#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vbs s LYS 3 N 0.00 3.22 0.80 5.55 1.02 -1.26 -5.03 119.74 124.04 2vbs s LYS 3 Ca 0.00 -0.35 -0.08 0.00 0.02 0.00 0.00 55.97 55.56 2vbs s LYS 3 Cb 0.00 -4.16 0.13 0.00 -0.52 0.00 0.00 37.83 33.27 2vbs s LYS 3 CO 0.00 -1.94 1.12 -0.51 -0.92 0.00 0.00 175.35 173.10 2vbs s LEU 4 N 5.02 2.81 -0.29 3.17 2.01 -1.26 -2.63 118.68 127.51 2vbs s LEU 4 Ca 0.32 0.19 0.02 0.00 0.01 0.00 0.00 54.13 54.67 2vbs s LEU 4 Cb -0.11 -2.55 0.18 0.00 0.01 0.00 0.00 46.19 43.72 2vbs s LEU 4 CO 0.15 -2.06 0.54 -0.04 1.01 0.00 0.00 176.35 175.95 2vbs s MET 5 N -5.45 0.51 -0.09 1.70 -1.94 0.08 -4.84 119.30 109.28 2vbs s MET 5 Ca 0.66 0.64 -0.16 0.00 -1.71 0.00 0.00 55.69 55.12 2vbs s MET 5 Cb -0.07 0.18 -0.05 0.00 2.01 0.00 0.00 34.83 36.90 2vbs s MET 5 CO 0.48 -0.85 0.41 0.42 -0.01 0.00 0.00 175.02 175.46 2vbs s ILE 6 N 2.76 5.17 0.01 2.53 1.09 -1.26 -1.76 121.20 129.73 2vbs s ILE 6 Ca 0.14 0.81 0.03 0.00 -1.10 0.00 0.00 60.65 60.53 2vbs s ILE 6 Cb -0.13 -3.74 -0.01 0.00 -1.06 0.00 0.00 42.46 37.53 2vbs s ILE 6 CO -0.24 0.42 -0.09 -0.51 -0.10 0.00 0.00 174.94 174.42 2vbs s ILE 7 N 0.03 0.73 -0.09 2.92 -1.16 -0.71 -5.01 121.20 117.91 2vbs s ILE 7 Ca 0.23 -0.58 -0.01 0.00 -0.51 0.00 0.00 60.65 59.78 2vbs s ILE 7 Cb -0.15 -0.65 -0.03 0.00 0.61 0.00 0.00 42.46 42.24 2vbs s ILE 7 CO 0.10 0.07 -0.05 -0.70 -2.81 0.00 0.00 174.94 171.55 2vbs s GLU 8 N -0.57 2.96 -0.00 3.50 2.12 -1.26 -0.92 118.70 124.53 2vbs s GLU 8 Ca 0.01 -0.51 -0.10 0.00 0.36 0.00 0.00 54.97 54.74 2vbs s GLU 8 Cb -0.05 -2.69 0.01 0.00 0.26 0.00 0.00 34.13 31.65 2vbs s GLU 8 CO 0.00 0.60 0.19 0.20 -0.54 0.00 0.00 175.26 175.72 2vbs s GLY 9 N -0.63 -0.02 -0.33 -1.50 0.00 0.23 -4.37 107.32 100.70 2vbs s GLY 9 Ca 0.10 -0.00 -0.12 0.00 0.00 0.00 0.00 44.72 44.69 2vbs s GLY 9 CO 0.02 -0.16 0.22 1.85 0.00 0.00 0.00 173.10 175.03 2vbs s GLU 10 N -1.43 3.57 -0.15 2.90 2.12 -0.37 -0.93 118.70 124.43 2vbs s GLU 10 Ca -0.14 -0.59 -0.38 0.00 0.36 0.00 0.00 54.97 54.22 2vbs s GLU 10 Cb -0.07 -3.76 -0.16 0.00 0.26 0.00 0.00 34.13 30.41 2vbs s GLU 10 CO 0.02 -0.39 1.64 0.28 -0.54 0.00 0.00 175.26 176.27 2vbs n VAL 11 N 5.09 0.23 -4.36 3.70 0.31 0.25 -1.25 118.33 122.30 2vbs n VAL 11 Ca -0.13 -0.04 -0.19 0.00 -0.01 0.00 0.00 64.34 63.97 2vbs n VAL 11 Cb 0.50 -1.17 -0.10 0.00 -0.91 0.00 0.00 33.84 32.16 2vbs n VAL 11 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2vbs s VAL 12 N 2.64 0.53 -0.12 2.52 -7.23 -0.18 -0.25 120.40 118.31 2vbs s VAL 12 Ca 0.93 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.07 2vbs s VAL 12 Cb -0.99 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.34 2vbs s VAL 12 CO 0.58 0.00 0.01 -0.44 -0.31 0.00 0.00 175.10 174.95 2vbs s SER 13 N -3.39 5.29 0.28 4.85 0.01 -1.26 -3.84 113.70 115.64 2vbs s SER 13 Ca 0.35 0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.73 2vbs s SER 13 Cb 0.06 -1.65 0.02 0.00 0.21 0.00 0.00 66.02 64.66 2vbs s SER 13 CO 0.16 0.31 0.15 0.61 0.41 0.00 0.00 173.24 174.87 2vbs n GLY 14 N 2.63 3.18 3.78 3.44 0.00 -1.26 -5.05 105.19 111.91 2vbs n GLY 14 Ca -0.18 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.21 2vbs n GLY 14 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2vbs s LEU 15 N 0.00 4.33 -0.43 0.99 2.34 -1.26 -4.98 118.68 119.67 2vbs s LEU 15 Ca 0.11 1.88 0.06 0.00 0.06 0.00 0.00 54.13 56.24 2vbs s LEU 15 Cb -0.01 -4.02 0.32 0.00 -0.56 0.00 0.00 46.19 41.93 2vbs s LEU 15 CO 0.07 -0.12 1.20 0.61 -1.06 0.00 0.00 176.35 177.05 2vbs n GLY 16 N 0.57 0.38 0.00 -3.48 0.00 -1.26 -4.92 105.19 96.49 2vbs n GLY 16 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2vbs n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2vbs n GLU 17 N 0.19 0.00 -1.66 1.61 2.13 -1.26 -4.79 120.64 116.86 2vbs n GLU 17 Ca 0.02 0.24 -0.01 0.00 0.66 0.00 0.00 57.16 58.07 2vbs n GLU 17 Cb 0.73 -1.53 -0.01 0.00 0.27 0.00 0.00 31.44 30.90 2vbs n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vbs n GLY 18 N -1.22 -3.54 3.36 8.31 0.00 -1.26 -4.97 105.19 105.87 2vbs n GLY 18 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2vbs n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vbs s ARG 19 N -1.11 2.29 0.27 1.61 0.52 -1.26 -4.95 118.95 116.31 2vbs s ARG 19 Ca -0.05 -0.84 0.13 0.00 -0.52 0.00 0.00 55.73 54.44 2vbs s ARG 19 Cb 0.00 -2.17 0.93 0.00 0.52 0.00 0.00 34.95 34.23 2vbs s ARG 19 CO 0.15 0.56 1.16 2.48 0.02 0.00 0.00 175.30 179.67 2vbs n TYR 20 N 2.45 0.80 1.81 -0.53 4.11 -1.26 0.47 117.16 