#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7s n PHE 2 N 0.00 0.00 -4.49 1.12 3.01 -1.26 -4.75 117.46 111.09 3i7s n PHE 2 Ca 0.00 -0.53 -0.23 0.00 1.01 0.00 0.00 57.45 57.70 3i7s n PHE 2 Cb 0.00 -0.08 -0.11 0.00 -0.01 0.00 0.00 39.48 39.29 3i7s n PHE 2 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3i7s s THR 3 N -1.37 1.62 0.00 4.37 -4.23 -1.26 -4.84 115.64 109.93 3i7s s THR 3 Ca 0.12 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3i7s s THR 3 Cb 0.10 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.23 3i7s s THR 3 CO 0.01 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 3i7s n GLY 4 N -0.72 -0.72 3.56 3.99 0.00 -0.38 -4.70 105.19 106.21 3i7s n GLY 4 Ca -0.04 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 3i7s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7s s SER 5 N -4.00 6.46 -0.17 1.61 0.15 -1.26 -1.16 113.70 115.34 3i7s s SER 5 Ca 0.00 0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.68 3i7s s SER 5 Cb 0.00 -2.40 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 3i7s s SER 5 CO 0.00 -0.89 -0.07 -0.63 1.20 0.00 0.00 173.24 172.85 3i7s s ILE 6 N 3.33 3.51 -0.03 6.45 1.01 -0.25 -0.01 121.20 135.21 3i7s s ILE 6 Ca 0.32 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 60.28 3i7s s ILE 6 Cb -0.12 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 3i7s s ILE 6 CO 0.22 0.48 0.59 0.54 0.00 0.00 0.00 174.94 176.77 3i7s s VAL 7 N 0.67 4.96 -0.97 2.92 0.11 -0.62 0.22 120.40 127.70 3i7s s VAL 7 Ca -0.04 1.23 -0.19 0.00 -2.93 0.00 0.00 61.98 60.06 3i7s s VAL 7 Cb -0.15 -3.93 0.13 0.00 -1.53 0.00 0.00 36.38 30.90 3i7s s VAL 7 CO 0.02 0.39 1.19 0.00 -3.33 0.00 0.00 175.10 173.37 3i7s s ALA 8 N 0.04 3.36 0.29 1.54 0.00 0.14 -0.31 121.76 126.81 3i7s s ALA 8 Ca 0.31 -2.77 -0.28 0.00 0.00 0.00 0.00 51.96 49.22 3i7s s ALA 8 Cb -0.18 -4.11 -0.09 0.00 0.00 0.00 0.00 23.12 18.74 3i7s s ALA 8 CO 0.16 -3.03 0.96 -1.50 0.00 0.00 0.00 175.76 172.35 3i7s s ILE 9 N 2.83 4.07 0.73 0.00 2.07 -1.04 -4.64 121.20 125.22 3i7s s ILE 9 Ca 0.35 1.90 -0.13 0.00 -1.41 0.00 0.00 60.65 61.36 3i7s s ILE 9 Cb -0.04 -4.14 0.04 0.00 0.13 0.00 0.00 42.46 38.45 3i7s s ILE 9 CO -0.09 0.31 1.12 0.68 -1.91 0.00 0.00 174.94 175.06 3i7s s VAL 10 N -1.39 3.05 -0.62 4.00 -7.23 -1.26 -3.25 120.40 113.70 3i7s s VAL 10 Ca 0.46 0.42 -0.15 0.00 -1.81 0.00 0.00 61.98 60.90 3i7s s VAL 10 Cb -0.23 -2.88 0.15 0.00 0.56 0.00 0.00 36.38 33.98 3i7s s VAL 10 CO 0.29 -0.37 0.57 -0.89 -0.31 0.00 0.00 175.10 174.39 3i7s s THR 11 N -2.54 5.28 0.29 5.32 2.01 -1.26 -4.87 115.64 119.87 3i7s s THR 11 Ca 0.66 -1.78 -0.29 0.00 0.31 0.00 0.00 61.69 60.58 3i7s s THR 11 Cb -0.20 -4.35 -0.10 0.00 0.01 0.00 0.00 72.50 67.85 3i7s s THR 11 CO 0.49 -0.91 1.45 -2.16 -0.69 0.00 0.00 174.62 172.80 3i7s s PRO 12 N 1.20 4.23 0.16 4.92 0.05 -1.26 -4.92 135.00 139.38 3i7s s PRO 12 Ca 0.07 2.38 0.09 0.00 0.05 0.00 0.00 61.00 63.59 3i7s s PRO 12 Cb -0.25 -3.07 -0.04 0.00 0.05 0.00 0.00 34.50 31.20 3i7s s PRO 12 CO -0.00 -0.43 -0.20 -1.64 0.05 0.00 0.00 177.00 174.77 3i7s s MET 13 N -0.89 1.29 0.73 4.56 -1.94 -1.26 -0.21 119.30 121.58 3i7s s MET 13 Ca 0.57 -1.38 -0.12 0.00 -1.71 0.00 0.00 55.69 53.05 3i7s s MET 13 Cb -0.43 -1.43 0.17 0.00 2.01 0.00 0.00 34.83 35.15 3i7s s MET 13 CO 0.49 0.30 0.88 -0.40 -0.01 0.00 0.00 175.02 176.28 3i7s n ASP 14 N 0.45 -0.40 0.21 3.03 5.68 -0.22 -4.24 116.55 121.04 3i7s n ASP 14 Ca -0.14 -1.24 0.15 0.00 -0.50 0.00 0.00 54.79 53.06 3i7s n ASP 14 Cb 0.56 -0.71 0.65 0.00 -1.14 0.00 0.00 41.12 40.49 3i7s n ASP 14 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i7s h GLU 15 N 0.00 0.00 -0.01 0.11 5.08 -1.96 -1.81 114.58 115.99 3i7s h GLU 15 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3i7s h GLU 15 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3i7s h GLU 15 CO 0.20 0.00 -0.12 1.63 -1.00 0.00 0.00 179.01 179.73 3i7s n LYS 16 N -2.61 1.16 -0.88 2.33 4.01 -1.26 -4.95 118.16 115.96 3i7s n LYS 16 Ca 0.01 -0.62 0.00 0.00 -0.51 0.00 0.00 58.31 57.18 3i7s n LYS 16 Cb 0.21 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 3i7s n LYS 16 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i7s n GLY 17 N 1.25 0.55 3.87 0.72 0.00 -0.68 -5.05 105.19 105.84 3i7s n GLY 17 Ca 0.16 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3i7s n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i7s s ASN 18 N -2.12 6.62 0.19 1.61 0.02 -1.26 -4.83 114.94 115.16 3i7s s ASN 18 Ca 0.00 0.77 -0.33 0.00 -1.02 0.00 0.00 52.86 52.29 3i7s s ASN 18 Cb 0.00 -2.17 -0.15 0.00 0.02 0.00 0.00 41.25 38.96 3i7s s ASN 18 CO 0.00 0.13 1.33 0.55 0.02 0.00 0.00 177.10 179.13 3i7s n VAL 19 N 0.68 0.72 -3.38 1.60 3.14 -1.26 -1.06 118.33 118.77 3i7s n VAL 19 Ca -0.06 -0.18 -0.45 0.00 -2.96 0.00 0.00 64.34 60.69 3i7s n VAL 19 Cb 0.52 -1.18 -0.06 0.00 -1.06 0.00 0.00 33.84 32.06 3i7s n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i7s h ARG 21 N 8.77 1.05 -0.43 0.00 2.43 -1.92 -1.83 114.38 122.45 3i7s h ARG 21 Ca -0.28 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.71 3i7s h ARG 21 Cb 1.10 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3i7s h ARG 21 CO 0.96 0.70 -0.18 0.00 -1.51 0.00 0.00 179.97 179.94 3i7s h ALA 22 N 1.49 0.87 -0.19 2.80 0.00 -1.98 -1.77 119.26 120.47 3i7s h ALA 22 Ca 0.38 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3i7s h ALA 22 Cb 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i7s h ALA 22 CO -0.13 0.64 -0.57 0.77 0.00 0.00 0.00 179.25 179.95 3i7s h SER 23 N 0.73 0.67 -0.45 0.00 0.02 -1.78 -2.63 113.55 110.10 3i7s h SER 23 Ca 0.11 -0.37 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 3i7s h SER 23 Cb 0.70 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3i7s h SER 23 CO 0.05 1.10 0.00 0.25 -1.14 0.00 0.00 176.83 177.09 3i7s h LEU 24 N 0.45 0.83 -0.33 5.07 5.85 -1.18 -2.08 115.31 123.93 3i7s h LEU 24 Ca 0.00 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 3i7s h LEU 24 Cb 1.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3i7s h LEU 24 CO 0.11 0.90 -0.01 0.50 -0.34 0.00 0.00 178.44 179.60 3i7s h LYS 25 N 0.80 0.60 -0.57 1.25 3.11 -1.22 -1.73 116.57 118.81 3i7s h LYS 25 Ca 0.15 -0.20 0.06 0.00 -2.81 0.00 0.00 60.65 57.86 3i7s h LYS 25 Cb 0.48 -0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.61 3i7s h LYS 25 CO 0.02 0.73 0.28 -0.22 -2.81 0.00 0.00 179.45 177.45 3i7s h LYS 26 N 0.40 0.50 -0.84 1.90 1.63 -1.29 -0.99 116.57 117.88 3i7s h LYS 26 Ca 0.09 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3i7s h LYS 26 Cb 0.47 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.95 3i7s h LYS 26 CO 0.02 0.33 0.43 -0.07 -3.45 0.00 0.00 179.45 176.72 3i7s h LEU 27 N 0.52 1.07 -0.16 5.20 3.38 -1.14 -0.17 115.31 124.01 3i7s h LEU 27 Ca 0.26 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 3i7s h LEU 27 Cb 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3i7s h LEU 27 CO -0.20 0.88 -0.36 0.40 0.09 0.00 0.00 178.44 179.25 3i7s h ILE 28 N 1.19 1.35 -0.99 1.22 2.04 -0.91 -0.66 117.51 120.75 3i7s h ILE 28 Ca 0.29 -1.61 0.05 0.00 1.00 0.00 0.00 64.86 64.59 3i7s h ILE 28 Cb 0.07 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 3i7s h ILE 28 CO -0.04 0.49 0.65 0.44 0.00 0.00 0.00 178.15 179.68 3i7s h ASP 29 N 0.16 1.06 -0.35 1.72 3.32 -1.08 -0.18 116.42 121.07 3i7s h ASP 29 