 0.00 -1.45 0.00 0.00 42.92 40.35 3bit s ASP 374 CO -0.07 -1.95 1.93 0.77 0.13 0.00 0.00 175.17 175.98 3bit h SER 375 N 14.94 0.00 -0.56 -0.34 4.64 -1.98 0.68 113.55 130.92 3bit h SER 375 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3bit h SER 375 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3bit h SER 375 CO 0.97 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.52 3bit n ASN 376 N -2.62 3.38 -2.73 4.97 5.03 -1.26 -4.40 115.26 117.63 3bit n ASN 376 Ca -0.01 -2.12 -0.09 0.00 0.87 0.00 0.00 54.58 53.24 3bit n ASN 376 Cb 0.13 -0.43 0.07 0.00 -1.02 0.00 0.00 39.78 38.53 3bit n ASN 376 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3bit n PHE 377 N 1.09 -1.08 -3.20 3.10 -0.00 0.23 -4.88 117.46 112.72 3bit n PHE 377 Ca 0.20 -2.39 -0.38 0.00 -0.00 0.00 0.00 57.45 54.88 3bit n PHE 377 Cb 0.57 0.77 -0.06 0.00 -0.00 0.00 0.00 39.48 40.77 3bit n PHE 377 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3bit s ILE 378 N -1.13 4.66 -1.27 -2.13 1.01 -1.21 -1.10 121.20 120.03 3bit s ILE 378 Ca 0.25 1.25 -0.13 0.00 0.00 0.00 0.00 60.65 62.03 3bit s ILE 378 Cb 0.40 -3.91 0.15 0.00 0.01 0.00 0.00 42.46 39.11 3bit s ILE 378 CO -0.04 0.43 1.69 0.18 0.00 0.00 0.00 174.94 177.20 3bit n LEU 379 N 1.36 5.80 -4.24 2.97 4.77 -0.21 -4.68 117.00 122.77 3bit n LEU 379 Ca -0.07 -4.43 -0.16 0.00 -0.03 0.00 0.00 56.01 51.32 3bit n LEU 379 Cb 0.51 -1.59 -0.09 0.00 -2.33 0.00 0.00 43.42 39.91 3bit n LEU 379 CO 0.43 0.90 -0.17 0.54 -1.33 0.00 0.00 177.39 177.76 3bit s ASN 380 N 2.38 0.94 0.41 -1.43 2.20 -1.26 -1.23 114.94 116.95 3bit s ASN 380 Ca 0.44 -1.58 0.29 0.00 -0.94 0.00 0.00 52.86 51.06 3bit s ASN 380 Cb 0.04 0.47 1.24 0.00 -2.00 0.00 0.00 41.25 41.00 3bit s ASN 380 CO 0.01 -0.96 1.86 -0.37 -2.94 0.00 0.00 177.10 174.70 3bit h VAL 381 N 2.37 0.00 0.00 3.54 -1.51 -1.83 -3.02 116.25 115.79 3bit h VAL 381 Ca -0.30 -0.32 -0.07 0.00 -1.23 0.00 0.00 66.70 64.78 3bit h VAL 381 Cb 1.24 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 3bit h VAL 381 CO 0.44 0.00 -0.34 0.11 -1.23 0.00 0.00 177.57 176.56 3bit h LYS 382 N 0.00 0.00 -4.32 5.19 1.57 -1.94 -3.42 116.57 113.65 3bit h LYS 382 Ca 0.00 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.04 3bit h LYS 382 Cb 0.38 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.47 3bit h LYS 382 CO 0.00 0.34 -0.07 1.21 -0.57 0.00 0.00 179.45 180.35 3bit s ASN 383 N -6.33 6.21 -0.07 0.86 3.84 -1.17 -4.82 114.94 113.45 3bit s ASN 383 Ca 0.02 -1.68 0.13 0.00 0.21 0.00 0.00 52.86 51.54 3bit s ASN 383 Cb 0.10 -2.25 0.42 0.00 -0.55 0.00 0.00 41.25 38.97 3bit s ASN 383 CO 0.68 -0.95 1.35 -0.90 -2.79 0.00 0.00 177.10 174.48 3bit n ASP 384 N 5.65 3.41 -0.29 -4.21 5.75 -1.26 -1.15 116.55 124.45 3bit n ASP 384 Ca -0.11 -2.37 0.03 0.00 -0.01 0.00 0.00 54.79 52.33 3bit n ASP 384 Cb 0.41 -0.37 0.06 0.00 -1.03 0.00 0.00 41.12 40.19 3bit n ASP 384 