125.01 2vbs n TYR 20 Ca -0.17 0.87 0.14 0.00 -0.00 0.00 0.00 57.90 58.75 2vbs n TYR 20 Cb 0.51 -1.26 0.74 0.00 -0.00 0.00 0.00 39.34 39.34 2vbs n TYR 20 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.86 178.83 2vbs n PHE 21 N -4.71 0.01 0.48 -3.48 1.16 -1.26 -0.85 117.46 108.81 2vbs n PHE 21 Ca 0.26 -0.01 0.07 0.00 -1.87 0.00 0.00 57.45 55.90 2vbs n PHE 21 Cb 0.89 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.68 2vbs n PHE 21 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2vbs n LEU 22 N -0.56 0.48 -0.05 5.98 4.32 0.18 -4.74 117.00 122.61 2vbs n LEU 22 Ca 0.21 -0.36 -0.05 0.00 -0.02 0.00 0.00 56.01 55.78 2vbs n LEU 22 Cb 0.19 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.91 2vbs n LEU 22 CO 0.16 0.12 -0.85 -1.20 -1.22 0.00 0.00 177.39 174.41 2vbs n SER 23 N -1.51 2.45 -4.84 -1.43 7.64 -0.66 -4.69 113.62 110.57 2vbs n SER 23 Ca 0.01 -0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.52 2vbs n SER 23 Cb 0.26 0.70 -0.06 0.00 -1.01 0.00 0.00 64.21 64.10 2vbs n SER 23 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2vbs s LEU 24 N -4.83 4.43 0.26 -3.43 1.43 -0.03 -4.97 118.68 111.54 2vbs s LEU 24 Ca -0.06 0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 53.97 2vbs s LEU 24 Cb 0.03 -2.79 0.54 0.00 0.03 0.00 0.00 46.19 44.01 2vbs s LEU 24 CO 0.42 0.26 1.72 1.55 0.23 0.00 0.00 176.35 180.53 2vbs h PRO 25 N 4.29 0.42 -0.93 1.29 0.13 -1.94 -0.50 132.00 134.76 2vbs h PRO 25 Ca -0.50 -0.03 0.11 0.00 -0.87 0.00 0.00 66.00 64.71 2vbs h PRO 25 Cb 1.21 -0.09 -0.07 0.00 0.13 0.00 0.00 31.00 32.17 2vbs h PRO 25 CO 0.63 0.28 0.60 -1.35 -0.23 0.00 0.00 178.00 177.93 2vbs h PRO 26 N 0.43 0.88 -0.00 1.56 0.11 -1.97 0.63 132.00 133.63 2vbs h PRO 26 Ca 0.46 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.52 2vbs h PRO 26 Cb 0.76 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 2vbs h PRO 26 CO -0.45 0.58 -0.00 1.88 -0.21 0.00 0.00 178.00 179.80 2vbs h TYR 27 N 0.90 0.00 -0.34 0.65 0.05 -1.46 -0.05 116.97 116.72 2vbs h TYR 27 Ca 0.44 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.26 2vbs h TYR 27 Cb 0.47 -0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.13 2vbs h TYR 27 CO -0.00 0.52 -0.48 0.87 -1.05 0.00 0.00 178.16 178.01 2vbs h LYS 28 N -0.51 -0.34 -0.97 4.88 1.79 -0.42 0.51 116.57 121.50 2vbs h LYS 28 Ca 0.00 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.55 2vbs h LYS 28 Cb 0.52 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.19 2vbs h LYS 28 CO 0.00 -0.23 0.63 1.49 -1.08 0.00 0.00 179.45 180.26 2vbs h GLU 29 N -0.36 1.12 -0.13 3.15 4.57 0.26 -0.79 114.58 122.41 2vbs h GLU 29 Ca 0.06 -0.07 -0.21 0.00 -1.18 0.00 0.00 59.36 57.96 2vbs h GLU 29 Cb 0.52 -0.25 0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2vbs h GLU 29 CO -0.51 0.74 -0.77 0.97 -1.18 0.00 0.00 179.01 178.26 2vbs h ILE 30 N 1.15 1.31 -0.81 2.32 2.10 -0.01 0.37 117.51 123.94 2vbs h ILE 30 Ca 0.41 -2.03 -0.02 0.00 1.08 0.00 0.00 64.86 64.30 2vbs h ILE 30 Cb 0.14 2.02 -0.04 0.00 -1.09 0.00 0.00 36.82 37.85 2vbs h ILE 30 CO -0.15 0.63 0.41 -0.26 -1.08 0.00 0.00 178.15 177.70 2vbs h PHE 31 N 0.46 1.13 -0.03 2.19 0.04 -0.56 0.44 116.94 120.61 2vbs h PHE 31 Ca -0.05 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.71 2vbs h PHE 31 Cb 1.38 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 39.14 2vbs h PHE 31 CO 0.07 0.81 -0.20 0.87 -0.60 0.00 0.00 178.31 179.26 2vbs h LYS 32 N 1.14 -0.29 0.20 1.51 1.57 -0.73 0.68 116.57 120.64 2vbs h LYS 32 Ca 0.28 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2vbs h LYS 32 Cb 0.08 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2vbs h LYS 32 CO -0.04 -0.20 -0.51 -0.22 -0.57 0.00 0.00 179.45 177.92 2vbs h LYS 33 N -0.30 -0.76 -0.01 3.15 3.64 -0.15 0.29 116.57 122.43 2vbs h LYS 33 Ca 0.07 0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.31 2vbs h LYS 33 Cb 0.40 0.17 0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2vbs h LYS 33 CO -0.21 -0.50 -0.74 0.82 -2.27 0.00 0.00 179.45 176.55 2vbs h ILE 34 N -0.79 1.38 0.00 2.00 1.08 0.10 -3.31 117.51 117.97 2vbs h ILE 34 Ca -0.02 -2.12 0.00 0.00 -0.39 0.00 0.00 64.86 62.33 2vbs h ILE 34 Cb 0.76 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 2vbs h ILE 34 CO -0.23 0.63 -1.14 0.18 -0.69 0.00 0.00 178.15 176.90 2vbs n LEU 35 N -4.10 0.34 -2.12 1.44 4.77 0.23 -5.00 117.00 112.55 2vbs n LEU 35 Ca -0.10 -0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 55.50 2vbs n LEU 35 Cb 0.74 