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i7s h ASP 29 Cb 0.96 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3i7s h ASP 29 CO 0.08 0.70 0.22 0.22 -1.72 0.00 0.00 179.24 178.74 3i7s h TYR 30 N 1.21 0.45 -0.31 4.55 3.20 -0.71 -1.41 116.97 123.96 3i7s h TYR 30 Ca 0.41 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 62.13 3i7s h TYR 30 Cb 0.07 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3i7s h TYR 30 CO -0.00 0.31 -0.40 0.45 -1.64 0.00 0.00 178.16 176.88 3i7s h HIS 31 N 0.46 0.90 -0.38 -3.82 3.86 -0.60 0.12 115.15 115.68 3i7s h HIS 31 Ca 0.13 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3i7s h HIS 31 Cb -0.02 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 3i7s h HIS 31 CO -0.04 1.03 0.24 0.28 0.86 0.00 0.00 177.93 180.30 3i7s h VAL 32 N 0.62 1.11 0.00 2.45 2.07 -0.97 -2.68 116.25 118.84 3i7s h VAL 32 Ca 0.05 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3i7s h VAL 32 Cb 0.95 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3i7s h VAL 32 CO 0.09 0.11 -0.47 0.00 0.02 0.00 0.00 177.57 177.32 3i7s h ALA 33 N 1.12 1.13 -0.01 1.67 0.00 -1.15 -3.23 119.26 118.79 3i7s h ALA 33 Ca 0.14 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i7s h ALA 33 Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3i7s h ALA 33 CO -0.03 0.58 -0.15 0.43 0.00 0.00 0.00 179.25 180.09 3i7s n SER 34 N -3.84 0.97 0.00 0.00 7.64 0.02 -4.94 113.62 113.46 3i7s n SER 34 Ca -0.01 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.90 3i7s n SER 34 Cb 0.51 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 3i7s n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i7s n GLY 35 N 1.27 0.46 3.70 0.23 0.00 -1.04 -4.21 105.19 105.60 3i7s n GLY 35 Ca 0.15 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 3i7s n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i7s n THR 36 N -2.93 0.78 -0.01 2.61 -1.04 -1.08 -4.84 114.28 107.77 3i7s n THR 36 Ca 0.00 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.05 61.69 3i7s n THR 36 Cb 0.00 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 3i7s n THR 36 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3i7s h SER 37 N 4.81 0.75 -5.06 8.00 0.02 -0.73 -3.46 113.55 117.87 3i7s h SER 37 Ca -0.45 -0.43 0.09 0.00 -0.84 0.00 0.00 61.79 60.16 3i7s h SER 37 Cb 1.25 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 3i7s h SER 37 CO 0.80 1.19 0.34 0.00 -1.14 0.00 0.00 176.83 178.02 3i7s s ALA 38 N -3.90 -1.49 -0.17 3.77 0.00 -1.24 -4.34 121.76 114.39 3i7s s ALA 38 Ca -0.08 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 3i7s s ALA 38 Cb 0.10 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 3i7s s ALA 38 CO 0.87 -0.96 -0.08 0.42 0.00 0.00 0.00 175.76 176.01 3i7s s ILE 39 N -3.59 3.29 -0.37 0.00 1.01 -0.18 -1.59 121.20 119.77 3i7s s ILE 39 Ca 0.09 -0.55 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 3i7s s ILE 39 Cb -0.03 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 40.02 3i7s s ILE 39 CO 0.00 0.48 0.77 -0.69 0.00 0.00 0.00 174.94 175.51 3i7s s VAL 40 N 0.77 4.73 -0.20 2.92 1.01 0.58 -0.03 120.40 130.19 3i7s s VAL 40 Ca -0.03 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 62.60 3i7s s VAL 40 Cb -0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3i7s s VAL 40 CO 0.02 -0.46 0.35 -0.55 0.00 0.00 0.00 175.10 174.45 3i7s s SER 41 N 1.88 6.41 -1.26 3.32 0.15 0.58 -2.50 113.70 122.27 3i7s s SER 41 Ca 0.31 0.47 -0.03 0.00 0.70 0.00 0.00 55.95 57.40 3i7s s SER 41 Cb -0.13 -2.21 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 3i7s s SER 41 CO 0.17 -0.02 1.02 0.52 1.20 0.00 0.00 173.24 176.13 3i7s n VAL 42 N 4.17 -4.94 -1.04 4.45 0.31 -1.26 -1.15 118.33 118.87 3i7s n VAL 42 Ca -0.10 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 3i7s n VAL 42 Cb 0.51 -4.55 0.00 0.00 -0.91 0.00 0.00 33.84 28.89 3i7s n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7s n GLY 43 N -1.42 0.72 0.12 2.92 0.00 -1.26 -4.19 105.19 102.09 3i7s n GLY 43 Ca -0.20 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 3i7s n GLY 43 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i7s h THR 44 N 0.00 0.77 0.00 2.61 2.02 -1.96 0.91 112.91 117.25 3i7s h THR 44 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3i7s h THR 44 Cb 0.00 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3i7s h THR 44 CO 0.00 0.00 -0.07 0.74 0.37 0.00 0.00 175.52 176.56 3i7s h THR 45 N -0.07 0.72 -0.24 3.16 2.02 -1.88 -0.74 112.91 115.88 3i7s h THR 45 Ca 0.08 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3i7s h THR 45 Cb 0.18 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3i7s h THR 45 CO -0.17 0.07 0.00 0.61 0.37 0.00 0.00 175.52 176.40 3i7s n GLY 46 N -1.10 0.81 3.56 2.16 0.00 0.27 -4.28 105.19 106.61 3i7s n GLY 46 Ca -0.03 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 3i7s n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7s n GLU 47 N 0.25 -7.34 -0.19 1.61 1.02 -0.28 -4.24 120.64 111.47 3i7s n GLU 47 Ca 0.09 0.82 0.15 0.00 -0.02 0.00 0.00 57.16 58.20 3i7s n GLU 47 Cb 0.34 -5.85 0.48 0.00 -0.02 0.00 0.00 31.44 26.39 3i7s n GLU 47 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3i7s h SER 48 N -2.39 0.44 -0.71 1.62 4.64 -1.62 -2.21 113.55 113.33 3i7s h SER 48 Ca -0.58 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 60.81 3i7s h SER 48 Cb 1.36 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 3i7s h SER 48 CO 0.54 0.22 0.47 0.00 -0.87 0.00 0.00 176.83 177.19 3i7s h ALA 49 N 1.63 1.62 -0.27 5.18 0.00 -1.87 -3.15 119.26 122.39 3i7s h ALA 49 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3i7s h ALA 49 Cb 0.84 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i7s h ALA 49 CO -0.14 0.31 0.00 0.25 0.00 0.00 0.00 179.25 179.67 3i7s n THR 50 N -4.46 1.55 -4.07 0.00 -2.24 -0.84 -4.87 114.28 99.35 3i7s n THR 50 Ca 0.09 -1.40 -0.35 0.00 -2.27 0.00 0.00 64.05 60.12 3i7s n THR 50 Cb 0.14 0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 3i7s n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i7s s LEU 51 N -1.80 3.83 0.75 3.22 1.43 -1.17 -5.02 118.68 119.91 3i7s s LEU 51 Ca 0.30 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 3i7s s LEU 51 Cb 0.21 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.53 3i7s s LEU 51 CO 0.11 0.24 1.09 0.54 0.23 0.00 0.00 176.35 178.57 3i7s s ASN 52 N -0.03 4.65 0.52 2.29 2.20 -1.26 -4.73 114.94 118.58 3i7s s ASN 52 Ca 0.06 1.86 0.31 0.00 -0.94 0.00 0.00 52.86 54.15 3i7s s ASN 52 Cb -0.12 -2.53 1.44 0.00 -2.00 0.00 0.00 41.25 38.04 3i7s s ASN 52 CO 0.01 -1.94 1.84 0.45 -2.94 0.00 0.00 177.10 174.52 3i7s h HIS 53 N -0.88 0.11 -0.09 1.54 3.86 -1.98 0.12 115.15 117.84 3i7s h HIS 53 Ca -0.44 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.65 3i7s h HIS 53 Cb 1.23 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 29.68 3i7s h HIS 53 CO 0.57 0.02 -0.44 0.22 0.86 0.00 0.00 177.93 179.16 3i7s h ASP 54 N 0.07 0.53 -0.55 2.45 -0.00 -1.99 -1.38 116.42 115.55 3i7s h ASP 54 Ca 0.50 -0.65 -0.08 0.00 -0.00 0.00 0.00 57.03 56.81 3i7s h ASP 54 Cb 1.86 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 41.01 3i7s h ASP 54 CO -0.05 1.10 0.05 -0.33 -0.00 0.00 0.00 179.24 180.00 3i7s h GLU 55 N 0.00 0.94 -0.16 0.28 5.08 -1.49 -1.23 114.58 118.00 3i7s h GLU 55 Ca -0.03 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 3i7s h