#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9h s SER 2 N 0.00 0.47 0.40 1.61 0.15 -1.26 -5.13 113.70 109.94 2e9h s SER 2 Ca 0.00 -0.05 -0.26 0.00 0.70 0.00 0.00 55.95 56.34 2e9h s SER 2 Cb 0.00 -0.21 -0.10 0.00 -1.71 0.00 0.00 66.02 63.99 2e9h s SER 2 CO 0.00 -0.07 1.31 -1.54 1.20 0.00 0.00 173.24 174.14 2e9h n SER 3 N 3.90 2.79 0.00 5.45 3.41 -1.26 -3.81 113.62 124.10 2e9h n SER 3 Ca -0.24 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 2e9h n SER 3 Cb 0.52 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2e9h n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9h n GLY 4 N 0.75 3.95 3.57 5.00 0.00 -1.26 -5.09 105.19 112.11 2e9h n GLY 4 Ca 0.05 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 2e9h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9h s SER 5 N 0.00 5.57 1.16 1.61 0.01 -1.25 -5.09 113.70 115.70 2e9h s SER 5 Ca 0.00 -0.02 -0.13 0.00 1.31 0.00 0.00 55.95 57.12 2e9h s SER 5 Cb 0.00 -1.98 0.28 0.00 0.21 0.00 0.00 66.02 64.53 2e9h s SER 5 CO 0.00 0.07 1.03 -0.44 0.41 0.00 0.00 173.24 174.32 2e9h s SER 6 N 0.97 1.04 0.00 2.44 0.01 -1.26 -4.99 113.70 111.92 2e9h s SER 6 Ca 0.05 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2e9h s SER 6 Cb -0.14 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2e9h s SER 6 CO 0.03 -4.16 0.00 0.61 0.41 0.00 0.00 173.24 170.13 2e9h n GLY 7 N 0.68 -1.14 3.60 3.44 0.00 -1.26 -4.98 105.19 105.53 2e9h n GLY 7 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2e9h n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2e9h s MET 8 N 0.00 0.75 0.24 1.61 0.00 -1.26 -5.12 119.30 115.52 2e9h s MET 8 Ca 0.00 0.63 -0.31 0.00 0.00 0.00 0.00 55.69 56.01 2e9h s MET 8 Cb 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 34.83 35.08 2e9h s MET 8 CO 0.00 -0.14 1.56 -1.54 0.00 0.00 0.00 175.02 174.90 2e9h s SER 9 N -0.16 6.50 0.18 -1.18 1.04 -1.26 -4.27 113.70 114.55 2e9h s SER 9 Ca -0.01 2.79 0.04 0.00 0.48 0.00 0.00 55.95 59.25 2e9h s SER 9 Cb -0.03 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 2e9h s SER 9 CO 0.01 -0.84 0.23 0.68 0.98 0.00 0.00 173.24 174.29 2e9h s VAL 10 N 0.37 4.89 0.47 5.02 -7.23 0.32 -4.75 120.40 119.49 2e9h s VAL 10 Ca 0.65 -0.96 -0.20 0.00 -1.81 0.00 0.00 61.98 59.65 2e9h s VAL 10 Cb -0.45 -3.55 -0.12 0.00 0.56 0.00 0.00 36.38 32.81 2e9h s VAL 10 CO 0.41 -0.16 0.35 0.59 -0.31 0.00 0.00 175.10 175.98 2e9h n ASN 11 N -0.66 -1.72 -0.34 4.85 4.13 -1.26 -2.52 115.26 117.73 2e9h n ASN 11 Ca -0.08 0.81 0.18 0.00 1.68 0.00 0.00 54.58 57.17 2e9h n ASN 11 Cb 0.55 -1.05 0.40 0.00 -1.54 0.00 0.00 39.78 38.15 2e9h n ASN 11 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2e9h h VAL 12 N 0.44 0.53 -3.17 2.41 2.07 -1.90 -3.37 116.25 113.27 2e9h h VAL 12 Ca -0.41 -0.19 -0.66 0.00 0.82 0.00 0.00 66.70 66.25 2e9h h VAL 12 Cb 1.42 -0.08 -0.34 0.00 -1.52 0.00 0.00 31.29 30.77 2e9h h VAL 12 CO 0.48 0.10 -0.86 0.20 0.02 0.00 0.00 177.57 177.51 2e9h s ASN 13 N -5.21 3.05 0.56 0.57 0.01 -1.26 -4.99 114.94 107.67 2e9h s ASN 13 Ca -0.10 -0.60 0.25 0.00 -0.71 0.00 0.00 52.86 51.70 2e9h s ASN 13 Cb 0.27 -1.42 1.54 0.00 0.41 0.00 0.00 41.25 42.05 2e9h s ASN 13 CO 0.80 0.05 2.11 0.03 -1.51 0.00 0.00 177.10 178.58 2e9h h ARG 14 N 7.52 0.00 -0.91 -0.60 2.47 -1.97 -1.53 114.38 119.36 2e9h h ARG 14 Ca -0.36 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.44 2e9h h ARG 14 Cb 1.17 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.42 2e9h h ARG 14 CO 0.57 0.00 0.57 1.03 0.56 0.00 0.00 179.97 182.70 2e9h h SER 15 N 0.00 0.88 -3.41 7.04 0.87 -1.94 -3.41 113.55 113.58 2e9h h SER 15 Ca 0.09 0.03 -0.53 0.00 -1.23 0.00 0.00 61.79 60.14 2e9h h SER 15 Cb 0.41 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2e9h h SER 15 CO -0.00 0.54 -0.11 0.54 -0.53 0.00 0.00 176.83 177.27 2e9h s VAL 16 N -6.03 4.94 0.00 2.23 0.11 -0.58 -5.00 120.40 116.07 2e9h s VAL 16 Ca -0.12 0.40 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2e9h s VAL 16 Cb 0.20 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 2e9h s VAL 16 CO 0.80 -0.14 0.00 -1.20 -3.33 0.00 0.00 175.10 171.23 2e9h n SER 17 N -0.34 3.86 -3.73 3.54 7.64 -1.26 -4.83 113.62 118.49 2e9h n SER 17 Ca 0.00 0.00 -0.48 0.00 1.01 0.00 0.00 58.87 59.40 2e9h n SER 17 Cb 0.53 0.28 -0.11 0.00 -1.01 0.00 0.00 64.21 63.90 2e9h n SER 17 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2e9h n ASP 18 N -1.91 0.55 -0.01 6.43 9.92 -1.26 -4.72 116.55 125.55 2e9h n ASP 18 Ca 0.00 0.48 0.21 0.00 -0.53 0.00 0.00 54.79 54.95 2e9h n ASP 18 Cb 0.41 -0.78 0.70 0.00 -0.64 0.00 0.00 41.12 40.80 2e9h n ASP 18 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 2e9h h GLN 19 N 8.42 0.00 -1.16 -1.24 3.07 -2.03 -1.74 115.11 120.43 2e9h h GLN 19 Ca -0.08 0.00 0.40 0.00 0.09 0.00 0.00 58.65 59.06 2e9h h GLN 19 Cb 1.21 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 28.62 2e9h h GLN 19 CO 1.01 0.00 0.70 0.74 0.09 0.00 0.00 178.83 181.37 2e9h h PHE 20 N 0.00 0.70 0.00 0.06 0.04 -2.01 -3.40 116.94 112.33 2e9h h PHE 20 Ca 0.26 0.03 -0.41 0.00 2.80 0.00 0.00 57.97 60.64 2e9h h PHE 20 Cb 1.05 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 38.97 2e9h h PHE 20 CO 0.00 -0.26 1.23 0.98 -0.60 0.00 