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bit n TYR 385 N 0.25 0.16 -4.26 2.11 0.18 -1.26 -4.96 117.16 109.38 3bit n TYR 385 Ca 0.16 -0.34 -0.22 0.00 1.88 0.00 0.00 57.90 59.38 3bit n TYR 385 Cb 0.62 -0.03 -0.12 0.00 -0.38 0.00 0.00 39.34 39.43 3bit n TYR 385 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3bit s ARG 386 N -0.83 1.06 -0.05 -3.48 1.81 -1.26 -5.15 118.95 111.05 3bit s ARG 386 Ca 0.10 -1.13 0.06 0.00 -1.72 0.00 0.00 55.73 53.04 3bit s ARG 386 Cb 0.06 -1.24 -0.02 0.00 -0.45 0.00 0.00 34.95 33.29 3bit s ARG 386 CO 0.08 0.28 -0.22 0.15 -0.68 0.00 0.00 175.30 174.91 3bit s LYS 387 N -1.93 2.44 0.33 3.54 -0.14 -1.26 -4.11 119.74 118.62 3bit s LYS 387 Ca 0.05 -0.85 -0.29 0.00 -1.36 0.00 0.00 55.97 53.52 3bit s LYS 387 Cb -0.10 -2.20 -0.11 0.00 -1.68 0.00 0.00 37.83 33.74 3bit s LYS 387 CO 0.04 0.49 1.53 -0.89 -0.76 0.00 0.00 175.35 175.75 3bit n ILE 388 N 2.66 1.51 -4.66 2.17 5.41 -0.07 -4.80 119.36 121.58 3bit n ILE 388 Ca -0.17 -0.38 -0.28 0.00 1.00 0.00 0.00 62.75 62.92 3bit n ILE 388 Cb 0.52 -1.93 -0.14 0.00 -0.71 0.00 0.00 39.64 37.38 3bit n ILE 388 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3bit s GLN 389 N -1.29 1.53 0.33 0.38 -1.52 -1.26 0.01 119.66 117.85 3bit s GLN 389 Ca 0.59 -1.13 -0.29 0.00 -1.95 0.00 0.00 55.36 52.58 3bit s GLN 389 Cb -0.50 -1.78 -0.12 0.00 -0.22 0.00 0.00 33.01 30.40 3bit s GLN 389 CO 0.56 0.45 1.52 0.54 -0.25 0.00 0.00 175.29 178.10 3bit n ARG 390 N 1.52 2.62 0.00 2.91 1.74 -1.26 -1.60 116.66 122.60 3bit n ARG 390 Ca -0.17 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 3bit n ARG 390 Cb 0.53 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.30 3bit n ARG 390 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bit n GLY 391 N 1.32 1.61 3.76 -0.13 0.00 0.49 -4.73 105.19 107.51 3bit n GLY 391 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3bit n GLY 391 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bit s ASP 392 N -1.85 7.06 -0.08 1.61 1.11 -0.62 -1.39 116.67 122.51 3bit s ASP 392 Ca 0.00 2.33 0.02 0.00 0.18 0.00 0.00 52.55 55.08 3bit s ASP 392 Cb 0.00 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 3bit s ASP 392 CO 0.00 -0.30 -0.12 0.00 1.18 0.00 0.00 175.17 175.94 3bit s PHE 394 N -0.48 1.93 -0.57 0.00 0.40 0.44 -0.77 117.98 118.92 3bit s PHE 394 Ca 0.06 -0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 55.79 3bit s PHE 394 Cb -0.12 -1.10 0.06 0.00 0.51 0.00 0.00 43.02 42.37 3bit s PHE 394 CO 0.02 0.17 0.81 1.21 0.70 0.00 0.00 175.22 178.13 3bit s ASN 395 N -1.56 6.24 -0.48 1.36 2.47 0.13 -0.88 114.94 122.22 3bit s ASN 395 Ca 0.08 -0.85 -0.17 0.00 0.42 0.00 0.00 52.86 52.35 3bit s ASN 395 Cb -0.10 -2.37 0.06 0.00 -1.45 0.00 0.00 41.25 37.40 3bit s ASN 395 CO 0.03 -1.16 0.46 -0.63 -3.72 0.00 0.00 177.10 172.08 3bit s ILE 396 N 3.38 5.12 -0.04 -5.21 -1.09 -0.60 -1.19 121.20 121.58 3bit s ILE 396 Ca 0.21 -0.86 