GLU 55 Cb 1.09 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.18 3i7s h GLU 55 CO 0.09 0.92 -0.26 1.25 -1.00 0.00 0.00 179.01 180.02 3i7s h HIS 56 N 0.82 -0.68 -0.50 4.33 2.76 -0.84 0.16 115.15 121.20 3i7s h HIS 56 Ca 0.16 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 3i7s h HIS 56 Cb 0.47 0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.73 3i7s h HIS 56 CO 0.03 -0.34 0.33 0.00 -1.30 0.00 0.00 177.93 176.66 3i7s h ALA 57 N 0.65 0.63 -0.77 5.26 0.00 -1.18 -1.89 119.26 121.96 3i7s h ALA 57 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i7s h ALA 57 Cb 0.47 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3i7s h ALA 57 CO -0.34 0.07 0.51 -0.44 0.00 0.00 0.00 179.25 179.05 3i7s h ASP 58 N 0.66 0.87 -0.44 0.00 3.32 -0.50 0.70 116.42 121.03 3i7s h ASP 58 Ca 0.18 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3i7s h ASP 58 Cb -0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3i7s h ASP 58 CO -0.05 0.62 0.13 0.58 -1.72 0.00 0.00 179.24 178.81 3i7s h VAL 59 N 1.03 1.22 -0.76 -1.35 2.07 -0.52 0.15 116.25 118.10 3i7s h VAL 59 Ca 0.29 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3i7s h VAL 59 Cb -0.09 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3i7s h VAL 59 CO -0.07 0.27 0.38 0.58 0.02 0.00 0.00 177.57 178.75 3i7s h VAL 60 N 0.57 1.24 -0.43 2.57 2.07 -0.99 -0.68 116.25 120.60 3i7s h VAL 60 Ca 0.14 -0.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 3i7s h VAL 60 Cb 0.28 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3i7s h VAL 60 CO -0.00 0.28 -0.29 0.24 0.02 0.00 0.00 177.57 177.81 3i7s h MET 61 N 1.06 0.95 -0.35 1.57 2.07 -0.41 -1.50 114.93 118.32 3i7s h MET 61 Ca 0.26 -0.44 0.01 0.00 -2.07 0.00 0.00 59.70 57.46 3i7s h MET 61 Cb 0.09 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.79 3i7s h MET 61 CO -0.04 1.11 0.21 1.98 1.07 0.00 0.00 176.91 181.24 3i7s h MET 62 N 0.80 0.41 -0.42 1.72 -1.53 -0.58 -1.30 114.93 114.03 3i7s h MET 62 Ca 0.09 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.32 3i7s h MET 62 Cb 0.87 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.81 3i7s h MET 62 CO 0.08 0.27 0.26 1.15 0.14 0.00 0.00 176.91 178.81 3i7s h THR 63 N 0.42 1.13 -0.50 -0.77 2.02 -0.86 0.08 112.91 114.43 3i7s h THR 63 Ca 0.13 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.07 3i7s h THR 63 Cb -0.01 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 3i7s h THR 63 CO -0.06 0.13 0.28 -0.07 0.37 0.00 0.00 175.52 176.17 3i7s h LEU 64 N 0.55 0.44 -0.04 2.58 3.38 -1.16 0.92 115.31 121.98 3i7s h LEU 64 Ca 0.15 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3i7s h LEU 64 Cb -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3i7s h LEU 64 CO -0.03 0.31 -0.11 -0.78 0.09 0.00 0.00 178.44 177.92 3i7s h ASP 65 N 0.55 -0.32 -0.42 -0.43 3.58 -0.47 -1.17 116.42 117.74 3i7s h ASP 65 Ca 0.21 0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.60 3i7s h ASP 65 Cb 0.06 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3i7s h ASP 65 CO -0.11 -0.15 -0.14 -0.07 -2.88 0.00 0.00 179.24 175.88 3i7s h LEU 66 N -0.17 0.90 -1.64 2.28 3.38 -0.88 -2.29 115.31 116.89 3i7s h LEU 66 Ca 0.05 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.76 3i7s h LEU 66 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3i7s h LEU 66 CO -0.14 1.04 0.30 0.00 0.09 0.00 0.00 178.44 179.74 3i7s h ALA 67 N 1.03 1.85 -5.91 1.53 0.00 -0.57 -3.46 119.26 113.73 3i7s h ALA 67 Ca 0.12 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.60 3i7s h ALA 67 Cb 0.68 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.20 3i7s h ALA 67 CO 0.05 0.09 -0.61 -3.47 0.00 0.00 0.00 179.25 175.31 3i7s n ASP 68 N -4.48 -3.14 0.00 0.00 2.03 -0.46 -0.69 116.55 109.82 3i7s n ASP 68 Ca 0.05 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.81 3i7s n ASP 68 Cb 0.18 -2.62 0.00 0.00 -0.72 0.00 0.00 41.12 37.96 3i7s n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i7s n GLY 69 N -1.14 0.73 0.15 0.27 0.00 -1.26 -4.91 105.19 99.04 3i7s n GLY 69 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 3i7s n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i7s h ARG 70 N 2.10 0.00 -2.63 1.61 3.08 -1.27 -3.45 114.38 113.81 3i7s h ARG 70 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3i7s h ARG 70 Cb 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.81 3i7s h ARG 70 CO 0.00 0.08 -0.21 -1.50 -1.07 0.00 0.00 179.97 177.28 3i7s s ILE 71 N -3.22 -0.01 0.35 2.04 2.07 -1.26 -4.98 121.20 116.20 3i7s s ILE 71 Ca 0.02 0.02 -0.28 0.00 -1.41 0.00 0.00 60.65 59.00 3i7s s ILE 71 Cb 0.08 -0.63 -0.11 0.00 0.13 0.00 0.00 42.46 41.93 3i7s s ILE 71 CO 0.74 0.01 1.43 -2.84 -1.91 0.00 0.00 174.94 172.38 3i7s s PRO 72 N 0.52 4.19 -0.09 3.50 0.02 -1.26 -4.90 135.00 136.98 3i7s s PRO 72 Ca -0.02 2.45 0.02 0.00 0.02 0.00 0.00 61.00 63.47 3i7s s PRO 72 Cb -0.04 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.45 3i7s s PRO 72 CO -0.03 -0.43 -0.13 0.08 -0.33 0.00 0.00 177.00 176.16 3i7s s VAL 73 N -1.04 3.08 -0.11 3.83 1.01 -1.26 -1.01 120.40 124.89 3i7s s VAL 73 Ca 0.52 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3i7s s VAL 73 Cb -0.44 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3i7s s VAL 73 CO 0.59 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 175.49 3i7s s ILE 74 N -0.18 3.15 -0.03 2.22 1.01 0.96 -1.05 121.20 127.28 3i7s s ILE 74 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 3i7s s ILE 74 Cb -0.13 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3i7s s ILE 74 CO 0.03 0.54 0.39 0.00 0.00 0.00 0.00 174.94 175.90 3i7s s ALA 75 N 0.10 3.67 0.12 9.38 0.00 -0.84 -0.31 121.76 133.89 3i7s s ALA 75 Ca -0.05 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 3i7s s ALA 75 Cb -0.15 -2.40 -0.07 0.00 0.00 0.00 0.00 23.12 20.51 3i7s s ALA 75 CO 0.04 0.41 1.19 0.20 0.00 0.00 0.00 175.76 177.60 3i7s s GLY 76 N -0.77 2.54 0.00 0.00 0.00 -0.30 -0.84 107.32 107.94 3i7s s GLY 76 Ca 0.23 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.84 3i7s s GLY 76 CO 0.12 1.94 0.78 -1.30 0.00 0.00 0.00 173.10 174.64 3i7s n THR 77 N 3.25 0.00 -2.00 0.90 -2.24 -0.71 -4.88 114.28 108.61 3i7s n THR 77 Ca 0.07 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.52 3i7s n THR 77 Cb 0.46 0.66 0.02 0.00 -2.10 0.00 0.00 70.33 69.37 3i7s n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i7s s GLY 78 N -0.59 2.22 0.09 3.38 0.00 -1.25 -4.75 107.32 106.41 3i7s s GLY 78 Ca 0.00 0.51 -0.21 0.00 0.00 0.00 0.00 44.72 45.02 3i7s s GLY 78 CO 0.00 0.85 0.51 0.00 0.00 0.00 0.00 173.10 174.46 3i7s s ALA 79 N -2.30 -1.29 -2.22 3.20 0.00 -1.26 -4.88 121.76 113.01 3i7s s ALA 79 Ca 0.66 0.43 0.19 0.00 0.00 0.00 0.00 51.96 53.24 3i7s s ALA 79 Cb -0.19 0.55 0.56 0.00 0.00 0.00 0.00 23.12 24.04 3i7s s ALA 79 CO 0.36 -0.58 1.44 0.27 0.00 0.00 0.00 175.76 177.25 3i7s n ASN 80 N 0.12 2.27 -4.16 0.00 6.94 -1.26 -4.45 115.26 114.73 3i7s n ASN 80 Ca -0.18 -1.87 -0.32 0.00 -0.02 0.00 0.00 54.58 52.20 3i7s n ASN 80 Cb 0.62 -0.20 -0.17 0.00 -2.36 0.00 0.00 39.78 37.67 3i7s n ASN 80 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i7s s ALA 81 N -1.59 2.17 0.29 -2.53 0.00 -1.26 -4.86 121.76 113.97 3i7s s ALA 81 Ca 0.33 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3i7s s ALA 81 Cb 0.18 -0.96 0.56 0.00 0.00 0.00 0.00 23.12 22.89 3i7s s ALA 81 CO 0.25 -0.02 1.85 1.15 0.00 0.00 0.00 175.76 178.98 3i7s h THR 82 N 5.84 0.94 -0.24 0.00 2.02 -1.94 -0.19 112.91 119.33 3i7s h THR 82 Ca -0.32 -0.34 -0.13 0.00 0.77 0.00 0.00 66.41 66.39 3i7s h THR 82 Cb 1.19 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3i7s h THR 82 CO 0.54 0.18 -0.38 0.00 0.37 0.00 0.00 175.52 176.23 3i7s h ALA 83 N 1.54 0.88 -0.25 6.16 0.00 -1.97 -1.18 119.26 124.44 3i7s h ALA 83 Ca 0.48 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3i7s h ALA 83 Cb 0.46 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i7s h ALA 83 CO -0.25 0.63 -0.50 0.93 0.00 0.00 0.00 179.25 180.07 3i7s h GLU 84 N 0.46 0.70 -0.41 0.00 4.39 -1.75 -1.50 114.58 116.47 3i7s h GLU 84 Ca 0.04 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 3i7s h GLU 84 Cb 0.87 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 3i7s h GLU 84 CO 0.07 1.04 0.21 0.00 -1.16 0.00 0.00 179.01 179.17 3i7s h ALA 85 N 0.89 0.53 -0.24 3.43 0.00 -0.68 0.45 119.26 123.64 3i7s h ALA 85 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3i7s h ALA 85 Cb 1.