0.00 178.31 179.65 2e9h n TYR 21 N -4.92 0.51 0.00 -0.55 4.19 -0.66 -4.80 117.16 110.93 2e9h n TYR 21 Ca 0.36 0.35 0.00 0.00 3.31 0.00 0.00 57.90 61.91 2e9h n TYR 21 Cb 1.28 -1.74 0.00 0.00 0.49 0.00 0.00 39.34 39.37 2e9h n TYR 21 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 2e9h n ARG 22 N 6.11 0.00 -1.68 2.98 0.00 -1.26 -4.63 116.66 118.17 2e9h n ARG 22 Ca 0.47 0.61 -0.43 0.00 -0.00 0.00 0.00 57.85 58.51 2e9h n ARG 22 Cb 0.01 -1.46 -0.00 0.00 0.00 0.00 0.00 32.46 31.01 2e9h n ARG 22 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2e9h n TYR 23 N -2.17 2.08 -4.16 -0.14 4.01 -1.26 -5.00 117.16 110.51 2e9h n TYR 23 Ca 0.00 0.57 -0.11 0.00 -0.16 0.00 0.00 57.90 58.19 2e9h n TYR 23 Cb 0.00 -2.38 -0.09 0.00 -0.31 0.00 0.00 39.34 36.56 2e9h n TYR 23 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2e9h s LYS 24 N -1.88 1.25 -0.14 -0.72 -0.14 -1.26 -4.19 119.74 112.66 2e9h s LYS 24 Ca 0.57 -1.56 -0.10 0.00 -1.36 0.00 0.00 55.97 53.52 2e9h s LYS 24 Cb -0.58 0.30 0.04 0.00 -1.68 0.00 0.00 37.83 35.92 2e9h s LYS 24 CO 0.61 -0.43 0.35 0.00 -0.76 0.00 0.00 175.35 175.12 2e9h s MET 25 N -4.13 0.37 0.05 1.68 0.23 -1.05 -4.88 119.30 111.58 2e9h s MET 25 Ca 0.36 0.58 -0.31 0.00 -1.03 0.00 0.00 55.69 55.29 2e9h s MET 25 Cb 0.06 0.09 -0.07 0.00 -1.53 0.00 0.00 34.83 33.38 2e9h s MET 25 CO 0.11 -0.10 1.41 -1.25 -2.03 0.00 0.00 175.02 173.16 2e9h s PRO 26 N 0.69 4.30 -0.06 3.16 0.04 -1.26 -0.53 135.00 141.34 2e9h s PRO 26 Ca -0.04 2.03 -0.37 0.00 0.04 0.00 0.00 61.00 62.66 2e9h s PRO 26 Cb -0.05 -3.44 -0.15 0.00 0.04 0.00 0.00 34.50 30.90 2e9h s PRO 26 CO -0.05 -0.52 1.65 0.54 0.04 0.00 0.00 177.00 178.66 2e9h n ARG 27 N 4.78 1.57 -1.70 4.56 5.12 -1.26 -4.75 116.66 124.98 2e9h n ARG 27 Ca 0.12 0.57 -0.36 0.00 -1.93 0.00 0.00 57.85 56.26 2e9h n ARG 27 Cb 0.43 -2.30 0.07 0.00 -1.16 0.00 0.00 32.46 29.50 2e9h n ARG 27 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2e9h s LEU 28 N 2.44 3.52 0.20 0.55 0.05 -1.26 -4.99 118.68 119.19 2e9h s LEU 28 Ca 0.90 2.52 0.10 0.00 0.05 0.00 0.00 54.13 57.71 2e9h s LEU 28 Cb -0.88 -4.61 -0.04 0.00 -2.05 0.00 0.00 46.19 38.61 2e9h s LEU 28 CO 0.53 -2.02 -0.17 -0.63 -0.55 0.00 0.00 176.35 173.51 2e9h s ILE 29 N -1.58 2.73 -0.11 1.48 1.01 -1.26 -4.95 121.20 118.51 2e9h s ILE 29 Ca 0.80 -1.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.47 2e9h s ILE 29 Cb -0.34 -2.35 0.06 0.00 0.01 0.00 0.00 42.46 39.83 2e9h s ILE 29 CO 0.40 -0.16 0.18 0.00 0.00 0.00 0.00 174.94 175.36 2e9h s ALA 30 N -1.83 -0.21 -0.04 9.38 0.00 -1.26 -3.35 121.76 124.46 2e9h s ALA 30 Ca 0.24 0.53 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 2e9h s ALA 30 Cb -0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2e9h s ALA 30 CO 0.13 -0.70 0.17 0.21 0.00 0.00 0.00 175.76 175.57 2e9h s LYS 31 N 2.31 3.41 0.03 0.00 2.20 -0.38 -4.72 119.74 122.59 2e9h s LYS 31 Ca 0.03 -0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.37 2e9h s LYS 31 Cb -0.13 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2e9h s LYS 31 CO -0.07 0.70 -0.06 0.08 -0.36 0.00 0.00 175.35 175.64 2e9h s VAL 32 N -1.25 0.39 0.03 4.02 1.01 -1.26 -0.27 120.40 123.07 2e9h s VAL 32 Ca 0.24 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2e9h s VAL 32 Cb -0.12 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2e9h s VAL 32 CO 0.15 -0.30 -0.12 -1.61 0.00 0.00 0.00 175.10 173.22 2e9h s GLU 33 N -1.19 0.85 0.38 2.72 0.41 -1.25 -5.02 118.70 115.60 2e9h s GLU 33 Ca -0.09 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.82 2e9h s GLU 33 Cb -0.08 -0.82 0.00 0.00 -1.78 0.00 0.00 34.13 31.45 2e9h s GLU 33 CO -0.00 0.21 0.00 0.41 -0.49 0.00 0.00 175.26 175.39 2e9h n GLY 34 N 2.09 -1.04 2.80 -1.39 0.00 -1.26 -3.89 105.19 102.50 2e9h n GLY 34 Ca -0.17 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 2e9h n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2e9h s LYS 35 N -1.43 0.25 0.00 1.61 2.20 -1.26 -4.57 119.74 116.54 2e9h s LYS 35 Ca 0.00 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 2e9h s LYS 35 Cb 0.00 -0.93 0.00 0.00 -1.51 0.00 0.00 37.83 35.39 2e9h s LYS 35 CO 0.00 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 2e9h n GLY 36 N 5.33 1.70 1.66 5.54 0.00 -1.26 -4.76 105.19 113.39 2e9h n GLY 36 Ca -0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2e9h n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e9h n ASN 37 N 1.56 5.22 0.00 1.61 5.15 -1.26 -4.46 115.26 123.08 2e9h n ASN 37 Ca 0.00 -2.76 0.00 0.00 -0.60 0.00 0.00 54.58 51.22 2e9h n ASN 37 Cb 0.00 -0.93 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2e9h n GLY 38 N 0.46 1.79 3.68 8.20 0.00 -1.26 -5.01 105.19 113.04 2e9h n GLY 38 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2e9h n GLY 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2e9h s ILE 39 N -2.00 3.92 -0.04 -0.61 2.07 -1.25 -4.83 121.20 118.45 2e9h s ILE 39 Ca 0.00 1.25 -0.04 0.00 -1.41 0.00 0.00 60.65 60.45 2e9h s ILE 39 Cb 0.00 -3.80 0.01 0.00 0.13 0.00 0.00 42.46 38.80 2e9h s ILE 39 CO 0.00 -0.02 0.11 -1.59 -1.91 0.00 0.00 174.94 171.52 2e9h s LYS 40 N 2.61 0.12 0.08 3.50 -2.85 -1.26 -3.78 119.74 118.17 2e9h s LYS 40 Ca 0.61 0.15 -0.20 0.00 -1.00 