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 3bit s ILE 396 Cb -0.17 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.56 3bit s ILE 396 CO 0.13 -0.63 -0.04 -0.55 -1.23 0.00 0.00 174.94 172.62 3bit s SER 397 N 2.56 0.94 0.31 3.58 0.15 -0.42 -1.42 113.70 119.40 3bit s SER 397 Ca 0.08 -0.11 -0.20 0.00 0.70 0.00 0.00 55.95 56.42 3bit s SER 397 Cb -0.22 -0.42 0.03 0.00 -1.71 0.00 0.00 66.02 63.70 3bit s SER 397 CO 0.09 -0.07 0.76 0.72 1.20 0.00 0.00 173.24 175.93 3bit s PHE 398 N 1.02 -0.08 0.06 3.44 -0.71 -0.82 -2.77 117.98 118.11 3bit s PHE 398 Ca -0.10 -0.44 -0.20 0.00 -1.04 0.00 0.00 56.93 55.16 3bit s PHE 398 Cb -0.14 0.75 0.07 0.00 -1.21 0.00 0.00 43.02 42.48 3bit s PHE 398 CO -0.01 -1.32 0.91 0.41 -1.34 0.00 0.00 175.22 173.87 3bit n GLY 399 N -0.49 0.52 2.95 1.99 0.00 -1.26 -1.08 105.19 107.82 3bit n GLY 399 Ca -0.05 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 3bit n GLY 399 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bit s PHE 400 N -2.59 1.48 0.27 1.61 0.40 0.20 -2.14 117.98 117.22 3bit s PHE 400 Ca 0.21 -0.68 0.08 0.00 -0.60 0.00 0.00 56.93 55.94 3bit s PHE 400 Cb -0.01 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.30 3bit s PHE 400 CO 0.02 -0.43 0.16 1.21 0.70 0.00 0.00 175.22 176.87 3bit s ASN 401 N 1.34 5.21 -1.32 1.36 3.84 -0.06 -1.36 114.94 123.95 3bit s ASN 401 Ca -0.02 -0.41 -0.06 0.00 0.21 0.00 0.00 52.86 52.58 3bit s ASN 401 Cb -0.14 -1.17 0.01 0.00 -0.55 0.00 0.00 41.25 39.40 3bit s ASN 401 CO -0.04 -0.09 0.78 0.59 -2.79 0.00 0.00 177.10 175.55 3bit n ASN 402 N -1.14 -5.82 -4.77 -4.21 3.02 -1.16 -4.69 115.26 96.50 3bit n ASN 402 Ca -0.06 -0.36 -0.40 0.00 -0.03 0.00 0.00 54.58 53.73 3bit n ASN 402 Cb 0.59 -4.55 -0.06 0.00 -0.61 0.00 0.00 39.78 35.15 3bit n ASN 402 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bit s LEU 403 N -6.33 4.58 -0.23 3.41 1.43 -0.30 -4.90 118.68 116.33 3bit s LEU 403 Ca 0.39 1.67 -0.05 0.00 -1.03 0.00 0.00 54.13 55.10 3bit s LEU 403 Cb -0.17 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 3bit s LEU 403 CO 0.48 0.17 0.01 -0.75 0.23 0.00 0.00 176.35 176.48 3bit s LYS 404 N -0.96 3.52 -0.08 1.70 2.47 -1.26 -0.14 119.74 124.98 3bit s LYS 404 Ca 0.37 -0.55 -0.30 0.00 -1.56 0.00 0.00 55.97 53.93 3bit s LYS 404 Cb -0.23 -3.15 -0.04 0.00 -1.46 0.00 0.00 37.83 32.95 3bit s LYS 404 CO 0.27 -0.18 1.39 0.34 0.16 0.00 0.00 175.35 177.33 3bit s ASP 405 N 1.50 6.86 0.19 1.43 -1.08 0.39 -4.93 116.67 121.04 3bit s ASP 405 Ca 0.06 1.95 -0.12 0.00 -0.52 0.00 0.00 52.55 53.92 3bit s ASP 405 Cb -0.15 -2.54 0.12 0.00 -1.46 0.00 0.00 42.92 38.89 3bit s ASP 405 CO 0.00 -0.77 1.86 0.77 0.52 0.00 0.00 175.17 177.55 3bit h SER 406 N 8.35 0.74 0.54 -0.34 4.64 -1.95 0.29 113.55 125.81 3bit h SER 406 Ca -0.33 -0.02 -0.26 0.00 -0.47 0.00 0.00 61.79 60.71 3bit h SER 406 Cb 1.15 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3bit h SER 406 CO 0.94 