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3i7s h ALA 85 CO 0.10 0.07 0.12 0.82 0.00 0.00 0.00 179.25 180.36 3i7s h ILE 86 N 0.52 1.13 -0.60 0.00 2.04 -1.20 -1.58 117.51 117.83 3i7s h ILE 86 Ca 0.14 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3i7s h ILE 86 Cb 0.09 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3i7s h ILE 86 CO -0.02 0.13 0.32 -1.28 0.00 0.00 0.00 178.15 177.30 3i7s h SER 87 N 0.26 0.76 -0.43 1.72 0.87 -1.04 -1.66 113.55 114.03 3i7s h SER 87 Ca 0.08 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 3i7s h SER 87 Cb 0.10 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3i7s h SER 87 CO -0.01 0.64 0.03 0.25 -0.53 0.00 0.00 176.83 177.22 3i7s h LEU 88 N 0.81 0.77 -0.91 2.23 5.85 -0.79 -2.71 115.31 120.56 3i7s h LEU 88 Ca 0.21 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3i7s h LEU 88 Cb 0.06 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3i7s h LEU 88 CO -0.03 0.81 0.59 0.74 -0.34 0.00 0.00 178.44 180.21 3i7s h THR 89 N 0.76 1.24 -0.10 1.05 2.02 -0.45 -2.71 112.91 114.71 3i7s h THR 89 Ca 0.15 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.89 3i7s h THR 89 Cb 0.41 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3i7s h THR 89 CO 0.01 0.24 0.07 1.56 0.37 0.00 0.00 175.52 177.77 3i7s h GLN 90 N 1.24 0.05 0.00 6.66 1.08 -1.00 -0.91 115.11 122.23 3i7s h GLN 90 Ca 0.33 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.52 3i7s h GLN 90 Cb -0.12 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3i7s h GLN 90 CO -0.07 0.03 -0.05 0.00 -0.95 0.00 0.00 178.83 177.80 3i7s h ARG 91 N 0.05 0.00 -0.01 1.46 3.08 -1.47 -2.96 114.38 114.54 3i7s h ARG 91 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i7s h ARG 91 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3i7s h ARG 91 CO -0.00 0.05 -0.41 1.19 -1.07 0.00 0.00 179.97 179.72 3i7s n PHE 92 N -3.25 0.00 -1.71 3.04 3.72 -0.36 -4.91 117.46 113.98 3i7s n PHE 92 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 3i7s n PHE 92 Cb 0.23 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 3i7s n PHE 92 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3i7s n ASN 93 N -0.15 3.77 -2.23 4.37 3.02 -1.12 -2.29 115.26 120.63 3i7s n ASN 93 Ca 0.07 1.07 -0.19 0.00 -0.03 0.00 0.00 54.58 55.50 3i7s n ASN 93 Cb 0.38 -1.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.00 3i7s n ASN 93 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3i7s n ASP 94 N 3.67 -5.58 -0.04 6.41 8.00 -1.26 -4.89 116.55 122.85 3i7s n ASP 94 Ca 0.16 -0.03 -0.08 0.00 0.71 0.00 0.00 54.79 55.55 3i7s n ASP 94 Cb 0.34 -4.62 -0.14 0.00 -0.02 0.00 0.00 41.12 36.68 3i7s n ASP 94 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3i7s n SER 95 N -1.72 0.63 0.00 -2.24 3.41 -0.97 -4.99 113.62 107.73 3i7s n SER 95 Ca -0.23 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3i7s n SER 95 Cb 0.67 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 3i7s n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7s n GLY 96 N 1.60 2.04 3.74 5.00 0.00 -1.26 -5.08 105.19 111.22 3i7s n GLY 96 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3i7s n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i7s s ILE 97 N -1.86 2.33 -1.45 -0.61 -4.36 -1.26 -4.76 121.20 109.23 3i7s s ILE 97 Ca 0.00 0.19 0.24 0.00 -0.26 0.00 0.00 60.65 60.82 3i7s s ILE 97 Cb 0.00 -2.97 0.03 0.00 1.25 0.00 0.00 42.46 40.77 3i7s s ILE 97 CO 0.00 -0.06 1.28 1.33 0.24 0.00 0.00 174.94 177.73 3i7s n VAL 98 N -2.07 0.00 0.00 8.37 0.24 -0.21 -4.99 118.33 119.67 3i7s n VAL 98 Ca 0.14 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3i7s n VAL 98 Cb 0.49 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 3i7s n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i7s n GLY 99 N 1.44 -0.71 3.27 7.63 0.00 -1.26 -4.38 105.19 111.18 3i7s n GLY 99 Ca 0.08 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 3i7s n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7s s LEU 101 N -0.75 4.31 -0.18 0.00 2.96 -0.02 0.48 118.68 125.48 3i7s s LEU 101 Ca 0.09 -0.75 0.01 0.00 -0.22 0.00 0.00 54.13 53.26 3i7s s LEU 101 Cb -0.09 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.64 3i7s s LEU 101 CO -0.00 -0.27 -0.17 0.28 -1.32 0.00 0.00 176.35 174.87 3i7s s THR 102 N 1.57 1.89 0.40 3.68 -1.32 0.35 -1.73 115.64 120.48 3i7s s THR 102 Ca 0.03 -0.89 -0.16 0.00 -1.21 0.00 0.00 61.69 59.46 3i7s s THR 102 Cb -0.18 -1.76 -0.09 0.00 -1.51 0.00 0.00 72.50 68.97 3i7s s THR 102 CO 0.06 0.46 0.84 0.54 -2.21 0.00 0.00 174.62 174.30 3i7s s VAL 103 N 1.35 4.60 0.29 5.08 0.11 -1.26 -1.24 120.40 129.32 3i7s s VAL 103 Ca 0.04 1.06 -0.30 0.00 -2.93 0.00 0.00 61.98 59.85 3i7s s VAL 103 Cb -0.14 -3.65 -0.12 0.00 -1.53 0.00 0.00 36.38 30.94 3i7s s VAL 103 CO -0.12 -0.38 1.52 0.35 -3.33 0.00 0.00 175.10 173.15 3i7s n THR 104 N -0.84 1.12 -1.57 5.04 -2.24 -0.73 -4.50 114.28 110.57 3i7s n THR 104 Ca 0.05 -0.28 -0.56 0.00 -2.27 0.00 0.00 64.05 60.98 3i7s n THR 104 Cb 0.54 -1.81 -0.07 0.00 -2.10 0.00 0.00 70.33 66.88 3i7s n THR 104 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3i7s n PRO 105 N 1.92 0.58 -3.72 -0.78 -0.02 -1.26 -4.94 135.00 126.78 3i7s n PRO 105 Ca 0.09 0.21 -0.28 0.00 -2.02 0.00 0.00 63.50 61.50 3i7s n PRO 105 Cb 0.35 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 3i7s n PRO 105 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3i7s s TYR 106 N 0.61 3.48 0.00 6.00 -0.85 -1.26 -4.52 117.35 120.81 3i7s s TYR 106 Ca 0.89 0.35 0.00 0.00 -0.52 0.00 0.00 57.07 57.79 3i7s s TYR 106 Cb -1.13 -1.85 0.00 0.00 0.38 0.00 0.00 41.96 39.36 3i7s s TYR 106 CO 0.54 0.40 0.00 0.98 -1.52 0.00 0.00 175.55 175.96 3i7s n TYR 107 N -0.52 0.00 1.08 -3.49 9.36 -0.40 -4.57 117.16 118.61 3i7s n TYR 107 Ca -0.05 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.31 3i7s n TYR 107 Cb 0.53 0.00 0.62 0.00 -0.63 0.00 0.00 39.34 39.86 3i7s n TYR 107 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3i7s n ASN 108 N 2.81 0.00 -3.69 2.98 0.23 -1.26 -4.97 115.26 111.36 3i7s n ASN 108 Ca 0.00 0.25 -0.29 0.00 -0.53 0.00 0.00 54.58 54.00 3i7s n ASN 108 Cb 0.00 -0.41 0.03 0.00 -2.08 0.00 0.00 39.78 37.32 3i7s n ASN 108 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i7s n ARG 109 N -1.41 -1.13 -1.38 -3.83 1.74 -1.26 -4.94 116.66 104.44 3i7s n ARG 109 Ca 0.09 0.56 -0.30 0.00 -0.77 0.00 0.00 57.85 57.43 3i7s n ARG 109 Cb 0.27 -3.76 0.10 0.00 -1.02 0.00 0.00 32.46 28.06 3i7s n ARG 109 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i7s s PRO 110 N -5.70 1.94 1.09 5.56 0.05 -1.26 -5.05 135.00 131.63 3i7s s PRO 110 Ca 0.35 0.84 -0.16 0.00 0.05 0.00 0.00 61.00 62.08 3i7s s PRO 110 Cb -0.14 -1.89 0.23 0.00 0.05 0.00 0.00 34.50 32.76 3i7s s PRO 110 CO 0.87 -1.77 1.11 -1.54 0.05 0.00 0.00 177.00 175.72 3i7s s SER 111 N -3.63 1.88 0.27 6.66 1.04 -1.26 -4.82 113.70 113.85 3i7s s SER 111 Ca 0.61 0.86 -0.01 0.00 0.48 0.00 0.00 55.95 57.89 3i7s s SER 111 Cb -0.16 -1.30 0.37 0.00 0.10 0.00 0.00 66.02 65.04 3i7s s SER 111 CO 0.56 -3.55 1.79 1.56 0.98 0.00 0.00 173.24 174.57 3i7s h GLN 112 N -2.19 0.78 -0.66 4.02 1.08 -1.97 -1.09 115.11 115.08 3i7s h GLN 112 Ca -0.50 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 56.46 3i7s h GLN 112 Cb 1.31 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.61 3i7s h GLN 112 CO 0.47 0.76 0.20 1.49 -0.95 0.00 0.00 178.83 180.80 3i7s h GLU 113 N 0.73 1.02 -0.63 1.46 4.57 -1.99 -0.84 114.58 118.89 3i7s h GLU 113 Ca 0.15 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 3i7s h GLU 113 Cb 0.40 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 3i7s h GLU 113 CO 0.01 0.87 0.14 0.78 -1.18 0.00 0.00 179.01 179.64 3i7s h GLY 114 N 1.06 1.10 1.00 1.92 0.00 -1.76 -2.03 103.07 104.36 3i7s h GLY 114 Ca 0.22 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3i7s h GLY 114 CO -0.01 0.65 0.28 1.41 0.00 0.00 0.00 176.54 178.87 3i7s h LEU 115 N 0.94 0.50 -0.51 3.11 3.38 -0.90 0.62 115.31 122.46 3i7s h LEU 115 Ca 0.20 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3i7s h LEU 115 Cb 0.37 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3i7s h LEU 115 CO 0.00 0.38 0.27 0.22 0.09 0.00 0.00 178.44 179.40 3i7s h TYR 116 N 0.58 0.49 -0.08 1.13 3.20 -1.02 -1.08 116.97 120.20 3i7s h TYR 116 Ca 0.16 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.89 3i7s h TYR 116 Cb -0.05 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 3i7s h TYR 116 CO -0.04 0.25 -0.64 1.96 -1.64 0.00 0.00 178.16 178.05 3i7s h GLN 117 N 0.52 0.29 0.83 1.82 1.08 -1.13 -0.75 115.11 117.77 3i7s h GLN 117 Ca 0.22 -0.21 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 3i7s h GLN 117 Cb 0.11 0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3i7s h GLN 117 CO -0.14 0.83 -0.41 1.25 -0.95 0.00 0.00 178.83 179.40 3i7s h HIS 118 N 0.21 -1.07 -0.21 2.96 2.76 -0.36 -1.70 115.15 117.75 3i7s h HIS 118 Ca -0.01 -0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.00 3i7s h HIS 118 Cb 1.16 0.36 -0.01 0.00 1.55 0.00 0.00 27.41 30.47 3i7s h HIS 118 CO 0.03 -0.66 -0.44 0.74 -1.30 0.00 0.00 177.93 176.30 3i7s h PHE 119 N -1.13 0.61 -0.61 5.26 0.05 -1.21 -2.33 116.94 117.58 3i7s h PHE 119 Ca -0.11 -0.19 -0.03 0.00 3.82 0.00 0.00 57.97 61.46 3i7s h PHE 119 Cb 0.87 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.67 3i7s h PHE 119 CO -0.02 0.86 0.26 -0.22 -0.18 0.00 0.00 178.31 179.01 3i7s h LYS 120 N 0.41 0.91 -0.63 1.51 3.64 -1.14 -1.46 116.57 119.81 3i7s h LYS 120 Ca 0.03 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 3i7s h LYS 120 Cb 0.94 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 3i7s h LYS 120 CO 0.08 0.76 0.10 0.00 -2.27 0.00 0.00 179.45 178.13 3i7s h ALA 121 N 1.10 0.99 -0.25 5.00 0.00 -1.12 -0.94 119.26 124.03 3i7s h ALA 121 Ca 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i7s h ALA 121 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i7s h ALA 121 CO -0.02 0.64 0.09 0.82 0.00 0.00 0.00 179.25 180.78 3i7s h ILE 122 N 0.96 1.19 -0.41 0.00 2.04 -1.31 -3.04 117.51 116.94 3i7s h ILE 122 Ca 0.19 -0.58 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 3i7s h ILE 122 Cb 0.42 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3i7s h ILE 122 CO 0.01 0.19 -0.06 0.00 0.00 0.00 0.00 178.15 178.29 3i7s h ALA 123 N 0.92 1.13 -0.78 1.87 0.00 -1.04 -3.01 119.26 118.35 3i7s h ALA 123 Ca 0.08 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.83 3i7s h ALA 123 Cb 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3i7s h ALA 123 CO -0.00 0.55 0.41 0.93 0.00 0.00 0.00 179.25 181.13 3i7s h GLU 124 N 0.64 0.64 -0.86 0.00 4.39 -1.06 -3.16 114.58 115.17 3i7s h GLU 124 Ca 0.12 -0.04 -0.33 0.00 0.34 0.00 0.00 59.36 59.45 3i7s h GLU 124 Cb 0.49 -0.14 -0.20 0.00 -0.10 0.00 0.00 28.75 28.80 3i7s h GLU 124 CO 0.03 0.42 0.42 0.72 -1.16 0.00 0.00 179.01 179.43 3i7s n HIS 125 N -4.84 2.66 -3.84 4.33 8.25 -1.14 -4.84 115.22 115.81 3i7s n HIS 125 Ca 0.13 -1.42 -0.10 0.00 -0.26 0.00 0.00 57.72 56.07 3i7s n HIS 125 Cb 0.32 -0.78 -0.08 0.00 1.12 0.00 0.00 29.99 30.57 3i7s n HIS 125 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3i7s s THR 126 N -3.04 0.11 -2.03 1.59 -1.32 -1.19 -4.87 115.64 104.89 3i7s s THR 126 Ca 0.55 -0.94 0.24 0.00 -1.21 0.00 0.00 61.69 60.33 3i7s s THR 126 Cb 0.45 -1.02 0.12 0.00 -1.51 0.00 0.00 72.50 70.54 3i7s s THR 126 CO 0.12 -0.52 1.29 0.47 -2.21 0.00 0.00 174.62 173.77 3i7s n ASP 127 N 0.49 1.74 -4.74 8.08 8.00 -1.26 -4.93 116.55 123.93 3i7s n ASP 127 Ca -0.18 -1.34 -0.40 0.00 0.71 0.00 0.00 54.79 53.58 3i7s n ASP 127 Cb 0.60 0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 41.96 3i7s n ASP 127 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i7s s LEU 128 N -2.43 4.59 0.27 0.64 1.43 -1.26 -5.01 118.68 116.90 3i7s s LEU 128 Ca 0.22 1.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.91 3i7s s LEU 128 Cb 0.19 -3.60 -0.13 0.00 0.03 0.00 0.00 46.19 42.67 3i7s s LEU 128 CO 0.53 0.07 1.37 -2.65 0.23 0.00 0.00 176.35 175.89 3i7s n PRO 129 N 1.98 2.03 -4.98 1.29 -0.02 -1.26 -4.84 135.00 129.20 3i7s n PRO 129 Ca -0.00 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.87 3i7s n PRO 129 Cb 0.48 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 3i7s n PRO 129 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i7s s GLN 130 N -0.79 2.95 -0.19 -0.52 -1.52 0.14 -0.73 119.66 118.99 3i7s s GLN 130 Ca 0.65 -0.77 -0.03 0.00 -1.95 0.00 0.00 55.36 53.26 3i7s s GLN 130 Cb -0.63 -2.42 -0.01 0.00 -0.22 0.00 0.00 33.01 29.73 3i7s s GLN 130 CO 0.53 0.34 -0.08 0.42 -0.25 0.00 0.00 175.29 176.25 3i7s s ILE 131 N -0.01 3.20 0.45 1.08 1.01 0.18 -1.37 121.20 125.74 3i7s s ILE 131 Ca -0.05 -0.56 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 3i7s s ILE 131 Cb -0.15 -2.42 -0.08 0.00 0.01 0.00 0.00 42.46 39.82 3i7s s ILE 131 CO 0.05 0.46 1.12 -0.76 0.00 0.00 0.00 174.94 175.81 3i7s s LEU 132 N 1.17 4.03 -0.12 2.97 1.43 -0.59 -0.49 118.68 127.08 3i7s s LEU 132 Ca 0.02 2.20 -0.01 0.00 -1.03 0.00 0.00 54.13 55.31 3i7s s LEU 132 Cb -0.14 -4.25 0.03 0.00 0.03 0.00 0.00 46.19 41.86 3i7s s LEU 132 CO -0.02 -0.79 -0.04 -0.47 0.23 0.00 0.00 176.35 175.26 3i7s s TYR 133 N -1.61 1.25 -0.23 0.29 5.04 -0.38 0.19 117.35 121.91 3i7s s TYR 133 Ca 0.62 -0.67 -0.02 0.00 -2.44 0.00 0.00 57.07 54.57 3i7s s TYR 133 Cb -0.26 -1.11 0.02 0.00 0.35 0.00 0.00 41.96 40.96 3i7s s TYR 133 CO 0.32 -0.49 -0.08 1.21 -1.34 0.00 0.00 175.55 175.16 3i7s s ASN 134 N 1.78 4.15 -0.43 4.32 2.47 -0.48 -1.77 114.94 124.99 3i7s s ASN 134 Ca 0.03 -0.76 0.07 0.00 0.42 0.00 0.00 52.86 52.62 3i7s s ASN 134 Cb -0.14 -1.65 0.22 0.00 -1.45 0.00 0.00 