0.00 0.00 55.97 55.53 2e9h s LYS 40 Cb -0.29 0.06 -0.07 0.00 -2.06 0.00 0.00 37.83 35.47 2e9h s LYS 40 CO 0.24 -0.02 0.59 0.99 0.10 0.00 0.00 175.35 177.26 2e9h s THR 41 N 0.07 4.70 -0.25 3.79 2.01 -0.80 -3.89 115.64 121.26 2e9h s THR 41 Ca -0.00 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.28 2e9h s THR 41 Cb -0.01 -3.93 0.07 0.00 0.01 0.00 0.00 72.50 68.65 2e9h s THR 41 CO 0.00 0.55 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.79 2e9h s VAL 42 N -1.11 1.35 -1.17 3.82 1.01 0.63 -0.28 120.40 124.65 2e9h s VAL 42 Ca 0.30 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 60.80 2e9h s VAL 42 Cb -0.20 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2e9h s VAL 42 CO 0.20 -0.27 1.92 -0.38 0.00 0.00 0.00 175.10 176.56 2e9h n ILE 43 N 4.71 2.67 0.01 2.22 5.41 -1.08 -1.25 119.36 132.05 2e9h n ILE 43 Ca -0.08 -2.63 -0.12 0.00 1.00 0.00 0.00 62.75 60.92 2e9h n ILE 43 Cb 0.44 -2.31 -0.05 0.00 -0.71 0.00 0.00 39.64 37.00 2e9h n ILE 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2e9h h VAL 44 N 5.33 0.22 0.00 1.39 2.07 -1.82 -1.26 116.25 122.19 2e9h h VAL 44 Ca 0.38 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.84 2e9h h VAL 44 Cb 0.82 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2e9h h VAL 44 CO 1.54 0.00 -0.11 -3.20 0.02 0.00 0.00 177.57 175.82 2e9h n ASN 45 N -5.43 5.11 0.03 0.57 5.15 -1.26 -4.11 115.26 115.32 2e9h n ASN 45 Ca -0.04 -2.38 -0.22 0.00 -0.60 0.00 0.00 54.58 51.34 2e9h n ASN 45 Cb 0.34 -1.17 -0.14 0.00 -0.53 0.00 0.00 39.78 38.28 2e9h n ASN 45 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2e9h h MET 46 N 1.74 0.28 -0.10 1.20 1.85 -1.52 -3.28 114.93 115.10 2e9h h MET 46 Ca 0.06 -0.47 -0.19 0.00 -0.61 0.00 0.00 59.70 58.48 2e9h h MET 46 Cb 1.12 0.18 0.01 0.00 0.43 0.00 0.00 31.60 33.33 2e9h h MET 46 CO 0.08 1.23 -0.68 0.28 -0.40 0.00 0.00 176.91 177.41 2e9h h VAL 47 N -0.26 1.32 0.22 -5.77 2.07 -1.81 -2.70 116.25 109.32 2e9h h VAL 47 Ca -0.28 -1.95 0.01 0.00 0.82 0.00 0.00 66.70 65.29 2e9h h VAL 47 Cb 1.79 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 33.68 2e9h h VAL 47 CO 0.09 0.60 -0.52 0.44 0.02 0.00 0.00 177.57 178.20 2e9h h ASP 48 N 0.30 -1.53 -0.95 0.57 3.32 -1.84 -0.51 116.42 115.77 2e9h h ASP 48 Ca -0.06 0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.19 2e9h h ASP 48 Cb 1.33 0.55 -0.06 0.00 0.22 0.00 0.00 39.33 41.37 2e9h h ASP 48 CO 0.14 -0.59 0.62 -0.37 -1.72 0.00 0.00 179.24 177.32 2e9h h VAL 49 N -0.82 1.14 -0.08 -1.35 -1.51 -1.67 -2.60 116.25 109.37 2e9h h VAL 49 Ca -0.02 -0.41 0.04 0.00 -1.23 0.00 0.00 66.70 65.08 2e9h h VAL 49 Cb 0.79 -0.14 -0.05 0.00 -2.13 0.00 0.00 31.29 29.76 2e9h h VAL 49 CO -0.23 0.22 -0.20 0.00 -1.23 0.00 0.00 177.57 176.12 2e9h h ALA 50 N 1.40 -0.20 -0.84 5.19 0.00 -1.05 -1.84 119.26 121.93 2e9h h ALA 50 Ca 0.39 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.41 2e9h h ALA 50 Cb 0.04 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2e9h h ALA 50 CO -0.13 -0.68 0.49 0.87 0.00 0.00 0.00 179.25 179.80 2e9h h LYS 51 N -0.28 0.82 -0.67 0.00 6.56 -0.78 -0.73 116.57 121.48 2e9h h LYS 51 Ca 0.08 -0.05 0.05 0.00 -1.06 0.00 0.00 60.65 59.67 2e9h h LYS 51 Cb 0.40 -0.19 -0.04 0.00 -0.57 0.00 0.00 32.23 31.84 2e9h h LYS 51 CO -0.24 0.54 0.44 0.00 -2.06 0.00 0.00 179.45 178.14 2e9h h ALA 52 N 1.44 1.67 -0.20 3.86 0.00 -1.00 0.81 119.26 125.84 2e9h h ALA 52 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2e9h h ALA 52 Cb 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2e9h h ALA 52 CO -0.22 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2e9h n LEU 53 N -4.47 1.77 -2.30 0.00 4.77 -0.35 -4.86 117.00 111.57 2e9h n LEU 53 Ca 0.09 -0.89 -0.12 0.00 -0.03 0.00 0.00 56.01 55.05 2e9h n LEU 53 Cb 0.17 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 2e9h n LEU 53 CO 0.34 0.33 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.38 2e9h n ASN 54 N 0.18 -3.81 -3.98 -1.43 2.85 0.28 -4.93 115.26 104.42 2e9h n ASN 54 Ca 0.08 0.21 -0.09 0.00 -0.11 0.00 0.00 54.58 54.67 2e9h n ASN 54 Cb 0.35 -3.28 -0.11 0.00 1.24 0.00 0.00 39.78 37.98 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2e9h s ARG 55 N -4.77 0.39 0.50 1.20 0.52 -0.80 -5.02 118.95 110.96 2e9h s ARG 55 Ca 0.00 -0.67 -0.21 0.00 -0.52 0.00 0.00 55.73 54.32 2e9h s ARG 55 Cb 0.00 0.14 -0.07 0.00 0.52 0.00 0.00 34.95 35.55 2e9h s ARG 55 CO 0.00 -0.07 1.15 -1.25 0.02 0.00 0.00 175.30 175.14 2e9h s PRO 56 N -1.85 3.54 0.00 3.54 0.04 -1.26 -3.47 135.00 135.55 2e9h s PRO 56 Ca -0.12 1.69 0.14 0.00 0.04 0.00 0.00 61.00 62.75 2e9h s PRO 56 Cb -0.07 -2.19 0.63 0.00 0.04 0.00 0.00 34.50 32.91 2e9h s PRO 56 CO -0.02 -0.71 1.44 -0.35 0.04 0.00 0.00 177.00 177.40 2e9h n PRO 57 N -0.92 0.04 0.18 0.56 -0.04 -1.26 -2.65 135.00 130.92 2e9h n PRO 57 Ca 0.10 0.23 0.03 0.00 -0.04 0.00 0.00 63.50 63.82 2e9h n PRO 57 Cb 0.50 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.79 2e9h n PRO 57 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2e9h h THR 58 N 0.00 1.13 0.29 0.52 1.35 -1.94 -0.05 112.91 114.21 2e9h h THR 58 Ca 0.00 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.34 2e9h h THR 58 Cb 0.22 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2e9h