0.53 -1.16 1.56 -0.87 0.00 0.00 176.83 177.83 3bit h GLN 407 N 0.87 0.32 0.00 4.77 4.20 -1.98 -3.31 115.11 119.98 3bit h GLN 407 Ca 0.24 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3bit h GLN 407 Cb -0.09 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3bit h GLN 407 CO -0.06 1.19 -1.25 -1.13 -0.67 0.00 0.00 178.83 176.92 3bit n SER 408 N -3.60 0.61 -0.01 1.46 3.41 -1.22 -4.96 113.62 109.31 3bit n SER 408 Ca -0.08 0.19 -0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3bit n SER 408 Cb 0.97 0.86 -0.00 0.00 -0.26 0.00 0.00 64.21 65.78 3bit n SER 408 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bit n ALA 409 N -2.16 -0.00 -1.94 7.33 0.00 0.10 -4.99 120.51 118.85 3bit n ALA 409 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3bit n ALA 409 Cb 0.54 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 3bit n ALA 409 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3bit s ASN 410 N -2.01 7.26 0.30 0.00 0.01 -1.24 -4.71 114.94 114.55 3bit s ASN 410 Ca 0.00 2.17 -0.28 0.00 -0.71 0.00 0.00 52.86 54.03 3bit s ASN 410 Cb 0.00 -2.61 -0.09 0.00 0.41 0.00 0.00 41.25 38.95 3bit s ASN 410 CO 0.00 -0.20 1.04 0.21 -1.51 0.00 0.00 177.10 176.65 3bit s ASN 411 N -0.39 7.26 0.32 -1.22 3.84 -1.26 -0.46 114.94 123.03 3bit s ASN 411 Ca 0.48 2.13 -0.01 0.00 0.21 0.00 0.00 52.86 55.66 3bit s ASN 411 Cb -0.31 -2.61 -0.01 0.00 -0.55 0.00 0.00 41.25 37.78 3bit s ASN 411 CO 0.37 -0.14 0.41 -0.72 -2.79 0.00 0.00 177.10 174.24 3bit s TYR 412 N -1.29 1.14 0.09 0.43 1.13 0.80 -4.59 117.35 115.07 3bit s TYR 412 Ca 0.47 -1.32 -0.07 0.00 -1.41 0.00 0.00 57.07 54.74 3bit s TYR 412 Cb -0.28 -0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.36 3bit s TYR 412 CO 0.35 -1.04 0.15 0.00 -2.51 0.00 0.00 175.55 172.50 3bit s ALA 413 N -3.28 0.04 0.00 9.51 0.00 -1.26 -1.16 121.76 125.62 3bit s ALA 413 Ca 0.32 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3bit s ALA 413 Cb 0.01 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 3bit s ALA 413 CO 0.20 -0.50 -0.07 -0.51 0.00 0.00 0.00 175.76 174.88 3bit s LEU 414 N -2.90 2.04 -0.10 0.00 1.43 -0.46 -4.84 118.68 113.84 3bit s LEU 414 Ca 0.09 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 3bit s LEU 414 Cb 0.05 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.97 3bit s LEU 414 CO -0.08 0.05 0.36 -1.58 0.23 0.00 0.00 176.35 175.34 3bit s GLN 415 N -0.31 0.52 -0.13 1.70 0.74 -1.26 -0.62 119.66 120.29 3bit s GLN 415 Ca 0.01 0.31 -0.06 0.00 0.05 0.00 0.00 55.36 55.67 3bit s GLN 415 Cb -0.03 0.24 0.05 0.00 1.10 0.00 0.00 33.01 34.37 3bit s GLN 415 CO -0.00 -0.10 0.31 -1.17 -0.55 0.00 0.00 175.29 173.78 3bit s LEU 416 N -0.26 0.12 0.01 3.68 2.96 -0.24 -3.28 118.68 121.67 3bit s LEU 416 Ca -0.04 0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 54.53 3bit s LEU 416 Cb -0.03 0.95 -0.01 0.00 0.50 0.00 0.00 46.19 47.59 3bit s LEU 416 CO 0.02 -0.19 0.00 0.00 -1.32 0.00 0.00 176.35 174.86 3bit s ALA 417 N 1.51 0.01 -0.00 5.97 0.00 -0.61 -1.95 121.76 126.69 3bit s ALA 417 Ca -0.08 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 3bit s ALA 417 Cb -0.10 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3bit s ALA 417 CO -0.10 -0.09 0.21 -0.51 0.00 0.00 0.00 175.76 175.27 3bit s ASP 418 N -0.74 -0.06 -0.14 0.00 1.11 -0.51 -1.83 116.67 114.50 3bit s ASP 418 Ca -0.08 -0.09 -0.19 0.00 0.18 0.00 0.00 52.55 52.37 3bit s ASP 418 Cb -0.05 0.25 -0.04 0.00 1.07 0.00 0.00 42.92 44.15 3bit s ASP 418 CO -0.00 -0.40 0.52 -0.89 1.18 0.00 0.00 175.17 175.58 3bit s THR 419 N -1.36 5.14 -0.11 -1.27 2.01 -1.14 -1.55 115.64 117.35 3bit s THR 419 Ca -0.14 1.03 0.00 0.00 0.31 0.00 0.00 61.69 62.89 3bit s THR 419 Cb -0.07 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.61 3bit s THR 419 CO 0.03 0.27 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.44 3bit s VAL 420 N 0.96 1.17 -0.16 3.82 1.01 -0.05 0.27 120.40 127.41 3bit s VAL 420 Ca 0.27 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 3bit s VAL 420 Cb -0.16 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3bit s VAL 420 CO 0.11 0.39 0.46 -1.58 0.00 0.00 0.00 175.10 174.48 3bit s GLN 421 N 1.51 4.25 -0.33 2.72 2.00 -0.13 -0.42 119.66 129.26 3bit s GLN 421 Ca 0.02 0.36 -0.23 0.00 -2.00 0.00 0.00 55.36 53.51 3bit s GLN 421 Cb -0.13 -3.50 0.00 0.00 0.80 0.00 0.00 33.01 30.18 3bit s GLN 421 CO -0.07 0.03 0.75 0.42 -0.50 0.00 0.00 175.29 175.91 3bit s ILE 422 N 1.07 4.81 0.64 -2.34 1.01 0.40 -0.88 121.20 125.91 3bit s ILE 422 Ca 0.23 1.00 -0.17 0.00 0.00 0.00 0.00 60.65 61.71 3bit s ILE 422 Cb -0.15 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 3bit s ILE 422 CO 0.09 -0.29 1.21 -2.84 0.00 0.00 0.00 174.94 173.11 3bit s PRO 423 N 2.92 2.71 0.34 2.79 0.02 -1.26 -0.38 135.00 142.15 3bit s PRO 423 Ca 0.30 1.80 0.06 0.00 0.02 0.00 0.00 61.00 63.18 3bit s PRO 423 Cb -0.14 -1.90 0.72 0.00 0.02 0.00 0.00 34.50 33.20 3bit s PRO 423 CO 0.14 -1.40 1.91 -0.07 -0.33 0.00 0.00 177.00 177.24 3bit h LEU 424 N 0.49 0.73 -9.24 -5.54 4.07 -1.92 -3.18 115.31 100.72 3bit h LEU 424 Ca -0.50 0.02 -0.56 0.00 0.08 0.00 0.00 57.88 56.93 3bit h LEU 424 Cb 1.30 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.88 3bit h LEU 424 CO 0.53 0.43 0.78 -0.62 -1.08 0.00 0.00 178.44 178.48 3bit s ASP 425 N -5.98 7.01 0.39 -0.43 3.68 -1.26 -4.83 116.67 115.26 3bit s ASP 425 Ca -0.10 1.76 0.28 0.00 2.13 0.00 0.00 52.55 56.61 3bit s ASP 425 Cb 0.21 -2.55 1.08 0.00 -1.45 0.00 0.00 42.92 40.20 3bit s ASP 425 CO 0.79 -0.65 1.82 1.05 0.13 0.00 0.00 175.17 178.31 3bit h GLU 426 N 7.74 0.00 0.00 4.34 4.11 -2.02 -2.52 114.58 126.23 3bit h GLU 426 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 3bit h GLU 426 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3bit h GLU 426 CO 0.92 0.00 -0.29 0.25 0.07 0.00 0.00 179.01 