41.25 38.24 3i7s s ASN 134 CO -0.07 -0.09 0.58 0.55 -3.72 0.00 0.00 177.10 174.34 3i7s n VAL 135 N 4.68 -0.60 -0.05 -5.21 3.14 -1.26 -0.99 118.33 118.04 3i7s n VAL 135 Ca -0.17 -3.08 0.21 0.00 -2.96 0.00 0.00 64.34 58.34 3i7s n VAL 135 Cb 0.48 -0.90 0.67 0.00 -1.06 0.00 0.00 33.84 33.04 3i7s n VAL 135 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3i7s h PRO 136 N 4.45 0.05 0.00 1.45 0.11 -1.92 -0.18 132.00 135.96 3i7s h PRO 136 Ca 0.07 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 3i7s h PRO 136 Cb 0.94 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3i7s h PRO 136 CO 0.37 0.04 -0.07 0.66 -0.21 0.00 0.00 178.00 178.79 3i7s h SER 137 N 0.06 0.00 0.05 -2.05 4.64 -1.95 -1.53 113.55 112.77 3i7s h SER 137 Ca 0.29 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.32 3i7s h SER 137 Cb 1.09 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.12 3i7s h SER 137 CO -0.02 0.07 -2.25 0.54 -0.87 0.00 0.00 176.83 174.30 3i7s n ARG 138 N -3.51 0.68 -0.06 4.77 1.74 -0.11 -4.71 116.66 115.47 3i7s n ARG 138 Ca -0.02 -0.02 -0.02 0.00 -0.77 0.00 0.00 57.85 57.02 3i7s n ARG 138 Cb 0.19 -1.54 -0.15 0.00 -1.02 0.00 0.00 32.46 29.94 3i7s n ARG 138 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i7s n THR 139 N -2.69 0.79 -0.99 0.55 -2.24 -1.03 -4.77 114.28 103.90 3i7s n THR 139 Ca -0.26 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 3i7s n THR 139 Cb 1.04 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3i7s n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7s n GLY 140 N 1.68 0.43 3.08 3.38 0.00 -0.59 -1.27 105.19 111.90 3i7s n GLY 140 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 3i7s n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7s s ASP 142 N -1.78 3.67 -0.55 0.00 2.15 -1.26 -3.80 116.67 115.09 3i7s s ASP 142 Ca -0.07 -0.99 -0.28 0.00 0.43 0.00 0.00 52.55 51.65 3i7s s ASP 142 Cb -0.08 -1.40 0.01 0.00 -0.30 0.00 0.00 42.92 41.14 3i7s s ASP 142 CO -0.00 -0.12 1.50 -0.22 -0.17 0.00 0.00 175.17 176.16 3i7s s LEU 143 N 1.27 3.40 0.50 -1.34 2.96 -1.26 -4.99 118.68 119.22 3i7s s LEU 143 Ca -0.02 0.37 -0.19 0.00 -0.22 0.00 0.00 54.13 54.07 3i7s s LEU 143 Cb -0.17 -3.02 -0.08 0.00 0.50 0.00 0.00 46.19 43.42 3i7s s LEU 143 CO -0.08 -1.79 1.02 -0.76 -1.32 0.00 0.00 176.35 173.42 3i7s s LEU 144 N 6.50 3.76 0.29 -0.68 1.43 -1.26 -4.84 118.68 123.89 3i7s s LEU 144 Ca 0.56 1.83 0.03 0.00 -1.03 0.00 0.00 54.13 55.52 3i7s s LEU 144 Cb -0.12 -4.55 0.71 0.00 0.03 0.00 0.00 46.19 42.26 3i7s s LEU 144 CO 0.25 -0.78 1.67 -0.65 0.23 0.00 0.00 176.35 177.08 3i7s h PRO 145 N 1.31 0.29 -0.69 1.29 0.11 -1.95 0.20 132.00 132.57 3i7s h PRO 145 Ca -0.49 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.69 3i7s h PRO 145 Cb 1.21 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3i7s h PRO 145 CO 0.59 0.19 0.36 1.05 -0.21 0.00 0.00 178.00 179.99 3i7s h GLU 146 N 0.30 0.62 -0.42 1.05 9.09 -1.92 0.48 114.58 123.78 3i7s h GLU 146 Ca 0.55 -0.04 -0.15 0.00 0.05 0.00 0.00 59.36 59.77 3i7s h GLU 146 Cb 1.07 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 28.02 3i7s h GLU 146 CO -0.58 0.41 -0.33 1.15 0.05 0.00 0.00 179.01 179.71 3i7s h THR 147 N 0.64 1.27 -0.92 -1.06 2.02 -1.39 -2.02 112.91 111.45 3i7s h THR 147 Ca 0.33 -1.50 0.04 0.00 0.77 0.00 0.00 66.41 66.05 3i7s h THR 147 Cb 0.29 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 3i7s h THR 147 CO -0.23 0.51 0.60 0.58 0.37 0.00 0.00 175.52 177.34 3i7s h VAL 148 N 0.79 1.14 -0.37 3.16 2.07 -0.37 -0.85 116.25 121.82 3i7s h VAL 148 Ca 0.08 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3i7s h VAL 148 Cb 0.91 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3i7s h VAL 148 CO 0.08 0.21 0.21 1.23 0.02 0.00 0.00 177.57 179.32 3i7s h GLY 149 N 1.15 0.51 0.56 2.17 0.00 -0.51 0.38 103.07 107.33 3i7s h GLY 149 Ca 0.37 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.59 3i7s h GLY 149 CO -0.13 0.13 -0.11 3.21 0.00 0.00 0.00 176.54 179.64 3i7s h ARG 150 N 0.42 -0.13 -0.06 4.80 3.08 -1.09 -3.10 114.38 118.30 3i7s h ARG 150 Ca 0.15 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 3i7s h ARG 150 Cb 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3i7s h ARG 150 CO -0.09 -0.09 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.39 3i7s h LEU 151 N -0.13 0.11 -2.45 3.04 3.38 -0.68 -2.84 115.31 115.74 3i7s h LEU 151 Ca 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i7s h LEU 151 Cb 0.26 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3i7s h LEU 151 CO -0.20 0.38 -0.02 0.00 0.09 0.00 0.00 178.44 178.69 3i7s h ALA 152 N 1.63 1.10 0.00 1.53 0.00 -0.85 -0.95 119.26 121.72 3i7s h ALA 152 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i7s h ALA 152 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i7s h ALA 152 CO 0.04 0.02 0.00 0.87 0.00 0.00 0.00 179.25 180.18 3i7s h LYS 153 N 0.00 0.00 -6.63 0.00 1.57 -1.56 -3.43 116.57 106.51 3i7s h LYS 153 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.25 3i7s h LYS 153 Cb 0.16 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.50 3i7s h LYS 153 CO 0.00 0.00 0.64 0.08 -0.57 0.00 0.00 179.45 179.60 3i7s s VAL 154 N -3.46 3.37 0.18 0.50 1.01 -0.36 -4.95 120.40 116.69 3i7s s VAL 154 Ca 0.04 1.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.98 3i7s s VAL 154 Cb 0.09 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.85 3i7s s VAL 154 CO 0.54 0.14 1.77 0.50 0.00 0.00 0.00 175.10 178.06 3i7s h LYS 155 N 5.73 0.44 -0.57 2.72 3.64 -1.87 -2.73 116.57 123.93 3i7s h LYS 155 Ca -0.44 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3i7s h LYS 155 Cb 1.21 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3i7s h LYS 155 CO 0.79 0.29 0.00 0.27 -2.27 0.00 0.00 179.45 178.53 3i7s n ASN 156 N -4.92 4.12 -4.48 4.20 6.94 -1.26 -4.70 115.26 115.16 3i7s n ASN 156 Ca 0.05 -2.29 -0.43 0.00 -0.02 0.00 0.00 54.58 51.88 3i7s n ASN 156 Cb 0.15 -0.48 -0.05 0.00 -2.36 0.00 0.00 39.78 37.04 3i7s n ASN 156 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3i7s s ILE 157 N -1.55 4.69 -1.00 1.53 1.01 -1.03 0.27 121.20 125.12 3i7s s ILE 157 Ca 0.44 -0.18 0.15 0.00 0.00 0.00 0.00 60.65 61.06 3i7s s ILE 157 Cb 0.27 -4.39 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 3i7s s ILE 157 CO 0.24 -0.92 0.70 2.30 0.00 0.00 0.00 174.94 177.26 3i7s n ILE 158 N 5.84 0.00 -3.80 2.92 -5.35 -0.47 -4.73 119.36 113.77 3i7s n ILE 158 Ca -0.03 -0.25 0.03 0.00 -0.27 0.00 0.00 62.75 62.23 3i7s n ILE 158 Cb 0.46 1.08 0.01 0.00 -1.74 0.00 0.00 39.64 39.45 3i7s n ILE 158 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i7s s GLY 159 N -2.10 -0.29 -0.01 3.28 0.00 -1.24 -1.38 107.32 105.58 3i7s s GLY 159 Ca 0.09 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.22 3i7s s GLY 159 CO 0.49 3.13 0.01 -1.50 0.00 0.00 0.00 173.10 175.22 3i7s s ILE 160 N -2.14 0.03 -0.31 0.90 2.07 -0.22 -1.55 121.20 119.98 3i7s s ILE 160 Ca 0.23 0.06 -0.13 0.00 -1.41 0.00 0.00 60.65 59.40 3i7s s ILE 160 Cb 0.03 -0.08 -0.03 0.00 0.13 0.00 0.00 42.46 42.50 3i7s s ILE 160 CO -0.03 0.05 0.26 0.00 -1.91 0.00 0.00 174.94 173.31 3i7s s ARG 161 N 0.44 3.74 -0.30 3.50 1.04 0.13 -0.40 118.95 127.10 3i7s s ARG 161 Ca -0.04 -0.40 -0.05 0.00 -1.04 0.00 0.00 55.73 54.20 3i7s s ARG 161 Cb -0.06 -3.73 0.03 0.00 -2.04 0.00 0.00 34.95 29.15 3i7s s ARG 161 CO -0.01 -0.34 0.05 -2.00 -0.04 0.00 0.00 175.30 172.96 3i7s s GLU 162 N 1.83 2.84 0.00 3.89 -6.30 0.65 -1.38 118.70 120.23 3i7s s GLU 162 Ca 0.09 -1.02 0.13 0.00 -2.50 0.00 0.00 54.97 51.67 3i7s s GLU 162 Cb -0.17 -3.31 0.27 0.00 0.00 0.00 0.00 34.13 30.93 3i7s s GLU 162 CO 0.11 -0.52 1.17 0.00 0.02 0.00 0.00 175.26 176.03 3i7s n ALA 163 N 4.79 2.32 0.27 6.30 0.00 -0.16 -1.01 120.51 133.02 3i7s n ALA 163 Ca -0.14 -0.96 0.10 0.00 0.00 0.00 0.00 53.44 52.45 3i7s n ALA 163 Cb 0.46 -0.51 0.72 0.00 0.00 0.00 0.00 19.45 20.13 3i7s n ALA 163 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3i7s h THR 164 N 2.56 0.81 0.00 0.00 1.35 -1.90 -3.42 112.91 112.30 3i7s h THR 164 Ca 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3i7s h THR 164 Cb 0.70 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3i7s h THR 164 CO 0.00 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 3i7s n GLY 165 N -1.26 0.86 3.48 5.82 0.00 -1.26 -4.97 105.19 107.85 3i7s n GLY 165 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3i7s n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7s s ASN 166 N -2.85 6.22 0.40 1.61 3.84 -1.26 -4.92 114.94 117.98 3i7s s ASN 166 Ca 0.00 -0.94 0.27 0.00 0.21 0.00 0.00 52.86 52.40 3i7s s ASN 166 Cb 0.00 -2.46 0.89 0.00 -0.55 0.00 0.00 41.25 39.13 3i7s s ASN 166 CO 0.00 -1.53 1.79 -0.07 -2.79 0.00 0.00 177.10 174.50 3i7s h LEU 167 N 11.82 0.00 -1.84 3.21 3.38 -1.97 -2.27 115.31 127.64 3i7s h LEU 167 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3i7s h LEU 167 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3i7s h LEU 167 CO 1.22 0.00 0.00 0.71 0.09 0.00 0.00 178.44 180.46 3i7s h THR 168 N 0.00 0.00 0.00 0.22 1.35 -2.02 -2.69 112.91 109.77 3i7s h THR 168 Ca 0.00 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.67 3i7s h THR 168 Cb 0.67 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3i7s h THR 168 CO 0.00 0.00 -0.15 0.03 -0.25 0.00 0.00 175.52 175.15 3i7s h ARG 169 N 0.00 0.00 0.67 4.72 2.47 -1.83 -2.80 114.38 117.61 3i7s h ARG 169 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3i7s h ARG 169 Cb 0.18 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3i7s h ARG 169 CO 0.00 0.15 -0.41 0.28 0.56 0.00 0.00 179.97 180.55 3i7s h VAL 170 N 0.00 0.17 0.00 2.04 2.07 -1.69 -1.38 116.25 117.46 3i7s h VAL 170 Ca -0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 3i7s h VAL 170 Cb 0.54 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3i7s h VAL 170 CO 0.02 0.00 -0.65 0.78 0.02 0.00 0.00 177.57 177.74 3i7s h ASN 171 N -1.02 0.00 -0.83 0.57 2.35 -1.76 -1.05 115.58 113.84 3i7s h ASN 171 Ca -0.09 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.72 3i7s h ASN 171 Cb 0.82 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.13 3i7s h ASN 171 CO 0.09 0.65 0.51 1.56 -1.65 0.00 0.00 177.43 178.58 3i7s h GLN 172 N 0.00 0.92 -0.09 0.81 4.20 -1.46 -1.66 115.11 117.82 3i7s h GLN 172 Ca -0.01 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 3i7s h GLN 172 Cb 1.47 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3i7s h GLN 172 CO 0.08 0.61 -0.32 0.82 -0.67 0.00 0.00 178.83 179.35 3i7s h ILE 173 N 0.94 1.40 -0.74 2.54 2.04 -1.15 -3.30 117.51 119.25 3i7s h ILE 173 Ca 0.36 -1.68 0.07 0.00 1.00 0.00 0.00 64.86 64.61 3i7s h ILE 173 Cb 0.14 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 3i7s h ILE 173 CO -0.16 0.49 0.42 0.50 0.00 0.00 0.00 178.15 179.40 3i7s h LYS 174 N -0.08 0.73 -0.12 2.37 3.64 -0.97 0.35 116.57 122.49 3i7s h LYS 174 Ca -0.01 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3i7s h LYS 174 Cb 0.95 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3i7s h LYS 174 CO 0.07 0.48 0.10 0.93 -2.27 0.00 0.00 179.45 178.76 3i7s h GLU 175 N 0.75 0.00 -0.01 1.90 4.39 -1.41 -3.06 114.58 117.15 3i7s h GLU 175 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3i7s h GLU 175 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3i7s h GLU 175 CO -0.20 0.00 -0.37 1.28 -1.16 0.00 0.00 179.01 178.56 3i7s n LEU 176 N -4.25 1.47 -4.33 1.33 4.77 0.09 -4.96 117.00 111.11 3i7s n LEU 176 Ca -0.00 -0.48 -0.17 0.00 -0.03 0.00 0.00 56.01 55.32 3i7s n LEU 176 Cb 0.21 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 3i7s n LEU 176 CO 0.32 0.27 -0.32 0.68 -1.33 0.00 0.00 177.39 177.02 3i7s s VAL 177 N -2.50 0.98 0.77 4.08 -7.23 -1.08 -4.70 120.40 110.72 3i7s s VAL 177 Ca 0.21 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.25 3i7s s VAL 177 Cb 0.19 -2.39 0.06 0.00 0.56 0.00 0.00 36.38 34.79 3i7s s VAL 177 CO 0.55 -0.28 1.10 -0.94 -0.31 0.00 0.00 175.10 175.22 3i7s s SER 178 N -3.31 4.43 0.61 4.85 1.04 -1.26 -4.90 113.70 115.15 3i7s s SER 178 Ca 0.30 1.89 0.39 0.00 0.48 0.00 0.00 55.95 59.00 3i7s s SER 178 Cb 0.06 -2.53 1.92 0.00 0.10 0.00 0.00 66.02 65.57 3i7s s SER 178 CO 0.09 -2.09 2.19 0.44 0.98 0.00 0.00 173.24 174.86 3i7s h ASP 179 N -1.03 0.00 -0.31 7.02 3.32 -2.01 -2.55 116.42 120.86 3i7s h ASP 179 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3i7s h ASP 179 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3i7s h ASP 179 CO 0.51 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.14 3i7s n ASP 180 N -3.14 2.60 -4.71 6.45 5.68 -1.26 -4.87 116.55 117.30 3i7s n ASP 180 Ca -0.01 -1.88 -0.42 0.00 -0.50 0.00 0.00 54.79 51.98 3i7s n ASP 180 Cb 0.18 -0.20 -0.03 0.00 -1.14 0.00 0.00 41.12 39.93 3i7s n ASP 180 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3i7s s PHE 181 N -1.60 3.35 -0.12 2.11 5.36 -0.96 -4.94 117.98 121.17 3i7s s PHE 181 Ca 0.35 1.23 -0.21 0.00 -0.96 0.00 0.00 56.93 57.34 3i7s s PHE 181 Cb 0.20 -3.46 -0.04 0.00 -0.34 0.00 0.00 43.02 39.38 3i7s s PHE 181 CO 0.28 -1.45 0.59 0.08 -1.46 0.00 0.00 175.22 173.26 3i7s s VAL 182 N 1.31 5.10 -0.20 3.12 1.01 -0.48 -4.96 120.40 125.30 3i7s s VAL 182 Ca 0.59 1.18 -0.04 0.00 0.00 0.00 0.00 61.98 63.72 3i7s s VAL 182 Cb -0.30 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3i7s s VAL 182 CO 0.28 0.25 -0.04 -0.76 0.00 0.00 0.00 175.10 174.84 3i7s s LEU 183 N 0.97 3.02 -0.01 3.92 1.43 -1.26 -1.06 118.68 125.70 3i7s s LEU 183 Ca 0.31 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 3i7s s LEU 183 Cb -0.16 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 3i7s s LEU 183 CO 0.13 0.04 -0.21 -0.76 0.23 0.00 0.00 176.35 175.78 3i7s s LEU 184 N 1.14 2.06 0.30 1.79 1.43 0.47 -0.72 118.68 125.14 3i7s s LEU 184 Ca 0.02 -0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 52.45 3i7s s LEU 184 Cb -0.15 -1.07 -0.10 0.00 0.03 0.00 0.00 46.19 44.91 3i7s s LEU 184 CO -0.00 0.24 0.95 -0.55 0.23 0.00 0.00 176.35 177.22 3i7s s SER 185 N -0.59 7.42 -0.21 2.29 0.15 -0.15 -0.26 113.70 122.35 3i7s s SER 185 Ca 0.08 1.89 0.14 0.00 0.70 0.00 0.00 55.95 58.76 3i7s s SER 185 Cb -0.08 -2.59 0.45 0.00 -1.71 0.00 0.00 66.02 62.09 3i7s s SER 185 CO -0.00 -0.01 1.35 0.61 1.20 0.00 0.00 173.24 176.39 3i7s n GLY 186 N 0.88 4.68 2.61 9.45 0.00 -0.18 -0.44 105.19 122.19 3i7s n GLY 186 Ca 0.01 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 3i7s n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i7s s ASP 187 N -2.54 3.70 0.24 1.61 2.15 -1.26 -4.61 116.67 115.96 3i7s s ASP 187 Ca 0.40 -1.45 -0.07 0.00 0.43 0.00 0.00 52.55 51.85 3i7s s ASP 187 Cb 0.35 -0.54 0.41 0.00 -0.30 0.00 0.00 42.92 42.84 3i7s s ASP 187 CO 0.02 -0.43 1.65 0.44 -0.17 0.00 0.00 175.17 176.69 3i7s