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.87 2vbs n LEU 35 CO 0.50 0.08 0.12 0.61 -1.33 0.00 0.00 177.39 177.37 2vbs n GLY 36 N 1.50 0.16 3.61 -0.72 0.00 0.10 -4.97 105.19 104.88 2vbs n GLY 36 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 2vbs n GLY 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vbs s PHE 37 N -3.17 -0.51 -0.23 1.61 -0.12 -1.23 -4.96 117.98 109.36 2vbs s PHE 37 Ca 0.28 1.14 -0.29 0.00 -0.05 0.00 0.00 56.93 58.01 2vbs s PHE 37 Cb -0.12 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.63 2vbs s PHE 37 CO 0.38 -0.32 1.41 -2.00 -0.05 0.00 0.00 175.22 174.64 2vbs s GLU 38 N -0.22 3.96 0.46 1.99 2.12 -1.26 -3.39 118.70 122.35 2vbs s GLU 38 Ca 0.00 1.51 -0.21 0.00 0.36 0.00 0.00 54.97 56.63 2vbs s GLU 38 Cb -0.03 -3.91 -0.09 0.00 0.26 0.00 0.00 34.13 30.36 2vbs s GLU 38 CO -0.02 -1.08 1.03 -1.25 -0.54 0.00 0.00 175.26 173.41 2vbs s PRO 39 N 4.19 3.94 0.39 4.30 0.04 -1.26 -4.51 135.00 142.08 2vbs s PRO 39 Ca 0.62 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 2vbs s PRO 39 Cb -0.21 -2.21 -0.11 0.00 0.04 0.00 0.00 34.50 32.01 2vbs s PRO 39 CO 0.24 -0.32 1.25 0.98 0.04 0.00 0.00 177.00 179.19 2vbs n TYR 40 N -0.72 2.10 -0.92 0.56 9.36 0.42 -4.82 117.16 123.15 2vbs n TYR 40 Ca 0.08 0.53 -0.33 0.00 3.32 0.00 0.00 57.90 61.50 2vbs n TYR 40 Cb 0.52 -2.38 -0.04 0.00 -0.63 0.00 0.00 39.34 36.81 2vbs n TYR 40 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2vbs n GLU 41 N 0.28 1.59 0.00 2.98 2.13 -1.26 -4.72 120.64 121.63 2vbs n GLU 41 Ca 0.06 -1.60 0.00 0.00 0.66 0.00 0.00 57.16 56.28 2vbs n GLU 41 Cb 0.38 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.41 2vbs n GLU 41 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vbs n GLY 42 N 4.24 -0.13 2.89 8.31 0.00 -1.26 -4.94 105.19 114.30 2vbs n GLY 42 Ca 0.45 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 2vbs n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vbs s THR 43 N -2.00 0.26 -0.35 2.61 -4.23 -1.26 -4.68 115.64 105.99 2vbs s THR 43 Ca 0.00 -0.07 -0.21 0.00 -1.18 0.00 0.00 61.69 60.23 2vbs s THR 43 Cb 0.00 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.58 2vbs s THR 43 CO 0.00 0.11 0.67 -0.22 -0.54 0.00 0.00 174.62 174.64 2vbs s LEU 44 N 0.32 4.21 -0.12 4.79 1.98 -0.20 -4.87 118.68 124.79 2vbs s LEU 44 Ca -0.03 0.23 -0.15 0.00 -2.89 0.00 0.00 54.13 51.29 2vbs s LEU 44 Cb -0.06 -2.85 -0.05 0.00 0.66 0.00 0.00 46.19 43.90 2vbs s LEU 44 CO -0.01 -0.61 0.37 0.20 -1.89 0.00 0.00 176.35 174.42 2vbs s ASN 45 N 1.78 6.58 0.06 3.68 -0.87 -1.25 -0.92 114.94 124.01 2vbs s ASN 45 Ca 0.26 0.69 0.07 0.00 -1.57 0.00 0.00 52.86 52.31 2vbs s ASN 45 Cb -0.14 -2.23 -0.04 0.00 -0.02 0.00 0.00 41.25 38.82 2vbs s ASN 45 CO 0.15 0.11 -0.15 -0.76 -2.57 0.00 0.00 177.10 173.88 2vbs s LEU 46 N 0.24 2.80 -0.26 0.60 1.43 -0.05 -1.01 118.68 122.42 2vbs s LEU 46 Ca 0.21 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 2vbs s LEU 46 Cb -0.14 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2vbs s LEU 46 CO 0.08 0.23 0.12 -0.75 0.23 0.00 0.00 176.35 176.26 2vbs s LYS 47 N -1.75 3.76 0.55 1.70 2.20 -0.38 -1.59 119.74 124.23 2vbs s LYS 47 Ca 0.17 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.39 2vbs s LYS 47 Cb -0.11 -3.47 0.05 0.00 -1.51 0.00 0.00 37.83 32.79 2vbs s LYS 47 CO 0.08 -0.20 0.76 -0.51 -0.36 0.00 0.00 175.35 175.13 2vbs s LEU 48 N 1.67 3.30 0.17 5.43 1.43 0.12 -1.23 118.68 129.58 2vbs s LEU 48 Ca 0.07 -0.24 0.23 0.00 -1.03 0.00 0.00 54.13 53.16 2vbs s LEU 48 Cb -0.16 -2.57 0.19 0.00 0.03 0.00 0.00 46.19 43.69 2vbs s LEU 48 CO 0.07 -1.18 1.21 0.44 0.23 0.00 0.00 176.35 177.12 2vbs h ASP 49 N 0.13 0.00 -5.60 2.29 5.19 -1.85 -3.46 116.42 113.12 2vbs h ASP 49 Ca -0.40 -0.12 -0.25 0.00 -0.62 0.00 0.00 57.03 55.64 2vbs h ASP 49 Cb 1.29 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.65 2vbs h ASP 49 CO 0.48 0.06 -0.58 0.00 -3.12 0.00 0.00 179.24 176.08 2vbs s ARG 50 N -3.25 1.27 0.94 3.56 1.04 -1.26 -5.15 118.95 116.09 2vbs s ARG 50 Ca 0.03 -1.64 -0.11 0.00 -1.04 0.00 0.00 55.73 52.97 2vbs s ARG 50 Cb 0.11 0.29 0.16 0.00 -2.04 0.00 0.00 34.95 33.47 2vbs s ARG 50 CO 0.75 -0.43 1.11 -1.21 -0.04 0.00 0.00 175.30 175.49 2vbs s GLU 51 N -4.09 0.88 0.01 3.89 2.02 -1.26 -4.46 118.70 115.68 2vbs s GLU 51 Ca 0.38 1.32 0.02 0.00 0.02 0.00 0.00 54.97 56.71 2vbs s GLU 51 Cb 0.06 -1.73 -0.01 0.00 0.10 0.00 0.00 34.13 32.55 2vbs s GLU 51 CO 0.13 -2.65 -0.05 0.12 0.02 0.00 0.00 175.26 172.83 2vbs s PHE 52 N -2.68 0.48 -0.17 1.61 5.36 -0.27 -4.87 117.98 117.45 2vbs s PHE 52 Ca 0.66 -0.24 -0.03 0.00 -0.96 0.00 0.00 56.93 56.36 2vbs s PHE 52 Cb -0.22 -0.30 0.06 0.00 -0.34 0.00 0.00 43.02 42.22 2vbs s PHE 52 CO 0.59 -0.04 0.04 0.34 -1.46 0.00 0.00 175.22 174.69 2vbs s ASP 53 N -0.65 2.61 0.39 6.13 2.15 -1.26 -4.80 116.67 121.24 2vbs s ASP 53 Ca -0.03 -0.67 0.07 0.00 0.43 0.00 0.00 52.55 52.34 2vbs s ASP 53 Cb -0.05 -0.50 0.77 0.00 -0.30 0.00 0.00 42.92 42.84 2vbs s ASP 53 CO -0.00 -0.30 1.98 -0.29 -0.17 0.00 0.00 175.17 176.40 2vbs h ILE 54 N 6.47 1.14 0.00 4.11 2.10 -1.98 -2.48 117.51 126.87 2vbs h ILE 54 Ca -0.16 -0.45 -0.01 0.00 1.08 0.00 0.00 64.86 65.32 2vbs h ILE 54 Cb 1.13 0.73 -0.00 0.00 -1.09 0.00 0.00 36.82 37.59 2vbs h ILE 54 CO 0.32 0.17 -0.04 0.78 -1.08 0.00 0.00 178.15 178.30 2vbs h ASN 55 N 0.49 0.00 0.00 2.19 2.35 -2.02 0.24 115.58 118.83 2vbs h ASN 55 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2vbs h ASN 55 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2vbs h ASN 55 CO -0.01 0.04 0.00 0.29 -1.65 0.00 0.00 177.43 176.09 2vbs n LYS 56 N -4.20 0.62 -4.07 0.81 4.01 -0.93 -4.80 118.16 109.59 2vbs n LYS 56 Ca -0.03 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.66 2vbs n LYS 56 Cb 0.12 -1.26 -0.06 0.00 -0.51 0.00 0.00 35.03 33.32 2vbs n LYS 56 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2vbs s PHE 57 N -0.38 0.73 -1.18 2.13 0.40 0.83 -4.71 117.98 115.79 2vbs s PHE 57 Ca 0.00 -1.03 -0.17 0.00 -0.60 0.00 0.00 56.93 55.13 2vbs s PHE 57 Cb 0.00 -0.07 0.11 0.00 0.51 0.00 0.00 43.02 43.57 2vbs s PHE 57 CO 0.00 -0.93 1.51 0.21 0.70 0.00 0.00 175.22 176.71 2vbs s LYS 58 N -3.84 3.92 0.22 0.44 2.20 -1.26 -4.99 119.74 116.43 2vbs s LYS 58 Ca 0.29 -2.06 -0.19 0.00 -0.36 0.00 0.00 55.97 53.65 2vbs s LYS 58 Cb 0.01 -5.26 -0.08 0.00 -1.51 0.00 0.00 37.83 30.99 2vbs s LYS 58 CO 0.12 -2.01 0.71 1.52 -0.36 0.00 0.00 175.35 175.33 2vbs s TYR 59 N 3.18 3.62 0.18 4.03 -0.85 -1.26 -4.83 117.35 121.42 2vbs s TYR 59 Ca 0.46 1.34 -0.29 0.00 -0.52 0.00 0.00 57.07 58.06 2vbs s TYR 59 Cb -0.00 -2.59 -0.08 0.00 0.38 0.00 0.00 41.96 39.68 2vbs s TYR 59 CO 0.00 0.33 0.93 0.42 -1.52 0.00 0.00 175.55 175.71 2vbs s ILE 60 N -1.55 4.29 -0.20 -3.49 1.09 0.48 -4.91 121.20 116.91 2vbs s ILE 60 Ca 0.43 2.03 -0.02 0.00 -1.10 0.00 0.00 60.65 61.99 2vbs s ILE 60 Cb -0.16 -4.30 -0.00 0.00 -1.06 0.00 0.00 42.46 36.94 2vbs s ILE 60 CO 0.21 0.43 -0.10 -0.70 -0.10 0.00 0.00 174.94 174.67 2vbs s GLU 61 N -0.68 3.26 0.62 2.79 2.12 -1.26 0.42 118.70 125.97 2vbs s GLU 61 Ca 0.43 -0.69 -0.14 0.00 0.36 0.00 0.00 54.97 54.93 2vbs s GLU 61 Cb -0.24 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 2vbs s GLU 61 CO 0.30 -0.17 1.05 0.95 -0.54 0.00 0.00 175.26 176.85 2vbs s THR 62 N 1.34 4.06 0.63 -1.70 -4.23 -0.46 -4.94 115.64 110.34 2vbs s THR 62 Ca 0.04 0.85 -0.13 0.00 -1.18 0.00 0.00 61.69 61.27 2vbs s THR 62 Cb -0.14 -3.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 2vbs s THR 62 CO -0.06 -0.70 1.04 -1.83 -0.54 0.00 0.00 174.62 172.54 2vbs s GLU 63 N -4.48 3.29 0.54 3.99 -1.05 -1.26 -4.05 118.70 115.68 2vbs s GLU 63 Ca 0.60 1.00 -0.20 0.00 -0.15 0.00 0.00 54.97 56.22 2vbs s GLU 63 Cb -0.14 -2.04 -0.05 0.00 -0.44 0.00 0.00 34.13 31.46 2vbs s GLU 63 CO 0.43 -0.82 1.16 -0.51 0.95 0.00 0.00 175.26 176.48 2vbs s ASP 64 N -3.45 5.64 0.22 0.83 1.01 -1.26 -3.72 116.67 115.94 2vbs s ASP 64 Ca 0.59 2.27 0.11 0.00 0.71 0.00 0.00 52.55 56.24 2vbs s ASP 64 Cb -0.14 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.16 2vbs s ASP 64 CO 0.46 -1.28 -0.20 -0.36 0.21 0.00 0.00 175.17 174.00 2vbs s PHE 65 N -1.67 2.35 -0.31 4.23 0.08 -0.15 -4.90 117.98 117.62 2vbs s PHE 65 Ca 0.73 -0.33 -0.09 0.00 0.12 0.00 0.00 56.93 57.35 2vbs s PHE 65 Cb -0.27 -1.12 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 2vbs s PHE 65 CO 0.30 0.56 0.14 -2.00 -0.10 0.00 0.00 175.22 174.13 2vbs s GLU 66 N -2.95 3.30 -0.17 0.44 2.56 -1.26 -0.14 118.70 120.48 2vbs s GLU 66 Ca 0.24 -0.74 -0.01 0.00 0.00 0.00 0.00 54.97 54.47 2vbs s GLU 66 Cb -0.07 -3.53 0.05 0.00 2.00 0.00 0.00 34.13 32.58 2vbs s GLU 66 CO 0.12 -0.42 -0.04 0.12 -0.56 0.00 0.00 175.26 174.49 2vbs s PHE 67 N 1.59 1.68 -1.18 5.30 5.36 0.65 -4.81 117.98 126.57 2vbs s PHE 67 Ca 0.04 -1.11 -0.21 0.00 -0.96 0.00 0.00 56.93 54.69 2vbs s PHE 67 Cb -0.17 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 2vbs s PHE 67 CO 0.06 -0.63 0.73 0.09 -1.46 0.00 0.00 175.22 174.01 2vbs n ASN 68 N 4.88 -4.56 0.00 6.13 3.02 -1.26 -2.63 115.26 