h THR 58 CO 0.00 0.41 -0.14 1.88 -0.25 0.00 0.00 175.52 177.42 2e9h h TYR 59 N 0.00 -0.36 0.08 4.73 0.05 -1.90 -2.99 116.97 116.58 2e9h h TYR 59 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2e9h h TYR 59 Cb 0.82 0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.68 2e9h h TYR 59 CO 0.00 -0.01 -0.04 -1.00 -1.05 0.00 0.00 178.16 176.07 2e9h h PRO 60 N -0.86 -0.10 -0.79 4.88 0.13 -1.73 -3.00 132.00 130.53 2e9h h PRO 60 Ca -0.04 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 65.28 2e9h h PRO 60 Cb 0.52 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.53 2e9h h PRO 60 CO 0.07 0.35 0.00 1.15 -0.23 0.00 0.00 178.00 179.34 2e9h h THR 61 N -0.59 0.30 -0.61 1.56 2.02 -1.14 0.44 112.91 114.89 2e9h h THR 61 Ca -0.01 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 2e9h h THR 61 Cb 0.50 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 2e9h h THR 61 CO 0.02 0.02 0.23 0.11 0.37 0.00 0.00 175.52 176.27 2e9h h LYS 62 N 0.09 0.89 0.21 6.66 1.79 -1.57 -3.02 116.57 121.62 2e9h h LYS 62 Ca 0.43 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.77 2e9h h LYS 62 Cb 0.78 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 2e9h h LYS 62 CO -0.70 0.73 -0.30 -0.92 -1.08 0.00 0.00 179.45 177.18 2e9h h TYR 63 N 0.87 -0.80 -0.63 -1.35 3.20 0.01 -2.13 116.97 116.13 2e9h h TYR 63 Ca 0.21 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.20 2e9h h TYR 63 Cb 0.18 0.32 -0.12 0.00 1.54 0.00 0.00 36.73 38.66 2e9h h TYR 63 CO 0.01 -0.42 -0.35 0.74 -1.64 0.00 0.00 178.16 176.51 2e9h h PHE 64 N -0.57 -0.96 -0.95 -3.82 0.04 -1.29 0.23 116.94 109.61 2e9h h PHE 64 Ca 0.01 0.08 0.11 0.00 2.80 0.00 0.00 57.97 60.96 2e9h h PHE 64 Cb 0.56 0.52 -0.07 0.00 2.20 0.00 0.00 35.95 39.15 2e9h h PHE 64 CO -0.22 -0.39 0.61 0.78 -0.60 0.00 0.00 178.31 178.49 2e9h h GLY 65 N -0.15 1.45 0.83 -1.45 0.00 -1.48 0.22 103.07 102.51 2e9h h GLY 65 Ca 0.24 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2e9h h GLY 65 CO -0.71 0.18 -0.24 0.00 0.00 0.00 0.00 176.54 175.77 2e9h h GLU 67 N -0.85 0.48 0.00 0.00 5.08 -0.83 -2.33 114.58 116.14 2e9h h GLU 67 Ca -0.07 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2e9h h GLU 67 Cb 0.59 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2e9h h GLU 67 CO 0.11 0.35 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.02 2e9h h LEU 68 N 0.47 0.00 -0.35 1.33 3.38 -0.56 -3.47 115.31 116.10 2e9h h LEU 68 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 2e9h h LEU 68 Cb -0.01 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.77 2e9h h LEU 68 CO -0.03 0.38 -0.25 0.61 0.09 0.00 0.00 178.44 179.24 2e9h n GLY 69 N 0.28 0.28 3.60 0.83 0.00 0.45 -5.04 105.19 105.58 2e9h n GLY 69 Ca -0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 2e9h n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e9h s ALA 70 N -2.92 3.28 0.32 4.61 0.00 -0.41 -5.02 121.76 121.61 2e9h s ALA 70 Ca 0.17 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 2e9h s ALA 70 Cb -0.07 0.42 -0.06 0.00 0.00 0.00 0.00 23.12 23.40 2e9h s ALA 70 CO 0.20 -0.20 0.64 -1.14 0.00 0.00 0.00 175.76 175.27 2e9h s GLN 71 N -3.80 3.75 0.09 0.00 0.74 -1.26 -4.63 119.66 114.55 2e9h s GLN 71 Ca 0.21 0.28 0.04 0.00 0.05 0.00 0.00 55.36 55.95 2e9h s GLN 71 Cb 0.04 -2.54 -0.03 0.00 1.10 0.00 0.00 33.01 31.58 2e9h s GLN 71 CO 0.11 0.14 -0.11 0.95 -0.55 0.00 0.00 175.29 175.83 2e9h s THR 72 N -2.12 1.03 -0.10 -0.34 -4.23 -1.26 -1.01 115.64 107.61 2e9h s THR 72 Ca 0.48 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 2e9h s THR 72 Cb -0.11 -1.30 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 2e9h s THR 72 CO 0.27 -0.46 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.67 2e9h s GLN 73 N -2.52 3.09 -0.22 3.99 -0.21 -0.06 -4.98 119.66 118.74 2e9h s GLN 73 Ca 0.04 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 54.78 2e9h s GLN 73 Cb -0.05 -2.58 0.04 0.00 1.00 0.00 0.00 33.01 31.42 2e9h s GLN 73 CO 0.01 0.38 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.36 2e9h s PHE 74 N -0.08 3.02 -0.54 0.91 0.40 -1.26 -2.76 117.98 117.67 2e9h s PHE 74 Ca -0.01 -1.92 0.04 0.00 -0.60 0.00 0.00 56.93 54.43 2e9h s PHE 74 Cb -0.14 -1.94 0.16 0.00 0.51 0.00 0.00 43.02 41.62 2e9h s PHE 74 CO 0.03 -0.83 0.39 0.34 0.70 0.00 0.00 175.22 175.86 2e9h s ASP 75 N 1.21 3.21 0.45 1.36 2.15 -1.08 -4.95 116.67 119.02 2e9h s ASP 75 Ca -0.01 -3.35 0.17 0.00 0.43 0.00 0.00 52.55 49.78 2e9h s ASP 75 Cb -0.16 -1.04 1.10 0.00 -0.30 0.00 0.00 42.92 42.52 2e9h s ASP 75 CO -0.09 -0.15 1.95 0.58 -0.17 0.00 0.00 175.17 177.30 2e9h h VAL 76 N 4.61 0.82 -0.40 1.11 2.07 -1.94 0.37 116.25 122.89 2e9h h VAL 76 Ca 0.18 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.66 2e9h h VAL 76 Cb 0.84 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 2e9h h VAL 76 CO 0.54 0.06 -0.24 0.50 0.02 0.00 0.00 177.57 178.45 2e9h h LYS 77 N 0.34 -0.16 -0.42 1.57 1.63 -1.96 -1.83 116.57 115.74 2e9h h LYS 77 Ca 0.32 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2e9h h LYS 77 Cb 0.76 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 2e9h h LYS 77 CO -0.08 -0.11 0.00 0.09 -3.45 0.00 0.00 179.45 175.90 2e9h n ASN 78 N -5.39 3.94 -4.38 4.20 3.02 -0.82 -4.95 115.26 110.87 2e9h n ASN 78 Ca 0.02 -2.53 -0.40 0.00 -0.03 0.00 0.00 54.58 51.65 2e9h n ASN 78 Cb 0.31 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 2e9h n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2e9h n ASP 79 N 0.35 -2.39 -4.57 6.41 9.92 0.12 -4.90 116.55 121.50 2e9h n ASP 79 Ca 0.20 -1.12 -0.35 0.00 -0.53 0.00 0.00 54.79 52.99 2e9h n ASP 79 Cb 0.76 -2.02 -0.11 0.00 -0.64 0.00 0.00 41.12 39.11 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e9h s ARG 80 N -7.08 3.85 -0.15 -1.24 1.70 -0.90 -4.87 118.95 110.27 2e9h s ARG 80 Ca 0.79 -0.41 0.02 0.00 -0.47 0.00 0.00 55.73 55.66 2e9h s ARG 80 Cb -0.45 -3.17 0.01 0.00 -0.57 0.00 0.00 34.95 30.77 2e9h s ARG 80 CO 0.97 0.18 -0.22 0.71 -1.08 0.00 0.00 175.30 175.86 2e9h s TYR 81 N 0.61 2.69 0.04 5.89 1.51 -1.26 -2.64 117.35 124.18 2e9h s TYR 81 Ca 0.02 -1.40 0.08 0.00 -1.01 0.00 0.00 57.07 54.76 2e9h s TYR 81 Cb -0.13 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 2e9h s TYR 81 CO 0.02 -0.65 -0.24 0.42 -1.11 0.00 0.00 175.55 173.99 2e9h s ILE 82 N 0.90 2.34 -0.25 2.71 1.01 -1.11 -2.64 121.20 124.15 2e9h s ILE 82 Ca -0.05 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.31 2e9h s ILE 82 Cb -0.15 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.47 2e9h s ILE 82 CO -0.04 0.38 -0.01 -0.69 0.00 0.00 0.00 174.94 174.58 2e9h s VAL 83 N -0.82 1.36 0.19 2.92 1.01 0.62 -0.88 120.40 124.79 2e9h s VAL 83 Ca 0.12 -1.26 -0.31 0.00 0.00 0.00 0.00 61.98 60.54 2e9h s VAL 83 Cb -0.10 -1.75 -0.16 0.00 0.00 0.00 0.00 36.38 34.37 2e9h s VAL 83 CO 0.03 -0.25 0.95 0.59 0.00 0.00 0.00 175.10 176.42 2e9h n ASN 84 N 4.71 0.52 0.00 3.32 3.02 -0.18 -2.52 115.26 124.14 2e9h n ASN 84 Ca -0.09 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 2e9h n ASN 84 Cb 0.44 -1.13 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e9h n GLY 85 N 1.76 2.31 3.65 7.41 0.00 -1.25 -4.70 105.19 114.37 2e9h n GLY 85 Ca 0.15 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 2e9h n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9h s SER 86 N 0.00 6.69 0.00 1.61 0.15 -1.26 -1.91 113.70 118.98 2e9h s SER 86 Ca 0.00 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2e9h s SER 86 Cb 0.00 -2.36 -0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2e9h s SER 86 CO 0.00 -0.35 -0.01 -1.00 1.20 0.00 0.00 173.24 173.08 2e9h s HIS 87 N 2.27 0.09 -0.04 3.44 3.76 -1.26 -5.00 115.29 118.55 2e9h s HIS 87 Ca 0.29 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 55.00 2e9h s HIS 87 Cb -0.16 -0.06 -0.05 0.00 1.11 0.00 0.00 32.58 33.42 2e9h s HIS 87 CO 0.09 -0.03 0.33 -1.83 -0.85 0.00 0.00 174.74 172.46 2e9h s GLU 88 N -0.21 3.78 0.34 1.40 -1.05 -1.26 -4.89 118.70 116.81 2e9h s GLU 88 Ca -0.02 0.25 0.14 0.00 -0.15 0.00 0.00 54.97 55.19 2e9h s GLU 88 Cb -0.02 -3.21 1.13 0.00 -0.44 0.00 0.00 34.13 31.59 2e9h s GLU 88 CO -0.00 0.71 1.55 0.00 0.95 0.00 0.00 175.26 178.47 2e9h n ALA 89 N 1.89 0.83 -0.05 -0.84 0.00 -1.26 0.42 120.51 121.50 2e9h n ALA 89 Ca -0.16 1.02 -0.08 0.00 0.00 0.00 0.00 53.44 54.23 2e9h n ALA 89 Cb 0.53 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 2e9h n ALA 89 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2e9h h ASN 90 N 0.00 -0.57 0.39 0.00 -0.73 -1.93 -0.20 115.58 112.53 2e9h h ASN 90 Ca 0.75 0.12 -0.01 0.00 1.87 0.00 0.00 56.30 59.03 2e9h h ASN 90 Cb 1.87 0.29 -0.01 0.00 0.27 0.00 0.00 38.32 40.74 2e9h h ASN 90 CO -0.82 -0.22 -0.28 0.50 -0.37 0.00 0.00 177.43 176.25 2e9h h LYS 91 N -0.17 -0.63 -0.76 6.67 1.63 -0.42 -0.64 116.57 122.26 2e9h h LYS 91 Ca 0.14 0.04 0.17 0.00 -0.85 0.00 0.00 60.65 60.15 2e9h h LYS 91 Cb 0.37 0.14 -0.11 0.00 -0.60 0.00 0.00 32.23 32.04 2e9h h LYS 91 CO -0.35 -0.42 0.21 -0.07 -3.45 0.00 0.00 179.45 175.37 2e9h h LEU 92 N -0.65 0.05 -0.68 5.20 3.38 -1.11 0.18 115.31 121.69 2e9h h LEU 92 Ca -0.04 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2e9h h LEU 92 Cb 0.56 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2e9h h LEU 92 CO 0.01 -0.03 0.22 -0.61 0.09 0.00 0.00 178.44 178.12 2e9h h GLN 93 N 0.29 1.05 -0.15 1.13 -0.00 -0.70 0.24 115.11 116.97 2e9h h GLN 93 Ca 0.43 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.65 58.85 2e9h h GLN 93 Cb 0.75 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 28.07 2e9h h GLN 93 CO -0.51 0.90 0.05 0.22 0.00 0.00 0.00 178.83 179.49 2e9h h ASP 94 N 0.98 0.21 0.12 -0.69 1.82 0.71 -2.54 116.42 117.04 2e9h h ASP 94 Ca 0.22 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2e9h h ASP 94 Cb 0.28 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.24 2e9h h ASP 94 CO -0.01 0.35 -0.06 0.24 -1.61 0.00 0.00 179.24 178.15 2e9h h MET 95 N 0.06 -0.16 -1.15 0.28 2.86 -0.64 -3.02 114.93 113.17 2e9h h MET 95 Ca 0.05 0.01 0.33 0.00 -2.06 0.00 0.00 59.70 58.03 2e9h h MET 95 Cb 0.21 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 31.81 2e9h h MET 95 CO -0.00 0.18 0.75 1.25 1.06 0.00 0.00 176.91 180.15 2e9h h LEU 96 N -0.52 0.33 -0.81 1.22 5.85 -0.55 -1.16 115.31 119.67 2e9h h LEU 96 Ca -0.02 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.90 2e9h h LEU 96 Cb 0.42 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.36 