179.95 3bit n THR 427 N -2.67 0.38 -3.16 -1.06 -2.24 -1.26 -4.91 114.28 99.36 3bit n THR 427 Ca 0.02 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.19 3bit n THR 427 Cb 0.30 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 3bit n THR 427 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bit s GLU 428 N -3.11 4.39 0.88 -0.78 0.41 -0.95 -5.07 118.70 114.47 3bit s GLU 428 Ca 0.09 0.71 -0.11 0.00 -0.41 0.00 0.00 54.97 55.25 3bit s GLU 428 Cb 0.14 -3.43 0.12 0.00 -1.78 0.00 0.00 34.13 29.18 3bit s GLU 428 CO 0.65 0.13 1.09 -1.25 -0.49 0.00 0.00 175.26 175.39 3bit s PRO 429 N 0.63 1.41 0.37 0.39 0.04 -1.26 -4.67 135.00 131.91 3bit s PRO 429 Ca 0.33 0.96 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 3bit s PRO 429 Cb -0.17 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 3bit s PRO 429 CO 0.15 -2.17 1.29 -2.30 0.04 0.00 0.00 177.00 174.01 3bit n PRO 430 N -3.86 2.09 -3.70 0.56 -0.02 -1.26 -4.58 135.00 124.23 3bit n PRO 430 Ca 0.08 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.94 3bit n PRO 430 Cb 0.54 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 3bit n PRO 430 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3bit s ARG 431 N -2.01 4.16 -0.08 -0.52 0.52 -0.06 -4.96 118.95 116.01 3bit s ARG 431 Ca 0.57 -0.22 -0.30 0.00 -0.52 0.00 0.00 55.73 55.26 3bit s ARG 431 Cb -0.54 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 31.45 3bit s ARG 431 CO 0.61 0.22 1.09 -0.06 0.02 0.00 0.00 175.30 177.19 3bit s PHE 432 N 0.58 3.38 -0.07 -0.53 0.40 -1.26 -0.96 117.98 119.51 3bit s PHE 432 Ca 0.08 1.43 0.14 0.00 -0.60 0.00 0.00 56.93 57.98 3bit s PHE 432 Cb -0.12 -3.29 -0.22 0.00 0.51 0.00 0.00 43.02 39.90 3bit s PHE 432 CO 0.00 -0.71 0.61 1.28 0.70 0.00 0.00 175.22 177.10 3bit n LEU 433 N 5.03 0.75 -4.69 -0.37 4.77 0.14 -4.74 117.00 117.89 3bit n LEU 433 Ca 0.10 0.35 -0.38 0.00 -0.03 0.00 0.00 56.01 56.05 3bit n LEU 433 Cb 0.48 0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 3bit n LEU 433 CO 0.53 0.37 0.18 0.42 -1.33 0.00 0.00 177.39 177.56 3bit s THR 434 N -2.64 5.16 0.00 -5.08 -4.23 -1.21 -4.24 115.64 103.42 3bit s THR 434 Ca -0.05 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 3bit s THR 434 Cb 0.08 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.11 3bit s THR 434 CO 0.82 0.26 0.66 0.59 -0.54 0.00 0.00 174.62 176.42 3bit n ASN 435 N 4.20 0.79 -4.71 3.99 3.02 -1.26 -4.80 115.26 116.49 3bit n ASN 435 Ca -0.07 -1.38 -0.42 0.00 -0.03 0.00 0.00 54.58 52.68 3bit n ASN 435 Cb 0.51 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.67 3bit n ASN 435 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bit n TYR 436 N -0.19 2.47 -1.60 3.10 9.36 -1.26 -4.84 117.16 124.20 3bit n TYR 436 Ca 0.00 0.48 -0.41 0.00 3.32 0.00 0.00 57.90 61.28 3bit n TYR 436 Cb 0.38 -2.47 0.01 0.00 -0.63 0.00 0.00 39.34 36.63 3bit n TYR 436 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 3bit n THR 437 N 0.83 2.47 -0.43 2.97 5.66 -1.26 -4.90 114.28 119.62 3bit n THR 437 Ca 0.06 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 3bit n THR 437 Cb 0.36 -1.