120.84 2vbs n ASN 68 Ca -0.11 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 2vbs n ASN 68 Cb 0.47 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 2vbs n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vbs n GLY 69 N -1.79 2.60 3.79 7.41 0.00 -1.26 -4.95 105.19 110.99 2vbs n GLY 69 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2vbs n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vbs s LYS 70 N 0.00 4.46 0.18 1.61 3.01 -1.08 -5.07 119.74 122.85 2vbs s LYS 70 Ca 0.00 1.18 -0.09 0.00 -1.01 0.00 0.00 55.97 56.05 2vbs s LYS 70 Cb 0.00 -2.78 -0.07 0.00 -1.01 0.00 0.00 37.83 33.97 2vbs s LYS 70 CO 0.00 0.29 0.49 0.50 0.51 0.00 0.00 175.35 177.14 2vbs s ARG 71 N -2.11 3.78 -0.02 1.68 3.52 -1.26 -0.25 118.95 124.29 2vbs s ARG 71 Ca 0.49 0.21 0.02 0.00 -0.13 0.00 0.00 55.73 56.32 2vbs s ARG 71 Cb -0.17 -2.78 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 2vbs s ARG 71 CO 0.22 0.41 -0.06 -0.06 -0.81 0.00 0.00 175.30 175.00 2vbs s PHE 72 N -1.67 0.62 0.12 5.12 0.08 0.80 -4.92 117.98 118.13 2vbs s PHE 72 Ca 0.43 -0.13 -0.22 0.00 0.12 0.00 0.00 56.93 57.12 2vbs s PHE 72 Cb -0.12 -0.46 -0.07 0.00 -0.57 0.00 0.00 43.02 41.79 2vbs s PHE 72 CO 0.21 -0.07 0.67 -0.06 -0.10 0.00 0.00 175.22 175.87 2vbs s PHE 73 N 0.22 3.85 0.98 0.36 0.40 -1.26 -0.97 117.98 121.56 2vbs s PHE 73 Ca -0.03 1.44 -0.12 0.00 -0.60 0.00 0.00 56.93 57.63 2vbs s PHE 73 Cb -0.07 -2.63 0.18 0.00 0.51 0.00 0.00 43.02 41.01 2vbs s PHE 73 CO -0.00 0.55 1.10 0.20 0.70 0.00 0.00 175.22 177.76 2vbs s GLY 74 N -1.15 1.57 0.04 4.36 0.00 -1.24 -4.87 107.32 106.03 2vbs s GLY 74 Ca 0.33 -0.34 0.07 0.00 0.00 0.00 0.00 44.72 44.78 2vbs s GLY 74 CO 0.22 0.25 -0.20 -1.34 0.00 0.00 0.00 173.10 172.04 2vbs s VAL 75 N -2.99 1.64 -0.12 1.40 -7.23 -1.26 -4.40 120.40 107.44 2vbs s VAL 75 Ca 0.65 -1.17 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 2vbs s VAL 75 Cb -0.18 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 2vbs s VAL 75 CO 0.57 0.21 1.00 -0.54 -0.31 0.00 0.00 175.10 176.03 2vbs s LYS 76 N -1.14 4.40 -0.04 4.82 1.02 -0.71 -1.35 119.74 126.73 2vbs s LYS 76 Ca 0.07 1.36 0.06 0.00 0.02 0.00 0.00 55.97 57.48 2vbs s LYS 76 Cb -0.09 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 2vbs s LYS 76 CO 0.02 -0.35 -0.23 0.08 -0.92 0.00 0.00 175.35 173.95 2vbs s VAL 77 N 2.14 1.83 -0.18 3.17 1.01 0.17 -0.46 120.40 128.09 2vbs s VAL 77 Ca 0.47 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2vbs s VAL 77 Cb -0.18 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.69 2vbs s VAL 77 CO 0.16 0.52 -0.11 -0.22 0.00 0.00 0.00 175.10 175.45 2vbs s LEU 78 N -0.22 2.04 0.54 3.92 2.96 0.13 -0.38 118.68 127.66 2vbs s LEU 78 Ca -0.00 -0.74 -0.19 0.00 -0.22 0.00 0.00 54.13 52.98 2vbs s LEU 78 Cb -0.12 -1.19 -0.06 0.00 0.50 0.00 0.00 46.19 45.32 2vbs s LEU 78 CO 0.02 -0.12 1.11 -2.84 -1.32 0.00 0.00 176.35 173.20 2vbs s PRO 79 N 1.45 3.42 0.26 0.98 0.02 -1.26 0.29 135.00 140.14 2vbs s PRO 79 Ca 0.01 1.54 -0.15 0.00 0.02 0.00 0.00 61.00 62.41 2vbs s PRO 79 Cb -0.15 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2vbs s PRO 79 CO -0.09 -0.78 0.55 0.96 -0.33 0.00 0.00 177.00 177.31 2vbs s ILE 80 N -1.86 0.00 -0.19 2.83 -4.36 0.23 -4.67 121.20 113.17 2vbs s ILE 80 Ca 0.71 -1.27 -0.03 0.00 -0.26 0.00 0.00 60.65 59.80 2vbs s ILE 80 Cb -0.22 -2.13 -0.01 0.00 1.25 0.00 0.00 42.46 41.35 2vbs s ILE 80 CO 0.27 -0.00 -0.07 -0.54 0.24 0.00 0.00 174.94 174.84 2vbs s LYS 81 N -3.99 3.39 -0.34 0.37 -0.14 -0.41 -0.34 119.74 118.29 2vbs s LYS 81 Ca 0.19 -0.64 -0.22 0.00 -1.36 0.00 0.00 55.97 53.94 2vbs s LYS 81 Cb -0.02 -2.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.22 2vbs s LYS 81 CO 0.08 -0.07 0.70 0.42 -0.76 0.00 0.00 175.35 175.72 2vbs s ILE 82 N 1.14 4.84 -0.52 2.17 1.01 0.36 -0.03 121.20 130.17 2vbs s ILE 82 Ca 0.01 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.34 2vbs s ILE 82 Cb -0.14 -4.10 0.11 0.00 0.01 0.00 0.00 42.46 38.33 2vbs s ILE 82 CO -0.01 -0.29 0.49 -0.76 0.00 0.00 0.00 174.94 174.37 2vbs s LEU 83 N 2.83 5.92 -0.34 2.97 1.43 -0.22 -0.48 118.68 130.79 2vbs s LEU 83 Ca 0.28 -1.60 -0.01 0.00 -1.03 0.00 0.00 54.13 51.77 2vbs s LEU 83 Cb -0.14 -2.22 0.08 0.00 0.03 0.00 0.00 46.19 43.94 2vbs s LEU 83 CO 0.14 -0.82 0.07 -0.63 0.23 0.00 0.00 176.35 175.34 2vbs s ILE 84 N 1.72 2.98 0.00 -0.59 1.01 -0.69 -3.35 121.20 122.28 2vbs s ILE 84 Ca 0.04 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 58.98 2vbs s ILE 84 Cb -0.28 