2e9h h LEU 96 CO 0.03 -0.00 -0.44 -0.78 -0.34 0.00 0.00 178.44 176.90 2e9h h ASP 97 N 0.25 -1.59 -0.91 1.25 3.58 -1.31 0.28 116.42 117.98 2e9h h ASP 97 Ca 0.66 0.28 0.26 0.00 0.42 0.00 0.00 57.03 58.66 2e9h h ASP 97 Cb 1.93 0.76 -0.15 0.00 1.72 0.00 0.00 39.33 43.58 2e9h h ASP 97 CO -0.29 -0.30 0.27 1.23 -2.88 0.00 0.00 179.24 177.27 2e9h h GLY 98 N -0.10 1.49 0.78 -0.78 0.00 -1.37 0.89 103.07 103.99 2e9h h GLY 98 Ca 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 2e9h h GLY 98 CO -0.85 -0.43 -0.37 -2.75 0.00 0.00 0.00 176.54 172.15 2e9h h PHE 99 N 0.18 -0.95 0.00 5.60 3.04 -0.60 -2.88 116.94 121.32 2e9h h PHE 99 Ca 0.60 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.52 2e9h h PHE 99 Cb 1.26 0.32 -0.00 0.00 2.56 0.00 0.00 35.95 40.09 2e9h h PHE 99 CO -0.25 -0.59 -0.00 0.82 -2.02 0.00 0.00 178.31 176.27 2e9h h ILE 100 N -1.26 0.07 0.00 1.41 2.04 -0.57 1.16 117.51 120.36 2e9h h ILE 100 Ca -0.11 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2e9h h ILE 100 Cb 0.79 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2e9h h ILE 100 CO 0.17 0.00 -0.16 0.11 0.00 0.00 0.00 178.15 178.27 2e9h h LYS 101 N 0.00 0.00 0.00 2.37 1.79 0.99 0.25 116.57 121.97 2e9h h LYS 101 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2e9h h LYS 101 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2e9h h LYS 101 CO 0.00 0.16 0.00 0.36 -1.08 0.00 0.00 179.45 178.89 2e9h n LYS 102 N -3.43 0.00 0.33 3.15 2.85 -0.21 -4.34 118.16 116.51 2e9h n LYS 102 Ca -0.01 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.34 2e9h n LYS 102 Cb 0.34 -0.19 0.47 0.00 -0.65 0.00 0.00 35.03 35.01 2e9h n LYS 102 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2e9h h PHE 103 N 0.00 0.00 0.00 5.58 -1.00 0.11 -3.29 116.94 118.34 2e9h h PHE 103 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2e9h h PHE 103 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2e9h h PHE 103 CO 0.00 0.00 0.00 0.28 -1.61 0.00 0.00 178.31 176.98 2e9h n VAL 104 N -2.73 0.00 -0.60 -0.55 0.31 -1.18 -4.95 118.33 108.62 2e9h n VAL 104 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.02 2e9h n VAL 104 Cb 0.64 -0.73 0.21 0.00 -0.91 0.00 0.00 33.84 33.06 2e9h n VAL 104 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2e9h s LEU 105 N -3.53 1.77 -0.13 7.52 1.43 0.87 -4.48 118.68 122.12 2e9h s LEU 105 Ca 0.00 1.85 -0.05 0.00 -1.03 0.00 0.00 54.13 54.89 2e9h s LEU 105 Cb 0.00 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 2e9h s LEU 105 CO 0.00 -3.72 0.05 0.00 0.23 0.00 0.00 176.35 172.91 2e9h n PRO 107 N 2.73 0.49 -0.00 0.00 -0.04 -1.26 0.10 135.00 137.02 2e9h n PRO 107 Ca -0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.25 2e9h n PRO 107 Cb 0.53 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 2e9h n PRO 107 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e9h n GLU 108 N -0.80 0.08 -0.03 0.54 -0.58 -1.26 -4.86 120.64 113.73 2e9h n GLU 108 Ca 0.07 0.03 0.01 0.00 -0.42 0.00 0.00 57.16 56.86 2e9h n GLU 108 Cb 0.03 -0.64 -0.12 0.00 -0.57 0.00 0.00 31.44 30.14 2e9h n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2e9h n GLU 110 N -2.26 -3.88 -4.03 0.00 2.13 0.28 -4.87 120.64 108.02 2e9h n GLU 110 Ca -0.12 0.43 -0.35 0.00 0.66 0.00 0.00 57.16 57.78 2e9h n GLU 110 Cb 0.65 -4.23 -0.08 0.00 0.27 0.00 0.00 31.44 28.05 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2e9h s ASN 111 N -3.33 5.84 0.00 4.31 3.84 -1.26 -4.47 114.94 119.87 2e9h s ASN 111 Ca 0.21 0.24 0.14 0.00 0.21 0.00 0.00 52.86 53.66 2e9h s ASN 111 Cb -0.09 -1.89 0.84 0.00 -0.55 0.00 0.00 41.25 39.56 2e9h s ASN 111 CO 0.37 0.31 1.26 -0.81 -2.79 0.00 0.00 177.10 175.44 2e9h n PRO 112 N 2.64 0.49 -3.48 0.43 -0.04 -1.26 -3.13 135.00 130.65 2e9h n PRO 112 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 2e9h n PRO 112 Cb 0.53 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 2e9h n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2e9h s GLU 113 N -2.00 3.11 0.33 0.54 0.41 -1.26 -4.82 118.70 115.01 2e9h s GLU 113 Ca 0.21 -2.38 0.06 0.00 -0.41 0.00 0.00 54.97 52.45 2e9h s GLU 113 Cb 0.10 -4.14 -0.03 0.00 -1.78 0.00 0.00 34.13 28.28 2e9h s GLU 113 CO 0.16 -1.24 0.31 0.95 -0.49 0.00 0.00 175.26 174.95 2e9h s THR 114 N 0.28 0.00 0.14 3.63 -4.23 -1.26 -4.56 115.64 109.64 2e9h s THR 114 Ca 0.16 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.79 2e9h s THR 114 Cb -0.16 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 2e9h s THR 114 CO -0.06 0.00 -0.14 -1.81 -0.54 0.00 0.00 174.62 172.07 2e9h s ASP 115 N -3.36 2.09 -0.09 3.99 1.01 -0.95 -5.04 116.67 114.32 2e9h s ASP 115 Ca 0.39 -0.86 0.01 0.00 0.71 0.00 0.00 52.55 52.81 2e9h s ASP 115 Cb 0.02 -0.08 0.02 0.00 1.01 0.00 0.00 42.92 43.89 2e9h s ASP 115 CO 0.27 -0.16 -0.12 -0.76 0.21 0.00 0.00 175.17 174.61 2e9h s LEU 116 N -2.63 1.57 0.12 1.23 1.43 -1.26 -2.28 118.68 116.85 2e9h s LEU 116 Ca 0.12 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2e9h s LEU 116 Cb -0.04 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 2e9h s LEU 116 CO 0.03 -0.01 0.02 -1.00 0.23 0.00 0.00 176.35 175.63 2e9h s HIS 117 N 1.00 2.99 -0.03 0.29 3.76 0.29 -5.02 115.29 118.58 2e9h s HIS 117 Ca -0.08 -0.04 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 2e9h s HIS 117 Cb -0.15 -1.