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.01 3bit n THR 437 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3bit n LYS 438 N 0.11 1.62 -2.23 1.09 2.85 -1.26 -4.94 118.16 115.40 3bit n LYS 438 Ca 0.10 -1.04 -0.41 0.00 -1.05 0.00 0.00 58.31 55.91 3bit n LYS 438 Cb 0.40 -0.78 -0.03 0.00 -0.65 0.00 0.00 35.03 33.96 3bit n LYS 438 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3bit s ALA 439 N -0.55 3.51 0.19 0.58 0.00 -1.26 -4.89 121.76 119.34 3bit s ALA 439 Ca 0.00 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 3bit s ALA 439 Cb 0.00 -3.47 0.22 0.00 0.00 0.00 0.00 23.12 19.87 3bit s ALA 439 CO 0.00 -0.51 1.71 -0.22 0.00 0.00 0.00 175.76 176.74 3bit h LYS 440 N 5.00 0.23 -0.01 0.00 3.64 -1.97 0.55 116.57 124.01 3bit h LYS 440 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3bit h LYS 440 Cb 1.22 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3bit h LYS 440 CO 0.75 0.15 0.02 0.66 -2.27 0.00 0.00 179.45 178.76 3bit h SER 441 N 0.24 0.00 -0.01 4.20 4.64 -1.93 -1.81 113.55 118.88 3bit h SER 441 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3bit h SER 441 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3bit h SER 441 CO -0.35 0.00 -0.52 0.00 -0.87 0.00 0.00 176.83 175.09 3bit n GLN 442 N -3.32 1.38 -0.03 4.77 1.13 0.12 -4.12 117.38 117.31 3bit n GLN 442 Ca -0.03 -0.64 0.03 0.00 -1.94 0.00 0.00 57.00 54.43 3bit n GLN 442 Cb 0.10 -1.35 0.04 0.00 0.11 0.00 0.00 30.24 29.14 3bit n GLN 442 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3bit n ILE 443 N -0.46 0.28 -3.92 5.09 -6.64 -0.80 -4.95 119.36 107.95 3bit n ILE 443 Ca 0.06 -0.64 -0.36 0.00 -1.77 0.00 0.00 62.75 60.05 3bit n ILE 443 Cb 0.36 0.96 -0.07 0.00 -1.44 0.00 0.00 39.64 39.45 3bit n ILE 443 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3bit s SER 444 N -0.67 6.12 0.05 7.28 0.01 -0.73 -1.44 113.70 124.32 3bit s SER 444 Ca 0.09 0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.70 3bit s SER 444 Cb 0.06 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 3bit s SER 444 CO 0.09 0.32 -0.08 -0.36 0.41 0.00 0.00 173.24 173.62 3bit s PHE 445 N -0.50 0.70 -0.06 2.43 0.08 0.63 -4.97 117.98 116.29 3bit s PHE 445 Ca 0.12 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.65 3bit s PHE 445 Cb -0.12 -0.42 0.02 0.00 -0.57 0.00 0.00 43.02 41.94 3bit s PHE 445 CO 0.02 -0.08 -0.05 0.71 -0.10 0.00 0.00 175.22 175.72 3bit s TYR 446 N -1.48 0.91 0.00 0.36 1.51 -1.26 -0.51 117.35 116.88 3bit s TYR 446 Ca -0.09 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 3bit s TYR 446 Cb -0.09 -0.83 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 3bit s TYR 446 CO 0.00 -0.28 0.21 1.19 -1.11 0.00 0.00 175.55 175.56