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.32 2vbs s ILE 84 CO 0.05 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.25 2vbs n GLY 85 N 4.57 3.42 0.19 6.18 0.00 -1.26 -1.77 105.19 116.52 2vbs n GLY 85 Ca -0.08 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 2vbs n GLY 85 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2vbs h ASN 86 N 0.23 0.46 -4.19 1.61 7.08 -2.02 -3.46 115.58 115.29 2vbs h ASN 86 Ca 0.00 -0.25 -0.49 0.00 -3.08 0.00 0.00 56.30 52.48 2vbs h ASN 86 Cb 0.00 -0.13 0.06 0.00 -2.08 0.00 0.00 38.32 36.17 2vbs h ASN 86 CO 0.00 0.93 0.38 -0.54 -2.08 0.00 0.00 177.43 176.12 2vbs s LYS 87 N -3.90 3.34 -0.45 4.14 3.01 -0.73 -5.05 119.74 120.11 2vbs s LYS 87 Ca -0.06 1.20 0.06 0.00 -1.01 0.00 0.00 55.97 56.16 2vbs s LYS 87 Cb 0.12 -2.04 0.20 0.00 -1.01 0.00 0.00 37.83 35.10 2vbs s LYS 87 CO 0.82 -0.79 0.58 0.36 0.51 0.00 0.00 175.35 176.83 2vbs n LYS 88 N -2.00 0.49 -2.03 1.68 2.85 -1.26 -1.71 118.16 116.18 2vbs n LYS 88 Ca 0.09 -2.63 -0.33 0.00 -1.05 0.00 0.00 58.31 54.38 2vbs n LYS 88 Cb 0.53 -1.48 0.02 0.00 -0.65 0.00 0.00 35.03 33.44 2vbs n LYS 88 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2vbs s ILE 89 N 0.12 3.47 0.19 0.58 1.09 0.37 -4.65 121.20 122.37 2vbs s ILE 89 Ca 0.32 0.75 -0.25 0.00 -1.10 0.00 0.00 60.65 60.38 2vbs s ILE 89 Cb 0.09 -3.27 -0.08 0.00 -1.06 0.00 0.00 42.46 38.14 2vbs s ILE 89 CO -0.15 -0.35 0.79 -1.81 -0.10 0.00 0.00 174.94 173.32 2vbs s ASP 90 N -2.42 7.36 0.05 3.58 1.11 -1.26 0.13 116.67 125.21 2vbs s ASP 90 Ca 0.67 1.65 -0.03 0.00 0.18 0.00 0.00 52.55 55.02 2vbs s ASP 90 Cb -0.19 -2.50 0.01 0.00 1.07 0.00 0.00 42.92 41.31 2vbs s ASP 90 CO 0.35 0.16 0.17 0.61 1.18 0.00 0.00 175.17 177.63 2vbs n GLY 91 N 1.37 1.44 3.05 0.21 0.00 0.54 -4.40 105.19 107.39 2vbs n GLY 91 Ca -0.04 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 2vbs n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vbs s ALA 92 N -1.19 -0.16 -0.01 4.61 0.00 -0.55 0.75 121.76 125.21 2vbs s ALA 92 Ca 0.04 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 2vbs s ALA 92 Cb -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 2vbs s ALA 92 CO 0.01 -0.17 0.95 0.42 0.00 0.00 0.00 175.76 176.97 2vbs s ILE 93 N -1.23 4.89 -0.06 0.00 1.01 0.14 -0.59 121.20 125.37 2vbs s ILE 93 Ca -0.13 1.99 0.05 0.00 0.00 0.00 0.00 60.65 62.56 2vbs s ILE 93 Cb -0.08 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 2vbs s ILE 93 CO 0.01 0.17 -0.22 -0.69 0.00 0.00 0.00 174.94 174.20 2vbs s VAL 94 N 1.00 2.36 -0.31 2.92 1.01 -0.30 -0.70 120.40 126.38 2vbs s VAL 94 Ca 0.50 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2vbs s VAL 94 Cb -0.21 -1.88 0.10 0.00 0.00 0.00 0.00 36.38 34.39 2vbs s VAL 94 CO 0.27 0.57 0.10 -0.69 0.00 0.00 0.00 175.10 175.35 2vbs s VAL 95 N -0.31 0.90 1.03 2.92 1.01 0.40 -4.27 120.40 122.07 2vbs s VAL 95 Ca 0.01 -1.42 -0.16 0.00 0.00 0.00 0.00 61.98 60.42 2vbs s VAL 95 Cb -0.13 -1.69 0.21 0.00 0.00 0.00 0.00 36.38 34.78 2vbs s VAL 95 CO 0.02 -0.68 1.17 -2.16 0.00 0.00 0.00 175.10 173.46 2vbs s PRO 96 N 1.60 0.15 0.09 2.72 0.04 -1.26 -1.74 135.00 136.60 2vbs s PRO 96 Ca 0.10 0.01 -0.27 0.00 0.04 0.00 0.00 61.00 60.88 2vbs s PRO 96 Cb -0.17 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.49 2vbs s PRO 96 CO -0.25 -2.82 1.67 -0.22 0.04 0.00 0.00 177.00 175.43 2vbs h LYS 97 N -1.94 -0.42 -5.95 4.56 1.63 -1.90 -3.43 116.57 109.13 2vbs h LYS 97 Ca -0.47 0.03 -0.68 0.00 -0.85 0.00 0.00 60.65 58.68 2vbs h LYS 97 Cb 1.30 0.09 -0.14 0.00 -0.60 0.00 0.00 32.23 32.88 2vbs h LYS 97 CO 0.46 -0.28 -0.61 0.21 -3.45 0.00 0.00 179.45 175.79 2vbs s LYS 98 N -6.11 3.02 -0.30 1.90 2.47 -1.26 -5.10 119.74 114.36 2vbs s LYS 98 Ca -0.15 -0.38 -0.11 0.00 -1.56 0.00 0.00 55.97 53.77 2vbs s LYS 98 Cb 0.06 -2.83 0.13 0.00 -1.46 0.00 0.00 37.83 33.73 2vbs s LYS 98 CO 0.65 0.71 0.67 -0.08 0.16 0.00 0.00 175.35 177.46 2vbs s THR 99 N -0.90 -0.92 -1.36 3.43 -1.32 -1.26 -5.04 115.64 108.27 2vbs s THR 99 Ca 0.14 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.90 2vbs s THR 99 Cb -0.11 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.33 2vbs s THR 99 CO 0.03 0.00 1.98 -1.22 -2.21 0.00 0.00 174.62 173.19 2vbs n TYR 100 N 5.37 0.00 -2.65 9.09 4.01 -1.26 -4.89 117.16 126.83 2vbs n TYR 100 Ca -0.12 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.38 2vbs n TYR 100 Cb 0.50 -0.32 0.03 0.00 -0.31 0.00 0.00 39.34 39.24 2vbs n TYR 100 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2vbs s HIS 101 N -2.64 3.07 0.80 -0.72 -3.43 -1.26 -5.06 115.29 106.05 2vbs s HIS 101 Ca 0.25 0.26 -0.11 0.00 -0.80 0.00 0.00 55.06 54.66 2vbs s HIS 101 Cb 0.19 -2.65 0.07 0.00 -1.43 0.00 0.00 32.58 28.76 2vbs s HIS 101 CO 0.45 -0.75 1.09 -1.54 -2.00 0.00 0.00 174.74 171.99 2vbs s SER 102 N -4.34 4.40 0.22 7.38 1.04 -1.26 -4.94 113.70 116.21 2vbs s SER 102 Ca 0.54 1.48 0.25 0.00 0.48 0.00 0.00 55.95 58.69 2vbs s SER 102 Cb -0.10 -2.22 0.91 0.00 0.10 0.00 0.00 66.02 64.70 2vbs s SER 102 CO 0.40 -2.05 1.74 -1.20 0.98 0.00 0.00 173.24 173.12 2vbs n SER 103 N -3.50 0.70 -0.16 7.02 7.64 -1.26 -1.77 113.62 122.28 2vbs n SER 103 Ca 0.07 0.62 0.14 0.00 1.01 0.00 0.00 58.87 60.71 2vbs n SER 103 Cb 0.55 -0.78 0.65 0.00 -1.01 0.00 0.00 64.21 63.62 2vbs n SER 103 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2vbs n GLU 104 N -2.21 0.91 -3.73 1.43 1.02 -1.26 -1.11 120.64 115.68 2vbs n GLU 104 Ca 0.04 -0.32 -0.35 0.00 -0.02 0.00 0.00 57.16 56.51 2vbs n GLU 104 Cb 0.32 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.17 2vbs n GLU 104 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2vbs s ILE 105 N -2.31 5.41 0.24 -3.67 1.09 -0.73 0.14 121.20 121.37 2vbs s ILE 105 Ca 0.34 0.19 0.09 0.00 -1.10 0.00 0.00 60.65 60.17 2vbs s ILE 105 Cb 0.21 -3.47 -0.04 0.00 -1.06 0.00 0.00 42.46 38.09 2vbs s ILE 105 CO 0.43 0.44 -0.03 0.27 -0.10 0.00 0.00 174.94 175.96 2vbs s ILE 106 N 0.33 3.40 -0.06 2.92 -4.36 -0.62 -4.89 121.20 117.93 2vbs s ILE 106 Ca 0.08 -1.83 0.05 0.00 -0.26 0.00 0.00 60.65 58.70 2vbs s ILE 106 Cb -0.11 -2.78 -0.02 0.00 1.25 0.00 0.00 42.46 40.80 2vbs s ILE 106 CO -0.02 -0.30 -0.21 -1.61 0.24 0.00 0.00 174.94 173.05 2vbs s GLU 107 N -3.43 2.56 -0.11 0.37 2.02 -1.26 -0.87 118.70 117.97 2vbs s GLU 107 Ca 0.30 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.48 2vbs s GLU 107 Cb -0.07 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 2vbs s GLU 107 CO 0.19 0.46 -0.19 0.42 0.02 0.00 0.00 175.26 176.15 2vbs s ILE 108 N -0.34 2.46 0.05 -1.63 -1.09 -0.10 -1.15 121.20 119.40 2vbs s ILE 108 Ca 0.02 -0.87 0.05 0.00 -2.23 0.00 0.00 60.65 57.61 2vbs s ILE 108 Cb -0.12 -1.98 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 2vbs s ILE 108 CO 0.02 0.54 -0.06 0.27 -1.23 0.00 0.00 174.94 174.48 2vbs s ILE 109 N 0.37 3.65 0.18 2.92 -4.36 0.24 -1.03 121.20 123.16 2vbs s ILE 109 Ca -0.15 -0.96 -0.05 0.00 -0.26 0.00 0.00 60.65 59.23 2vbs s ILE 109 Cb -0.17 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 40.86 2vbs s ILE 109 CO 0.07 0.26 0.20 0.00 0.24 0.00 0.00 174.94 175.71 2vbs s ALA 110 N -1.12 0.56 0.48 2.27 0.00 -1.26 -1.48 121.76 121.21 2vbs s ALA 110 Ca 0.20 -1.30 0.41 0.00 0.00 0.00 0.00 51.96 51.27 2vbs s ALA 110 Cb -0.11 1.05 2.13 0.00 0.00 0.00 0.00 23.12 26.19 2vbs s ALA 110 CO 0.12 -0.61 2.24 -1.35 0.00 0.00 0.00 175.76 176.15 2vbs h PRO 111 N 2.62 0.00 -4.37 0.00 0.11 -1.79 0.12 132.00 128.69 2vbs h PRO 111 Ca -0.33 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.62 2vbs h PRO 111 Cb 1.23 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 2vbs h PRO 111 CO 0.51 0.00 -0.69 0.00 -0.21 0.00 0.00 178.00 177.61 2vbs s MET 112 N -4.00 0.66 -0.51 1.05 0.23 -1.26 -3.41 119.30 112.06 2vbs s MET 112 Ca -0.04 -1.21 -0.26 0.00 -1.03 0.00 0.00 55.69 53.15 2vbs s MET 112 Cb 0.12 0.06 -0.05 0.00 -1.53 0.00 0.00 34.83 33.43 2vbs s MET 112 CO 0.42 -0.07 2.14 0.21 -2.03 0.00 0.00 175.02 175.69 2vbs s LYS 113 N -3.71 2.45 0.30 3.16 2.20 -1.26 -4.75 119.74 118.13 2vbs s LYS 113 Ca 0.07 1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 56.80 2vbs s LYS 113 Cb 0.06 -4.47 0.44 0.00 -1.51 0.00 0.00 37.83 32.35 2vbs s LYS 113 CO -0.08 -2.90 1.96 -0.07 -0.36 0.00 0.00 175.35 173.91 2vbs h LEU 114 N 17.69 0.96 -0.23 5.43 3.38 -1.95 0.65 115.31 141.24 2vbs h LEU 114 Ca -0.27 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.73 2vbs h LEU 114 Cb 1.22 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 2vbs h LEU 114 CO 1.16 0.69 -0.45 -0.09 0.09 0.00 0.00 178.44 179.84 2vbs h ARG 115 N 1.13 -0.44 0.38 1.13 2.43 -1.90 0.14 114.38 117.26 2vbs h ARG 115 Ca 0.31 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 2vbs h ARG 115 Cb -0.11 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2vbs h ARG 115 CO -0.07 -0.29 -0.18 1.49 -1.51 0.00 0.00 179.97 179.41 2vbs h GLU 116 N -0.45 -0.49 0.00 0.20 4.57 -1.82 0.29 114.58 116.88 2vbs h GLU 116 Ca 0.09 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2vbs h GLU 116 Cb 0.62 