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 2e9h s HIS 117 CO -0.01 0.50 -0.19 0.54 -0.85 0.00 0.00 174.74 174.73 2e9h s VAL 118 N -1.47 1.50 -0.23 -0.90 0.11 -1.26 -2.49 120.40 115.65 2e9h s VAL 118 Ca 0.27 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.54 2e9h s VAL 118 Cb -0.11 -1.26 0.06 0.00 -1.53 0.00 0.00 36.38 33.54 2e9h s VAL 118 CO 0.19 0.43 -0.06 0.21 -3.33 0.00 0.00 175.10 172.54 2e9h s ASN 119 N -0.27 3.82 0.26 3.54 3.04 -1.10 -5.00 114.94 119.24 2e9h s ASN 119 Ca 0.03 -1.15 0.04 0.00 0.04 0.00 0.00 52.86 51.82 2e9h s ASN 119 Cb -0.09 -1.20 0.34 0.00 -1.54 0.00 0.00 41.25 38.76 2e9h s ASN 119 CO 0.00 -0.22 1.64 1.55 -3.04 0.00 0.00 177.10 177.03 2e9h h PRO 120 N 7.95 0.34 0.15 0.43 0.13 -1.90 0.21 132.00 139.30 2e9h h PRO 120 Ca -0.19 -0.18 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 2e9h h PRO 120 Cb 1.07 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2e9h h PRO 120 CO 0.42 0.72 -0.07 -0.22 -0.23 0.00 0.00 178.00 178.62 2e9h h LYS 121 N 0.27 -0.20 0.00 0.86 3.11 -1.98 -3.30 116.57 115.34 2e9h h LYS 121 Ca 0.02 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2e9h h LYS 121 Cb 0.90 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 2e9h h LYS 121 CO 0.07 -0.05 0.00 0.87 -2.81 0.00 0.00 179.45 177.53 2e9h h LYS 122 N -1.04 0.00 -6.12 1.90 1.79 -1.99 -3.46 116.57 107.65 2e9h h LYS 122 Ca -0.02 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.01 2e9h h LYS 122 Cb 0.24 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.93 2e9h h LYS 122 CO 0.03 0.00 -0.77 1.04 -1.08 0.00 0.00 179.45 178.67 2e9h n GLN 123 N -2.91 -5.72 -4.06 3.15 1.13 0.71 -4.99 117.38 104.69 2e9h n GLN 123 Ca 0.00 0.65 -0.09 0.00 -1.94 0.00 0.00 57.00 55.63 2e9h n GLN 123 Cb 0.25 -5.46 -0.11 0.00 0.11 0.00 0.00 30.24 25.04 2e9h n GLN 123 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2e9h s THR 124 N -3.44 0.31 -0.25 5.09 -4.23 -1.16 -5.01 115.64 106.94 2e9h s THR 124 Ca 0.37 -1.41 -0.07 0.00 -1.18 0.00 0.00 61.69 59.39 2e9h s THR 124 Cb -0.18 -0.98 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 2e9h s THR 124 CO 0.80 -0.72 0.07 -0.63 -0.54 0.00 0.00 174.62 173.60 2e9h s ILE 125 N -2.65 4.29 -0.07 2.99 1.01 -1.26 -2.70 121.20 122.81 2e9h s ILE 125 Ca -0.03 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2e9h s ILE 125 Cb -0.01 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 2e9h s ILE 125 CO -0.05 0.34 -0.09 -0.83 0.00 0.00 0.00 174.94 174.32 2e9h s GLY 126 N 1.58 1.64 -0.10 6.18 0.00 -1.04 0.38 107.32 115.95 2e9h s GLY 126 Ca 0.06 -0.92 -0.02 0.00 0.00 0.00 0.00 44.72 43.85 2e9h s GLY 126 CO 0.03 -0.67 -0.02 0.54 0.00 0.00 0.00 173.10 172.99 2e9h s ASN 127 N -0.71 5.00 -0.18 1.64 2.20 -0.63 -0.55 114.94 121.71 2e9h s ASN 127 Ca 0.11 0.03 0.00 0.00 -0.94 0.00 0.00 52.86 52.06 2e9h s ASN 127 Cb -0.11 -1.50 0.04 0.00 -2.00 0.00 0.00 41.25 37.68 2e9h s ASN 127 CO 0.01 0.31 -0.08 -0.94 -2.94 0.00 0.00 177.10 173.46 2e9h s SER 128 N -0.50 3.10 0.08 3.54 1.04 -0.97 -2.66 113.70 117.34 2e9h s SER 128 Ca 0.08 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.76 2e9h s SER 128 Cb -0.12 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.87 2e9h s SER 128 CO 0.02 -0.16 0.19 0.00 0.98 0.00 0.00 173.24 174.28 2e9h n LYS 130 N 0.16 0.67 -0.34 0.00 4.81 -1.26 -3.42 118.16 118.78 2e9h n LYS 130 Ca -0.06 0.06 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 2e9h n LYS 130 Cb 0.52 -1.25 -0.09 0.00 0.02 0.00 0.00 35.03 34.23 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2e9h h ALA 131 N 0.08 -0.51 0.00 3.14 0.00 -1.96 -3.26 119.26 116.75 2e9h h ALA 131 Ca -0.28 0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.38 2e9h h ALA 131 Cb 1.46 1.31 -0.06 0.00 0.00 0.00 0.00 17.79 20.49 2e9h h ALA 131 CO -0.03 -0.87 -2.29 0.00 0.00 0.00 0.00 179.25 176.06 2e9h n GLY 133 N 2.28 0.71 3.56 0.00 0.00 -1.23 -5.13 105.19 105.38 2e9h n GLY 133 Ca -0.41 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 2e9h n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2e9h s TYR 134 N -0.58 3.03 -0.01 1.61 6.14 -1.22 -4.94 117.35 121.38 2e9h s TYR 134 Ca 0.00 -0.11 -0.04 0.00 0.64 0.00 0.00 57.07 57.55 2e9h s TYR 134 Cb 0.00 -1.86 0.00 0.00 0.42 0.00 0.00 41.96 40.53 2e9h s TYR 134 CO 0.00 0.16 0.10 1.03 0.64 0.00 0.00 175.55 177.48 2e9h s ARG 135 N -0.21 0.29 0.00 4.97 0.52 -1.26 -0.30 118.95 122.97 2e9h s ARG 135 Ca 0.04 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2e9h s ARG 135 Cb -0.13 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.47 2e9h s ARG 135 CO 0.02 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.70 2e9h n GLY 136 N 2.18 -1.72 3.60 -3.53 0.00 -1.09 -5.01 105.19 99.61 2e9h n GLY 136 Ca -0.18 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 2e9h n GLY 136 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2e9h s MET 137 N -1.62 3.97 0.15 1.61 0.23 -1.26 -1.60 119.30 120.78 2e9h s MET 137 Ca 0.00 0.05 -0.31 0.00 -1.03 0.00 0.00 55.69 54.39 2e9h s MET 137 Cb 0.00 -3.68 -0.10 0.00 -1.53 0.00 0.00 34.83 29.52 2e9h s MET 137 CO 0.00 -0.33 1.60 -0.51 -2.03 0.00 0.00 175.02 173.74 2e9h s LEU 138 N 2.13 4.37 -1.35 0.18 1.43 0.16 -4.90 118.68 120.70 2e9h s LEU 138 Ca 0.16 2.62 -0.12 0.00 -1.03 0.00 0.00 54.13 55.76 2e9h s LEU 138 Cb -0.16 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.59 2e9h s LEU 138 CO 0.10 -0.85 1.99 0.47 0.23 0.00 0.00 176.35 178.30 2e9h n ASP 139 N 4.23 4.62 -4.78 2.29 9.92 -1.26 -4.63 116.55 126.93 2e9h n ASP 139 Ca 0.14 -3.00 -0.36 0.00 -0.53 0.00 0.00 54.79 51.05 2e9h n ASP 139 Cb 0.39 -1.56 -0.07 0.00 -0.64 0.00 0.00 41.12 39.23 2e9h n ASP 139 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2e9h s THR 140 N 1.61 5.23 0.97 -3.53 -1.32 -1.26 -5.08 115.64 112.26 2e9h s THR 140 Ca 0.43 0.11 -0.14 0.00 -1.21 0.00 0.00 61.69 60.88 2e9h s THR 140 Cb 0.11 -3.31 -0.02 0.00 -1.51 0.00 0.00 72.50 67.77 2e9h s THR 140 CO -0.03 0.55 0.02 0.00 -2.21 0.00 0.00 174.62 172.94 2e9h n HIS 141 N 2.62 -2.58 0.34 9.09 1.44 -1.26 -4.82 115.22 120.05 2e9h n HIS 141 Ca -0.18 0.15 -0.01 0.00 -2.01 0.00 0.00 57.72 55.67 2e9h n HIS 141 Cb 0.54 -1.67 0.11 0.00 0.12 0.00 0.00 29.99 29.09 2e9h n HIS 141 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2e9h n HIS 142 N -3.29 0.79 -0.08 -1.40 1.44 -1.26 -3.62 115.22 107.80 2e9h n HIS 142 Ca 0.04 -0.46 -0.08 0.00 -2.01 0.00 0.00 57.72 55.21 2e9h n HIS 142 Cb 0.55 -0.31 -0.03 0.00 0.12 0.00 0.00 29.99 30.31 2e9h n HIS 142 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2e9h n LYS 143 N 0.13 0.47 -0.10 -1.40 3.00 -1.26 -4.47 118.16 114.53 2e9h n LYS 143 Ca 0.12 0.52 -0.17 0.00 -0.00 0.00 0.00 58.31 58.78 2e9h n LYS 143 Cb 0.67 -1.69 -0.08 0.00 0.00 0.00 0.00 35.03 33.93 2e9h n LYS 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2e9h n LEU 144 N -4.58 1.86 -0.47 3.14 7.94 -1.26 -4.21 117.00 119.43 2e9h n LEU 144 Ca -0.12 0.47 0.36 0.00 -1.11 0.00 0.00 56.01 55.62 2e9h n LEU 144 Cb 0.34 -0.91 0.58 0.00 0.53 0.00 0.00 43.42 43.96 2e9h n LEU 144 CO 0.12 0.07 1.04 0.00 -1.11 0.00 0.00 177.39 177.51 2e9h h THR 146 N 0.00 0.35 -0.29 0.00 2.02 -1.78 -2.38 112.91 110.82 2e9h h THR 146 Ca 0.69 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.93 2e9h h THR 146 Cb 2.58 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 69.27 2e9h h THR 146 CO -0.13 0.00 -0.13 0.15 0.37 0.00 0.00 175.52 175.78 2e9h h PHE 147 N -0.76 -0.31 -0.68 3.16 3.57 0.31 -1.86 116.94 120.37 2e9h h PHE 147 Ca -0.05 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.63 2e9h h PHE 147 Cb 0.64 0.18 -0.12 0.00 2.79 0.00 0.00 35.95 39.44 2e9h h PHE 147 CO -0.12 -0.20 -0.07 0.82 -2.23 0.00 0.00 178.31 176.51 2e9h h ILE 148 N -0.08 0.37 -0.79 1.41 2.04 -1.43 0.14 117.51 119.17 2e9h h ILE 148 Ca 0.15 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 66.02 2e9h h ILE 148 Cb 0.31 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2e9h h ILE 148 CO -0.35 0.01 0.51 -0.07 0.00 0.00 0.00 178.15 178.25 2e9h h LEU 149 N 0.06 0.84 -0.69 1.44 3.38 -0.83 -2.33 115.31 117.18 2e9h h LEU 149 Ca 0.35 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2e9h h LEU 149 Cb 0.57 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2e9h h LEU 149 CO -0.64 0.59 0.44 0.11 0.09 0.00 0.00 178.44 179.03 2e9h h LYS 150 N 1.00 0.93 -3.98 1.13 1.57 -0.19 -3.38 116.57 113.64 2e9h h LYS 150 Ca 0.31 -0.07 -0.60 0.00 -1.87 0.00 0.00 60.65 58.43 2e9h h LYS 150 Cb -0.01 -0.20 -0.39 0.00 0.08 0.00 0.00 32.23 31.70 2e9h h LYS 150 CO -0.10 0.63 -0.76 -0.80 -0.57 0.00 0.00 179.45 177.85 2e9h s ASN 151 N -5.87 3.99 0.94 0.86 0.01 -0.32 -5.12 114.94 109.43 2e9h s ASN 151 Ca -0.13 -1.52 -0.12 0.00 -0.71 0.00 0.00 52.86 50.39 2e9h s ASN 151 Cb 0.14 -1.06 0.15 0.00 0.41 0.00 0.00 41.25 40.90 2e9h s ASN 151 CO 0.77 -0.35 1.09 -2.16 -1.51 0.00 0.00 177.10 174.95 2e9h s PRO 152 N 1.45 0.90 0.99 -0.60 0.04 -1.16 -4.57 135.00 132.06 2e9h s PRO 152 Ca 0.05 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 2e9h s PRO 152 Cb -0.18 -1.78 0.18 0.00 0.04 0.00 0.00 34.50 32.77 2e9h s PRO 152 CO -0.15 -2.45 1.09 -1.25 0.04 0.00 0.00 177.00 174.28 2e9h s PRO 153 N -4.95 0.50 0.82 0.56 0.04 -1.26 -4.99 135.00 125.72 2e9h s PRO 153 Ca 0.64 0.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 2e9h s PRO 153 Cb -0.18 -1.74 0.06 0.00 0.04 0.00 0.00 34.50 32.68 2e9h s PRO 153 CO 0.57 -2.69 1.01 0.39 0.04 0.00 0.00 177.00 176.32 2e9h n GLU 154 N -4.15 0.12 -1.37 4.56 -0.58 -1.26 -4.91 120.64 113.05 2e9h n GLU 154 Ca 0.05 0.11 -0.34 0.00 -0.42 0.00 0.00 57.16 56.57 2e9h n GLU 154 Cb 0.57 -2.28 0.07 0.00 -0.57 0.00 0.00 31.44 29.22 2e9h n GLU 154 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2e9h n ASN 155 N -2.66 7.53 -0.26 1.62 6.94 -1.26 -4.73 115.26 122.44 2e9h n ASN 155 Ca 0.12 -3.71 0.00 0.00 -0.02 0.00 0.00 54.58 50.98 2e9h n ASN 155 Cb 0.51 -1.01 0.07 0.00 -2.36 0.00 0.00 39.78 36.99 2e9h n ASN 155 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2e9h h SER 156 N 2.11 -0.89 -0.01 0.53 0.02 -2.04 -3.58 113.55 109.70 2e9h h SER 156 Ca 0.56 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.75 2e9h h SER 156 Cb 0.70 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2e9h h SER 156 CO 1.47 -0.27 0.00 0.47 -1.14 0.00 0.00 176.83 177.36