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2vbs h GLU 116 CO -0.47 -0.21 0.15 1.04 -1.18 0.00 0.00 179.01 178.34 2vbs n GLN 117 N -5.12 0.05 -0.54 1.92 6.02 0.20 -0.58 117.38 119.33 2vbs n GLN 117 Ca -0.08 0.49 0.04 0.00 -0.01 0.00 0.00 57.00 57.44 2vbs n GLN 117 Cb 0.26 -1.82 0.06 0.00 1.02 0.00 0.00 30.24 29.75 2vbs n GLN 117 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2vbs n PHE 118 N -1.75 0.00 -2.26 1.08 3.01 0.49 -5.02 117.46 113.02 2vbs n PHE 118 Ca -0.01 -0.50 -0.08 0.00 1.01 0.00 0.00 57.45 57.88 2vbs n PHE 118 Cb 0.16 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 2vbs n PHE 118 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2vbs n ASN 119 N -0.43 -1.24 -4.87 4.37 4.13 0.26 -4.91 115.26 112.56 2vbs n ASN 119 Ca 0.07 -0.15 -0.35 0.00 1.68 0.00 0.00 54.58 55.83 2vbs n ASN 119 Cb 0.75 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 38.55 2vbs n ASN 119 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2vbs s LEU 120 N -1.73 4.38 0.26 3.41 1.43 0.94 -5.02 118.68 122.35 2vbs s LEU 120 Ca 0.04 0.70 0.11 0.00 -1.03 0.00 0.00 54.13 53.96 2vbs s LEU 120 Cb -0.00 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 2vbs s LEU 120 CO 0.22 0.25 -0.13 -1.59 0.23 0.00 0.00 176.35 175.33 2vbs s LYS 121 N -1.61 1.90 0.66 1.70 -2.85 -1.26 -4.81 119.74 113.46 2vbs s LYS 121 Ca 0.27 -1.59 -0.18 0.00 -1.00 0.00 0.00 55.97 53.48 2vbs s LYS 121 Cb -0.14 -1.94 -0.01 0.00 -2.06 0.00 0.00 37.83 33.68 2vbs s LYS 121 CO 0.15 0.36 1.19 -0.25 0.10 0.00 0.00 175.35 176.90 2vbs n ASP 122 N -0.58 1.60 0.00 0.03 8.00 -1.26 -1.81 116.55 122.52 2vbs n ASP 122 Ca -0.07 0.79 0.00 0.00 0.71 0.00 0.00 54.79 56.23 2vbs n ASP 122 Cb 0.59 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 2vbs n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vbs n GLY 123 N 1.00 2.71 3.61 0.44 0.00 0.66 -4.98 105.19 108.63 2vbs n GLY 123 Ca 0.15 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2vbs n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vbs n ASP 124 N 0.64 0.65 -4.60 1.61 9.92 -0.75 -4.58 116.55 119.44 2vbs n ASP 124 Ca 0.00 0.79 -0.33 0.00 -0.53 0.00 0.00 54.79 54.72 2vbs n ASP 124 Cb 0.00 -1.38 -0.10 0.00 -0.64 0.00 0.00 41.12 38.99 2vbs n ASP 124 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2vbs s VAL 125 N -1.54 3.73 0.33 2.53 1.01 -1.26 0.86 120.40 126.06 2vbs s VAL 125 Ca 0.76 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.13 2vbs s VAL 125 Cb -0.41 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2vbs s VAL 125 CO 0.47 0.46 0.08 0.27 0.00 0.00 0.00 175.10 176.38 2vbs s ILE 126 N -0.94 0.96 0.04 2.22 -0.00 -0.10 -4.94 121.20 118.43 2vbs s ILE 126 Ca 0.16 -2.00 0.04 0.00 -0.00 0.00 0.00 60.65 58.85 2vbs s ILE 126 Cb -0.11 -2.67 -0.04 0.00 -0.00 0.00 0.00 42.46 39.64 2vbs s ILE 126 CO 0.06 0.00 -0.07 -0.54 -0.00 0.00 0.00 174.94 174.39 2vbs s LYS 127 N -3.88 2.46 0.25 0.37 1.02 -1.21 -0.60 119.74 118.15 2vbs s LYS 127 Ca 0.34 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.60 2vbs s LYS 127 Cb 0.07 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 2vbs s LYS 127 CO 0.15 0.57 -0.10 0.96 -0.92 0.00 0.00 175.35 176.01 2vbs s ILE 128 N -1.08 1.74 -0.32 2.17 -5.25 -0.10 -1.06 121.20 117.31 2vbs s ILE 128 Ca 0.19 -2.18 0.01 0.00 -0.99 0.00 0.00 60.65 57.68 2vbs s ILE 128 Cb -0.11 -2.29 0.10 0.00 2.95 0.00 0.00 42.46 43.11 2vbs s ILE 128 CO 0.10 -0.42 0.08 -0.22 -1.79 0.00 0.00 174.94 172.70 2vbs s LEU 129 N -3.40 2.95 0.44 0.37 2.96 0.96 -1.74 118.68 121.22 2vbs s LEU 129 Ca 0.27 -1.79 -0.22 0.00 -0.22 0.00 0.00 54.13 52.17 2vbs s LEU 129 Cb 0.01 -1.08 -0.09 0.00 0.50 0.00 0.00 46.19 45.54 2vbs s LEU 129 CO 0.10 -0.41 1.03 -0.63 -1.32 0.00 0.00 176.35 175.13 2vbs s ILE 130 N 1.42 3.82 -0.34 6.68 1.01 -0.72 -1.29 121.20 131.78 2vbs s ILE 130 Ca 0.10 1.25 0.15 0.00 0.00 0.00 0.00 60.65 62.15 2vbs s ILE 130 Cb -0.18 -3.57 0.46 0.00 0.01 0.00 0.00 42.46 39.18 2vbs s ILE 130 CO -0.20 -0.14 1.01 2.29 0.00 0.00 0.00 174.94 177.90 2vbs n LYS 131 N -0.54 1.80 0.00 2.79 2.85 -1.26 -0.74 118.16 123.06 2vbs n LYS 131 Ca 0.07 -3.59 0.00 0.00 -1.05 0.00 0.00 58.31 53.74 2vbs n LYS 131 Cb 0.51 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.35 2vbs n LYS 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2vbs n GLY 132 N -0.24 1.06 0.00 2.58 0.00 -1.08 -4.81 105.19 102.69 2vbs n GLY 132 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2vbs n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41