h ASP 188 N 8.24 -0.24 0.61 -0.34 3.32 -1.90 -1.21 116.42 124.90 3i7s h ASP 188 Ca -0.17 0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3i7s h ASP 188 Cb 1.01 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 3i7s h ASP 188 CO 0.45 -0.13 -0.19 0.00 -1.72 0.00 0.00 179.24 177.64 3i7s h ALA 189 N 1.65 1.16 -0.20 3.45 0.00 -1.96 -2.87 119.26 120.50 3i7s h ALA 189 Ca 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i7s h ALA 189 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3i7s h ALA 189 CO -0.59 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 177.77 3i7s n SER 190 N -3.56 2.44 -0.20 0.00 3.41 -0.70 -4.72 113.62 110.30 3i7s n SER 190 Ca -0.01 -1.82 -0.07 0.00 -0.26 0.00 0.00 58.87 56.71 3i7s n SER 190 Cb 0.34 -0.13 0.07 0.00 -0.26 0.00 0.00 64.21 64.23 3i7s n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7s h ALA 191 N 1.64 0.95 -0.36 7.33 0.00 -1.02 -1.07 119.26 126.74 3i7s h ALA 191 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3i7s h ALA 191 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3i7s h ALA 191 CO 0.00 0.64 0.02 1.25 0.00 0.00 0.00 179.25 181.17 3i7s h LEU 192 N 0.95 0.60 -1.02 0.00 5.85 -1.84 -0.98 115.31 118.86 3i7s h LEU 192 Ca 0.18 -0.29 0.14 0.00 0.84 0.00 0.00 57.88 58.75 3i7s h LEU 192 Cb 0.47 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 3i7s h LEU 192 CO 0.02 0.74 0.63 0.44 -0.34 0.00 0.00 178.44 179.93 3i7s h ASP 193 N 0.43 0.89 -0.18 1.25 3.32 -1.84 0.80 116.42 121.10 3i7s h ASP 193 Ca 0.10 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3i7s h ASP 193 Cb 0.42 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3i7s h ASP 193 CO 0.01 0.44 0.04 0.15 -1.72 0.00 0.00 179.24 178.17 3i7s h PHE 194 N 0.94 0.30 -0.52 4.55 3.57 -0.72 -1.69 116.94 123.37 3i7s h PHE 194 Ca 0.52 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.87 3i7s h PHE 194 Cb 0.59 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 3i7s h PHE 194 CO -0.00 0.42 -0.12 0.52 -2.23 0.00 0.00 178.31 176.90 3i7s h MET 195 N 0.09 0.98 -0.13 1.11 2.86 -0.90 -0.12 114.93 118.83 3i7s h MET 195 Ca 0.06 -0.36 0.01 0.00 -2.06 0.00 0.00 59.70 57.35 3i7s h MET 195 Cb 0.28 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3i7s h MET 195 CO 0.00 1.03 0.09 0.37 1.06 0.00 0.00 176.91 179.47 3i7s h GLN 196 N 0.87 0.12 -0.00 1.72 4.15 -0.61 -2.05 115.11 119.31 3i7s h GLN 196 Ca 0.13 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3i7s h GLN 196 Cb 0.67 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.34 3i7s h GLN 196 CO 0.05 0.08 -0.14 1.28 -1.93 0.00 0.00 178.83 178.17 3i7s n LEU 197 N -4.51 0.26 0.00 -2.39 4.77 -0.66 -4.87 117.00 109.60 3i7s n LEU 197 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3i7s n LEU 197 Cb 0.12 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3i7s n LEU 197 CO 0.34 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3i7s n GLY 198 N 1.41 0.19 3.69 -0.72 0.00 -0.78 -4.76 105.19 104.22 3i7s n GLY 198 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3i7s n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i7s s GLY 199 N -0.27 1.73 -0.00 -0.02 0.00 -0.08 -4.88 107.32 103.80 3i7s s GLY 199 Ca 0.00 0.56 0.09 0.00 0.00 0.00 0.00 44.72 45.38 3i7s s GLY 199 CO 0.00 0.97 0.40 1.42 0.00 0.00 0.00 173.10 175.89 3i7s n HIS 200 N -4.04 0.00 -3.24 1.90 8.25 0.10 -4.51 115.22 113.67 3i7s n HIS 200 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3i7s n HIS 200 Cb 0.52 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3i7s n HIS 200 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i7s n GLY 201 N 1.24 -1.23 2.98 -1.41 0.00 -1.22 -1.24 105.19 104.31 3i7s n GLY 201 Ca 0.02 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 3i7s n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7s s VAL 202 N -3.00 0.02 -0.40 1.61 0.11 -0.30 -0.98 120.40 117.45 3i7s s VAL 202 Ca 0.00 -0.18 -0.16 0.00 -2.93 0.00 0.00 61.98 58.72 3i7s s VAL 202 Cb 0.00 -0.18 0.02 0.00 -1.53 0.00 0.00 36.38 34.69 3i7s s VAL 202 CO 0.00 -0.10 0.34 -0.63 -3.33 0.00 0.00 175.10 171.39 3i7s s ILE 203 N -0.28 5.20 -0.05 7.04 1.01 0.42 -1.10 121.20 133.45 3i7s s ILE 203 Ca -0.03 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.17 3i7s s ILE 203 Cb -0.02 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 3i7s s ILE 203 CO 0.00 -0.31 -0.16 -0.55 0.00 0.00 0.00 174.94 173.92 3i7s s SER 204 N 1.73 3.87 -0.07 3.58 0.15 0.13 -4.53 113.70 118.56 3i7s s SER 204 Ca 0.08 -0.24 -0.16 0.00 0.70 0.00 0.00 55.95 56.32 3i7s s SER 204 Cb -0.18 -0.78 -0.30 0.00 -1.71 0.00 0.00 66.02 63.05 3i7s s SER 204 CO 0.11 0.34 0.70 0.58 1.20 0.00 0.00 173.24 176.17 3i7s h VAL 205 N 4.39 1.14 -0.93 4.45 2.07 -1.87 0.42 116.25 125.91 3i7s h VAL 205 Ca -0.45 -2.48 0.15 0.00 0.82 0.00 0.00 66.70 64.74 3i7s h VAL 205 Cb 1.15 2.86 -0.08 0.00 -1.52 0.00 0.00 31.29 33.70 3i7s h VAL 205 CO 0.50 0.75 0.60 0.74 0.02 0.00 0.00 177.57 180.17 3i7s h THR 206 N -0.18 0.81 -0.04 2.57 2.02 -1.94 -1.29 112.91 114.86 3i7s h THR 206 Ca -0.27 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.67 3i7s h THR 206 Cb 1.85 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3i7s h THR 206 CO 0.13 0.13 0.20 0.00 0.37 0.00 0.00 175.52 176.35 3i7s h ALA 207 N 1.60 1.31 -0.27 6.16 0.00 -1.82 -0.77 119.26 125.46 3i7s h ALA 207 Ca 0.48 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.46 3i7s h ALA 207 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3i7s h ALA 207 CO -0.24 -0.22 0.19 -0.91 0.00 0.00 0.00 179.25 178.07 3i7s h ASN 208 N 0.00 0.05 0.00 0.00 2.35 -1.45 -3.03 115.58 113.51 3i7s h ASN 208 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3i7s h ASN 208 Cb 0.43 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3i7s h ASN 208 CO -0.00 0.04 0.00 1.33 -1.65 0.00 0.00 177.43 177.15 3i7s n VAL 209 N -4.47 0.00 -2.61 2.81 0.24 -0.57 -4.78 118.33 108.95 3i7s n VAL 209 Ca 0.03 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 3i7s n VAL 209 Cb 0.31 1.02 0.02 0.00 -1.47 0.00 0.00 33.84 33.72 3i7s n VAL 209 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7s n ALA 210 N -0.67 3.88 -0.25 2.33 0.00 -0.40 -4.95 120.51 120.44 3i7s n ALA 210 Ca 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 53.44 49.95 3i7s n ALA 210 Cb 0.01 -0.83 0.10 0.00 0.00 0.00 0.00 19.45 18.72 3i7s n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i7s h ALA 211 N 2.88 0.94 -0.24 0.00 0.00 -1.75 -2.31 119.26 118.79 3i7s h ALA 211 Ca 0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3i7s h ALA 211 Cb 1.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3i7s h ALA 211 CO 0.60 0.15 -0.20 -0.09 0.00 0.00 0.00 179.25 179.70 3i7s h ARG 212 N 0.80 0.56 -0.83 0.00 2.43 -1.90 -1.41 114.38 114.03 3i7s h ARG 212 Ca 0.30 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3i7s h ARG 212 Cb 0.11 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3i7s h ARG 212 CO -0.15 0.87 0.37 -0.44 -1.51 0.00 0.00 179.97 179.11 3i7s h ASP 213 N 0.27 1.11 -0.39 -3.80 3.32 -1.88 -1.51 116.42 113.53 3i7s h ASP 213 Ca 0.04 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3i7s h ASP 213 Cb 0.75 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3i7s h ASP 213 CO 0.05 0.96 0.02 0.24 -1.72 0.00 0.00 179.24 178.79 3i7s h MET 214 N 1.20 0.68 -0.23 3.56 2.86 -1.22 0.09 114.93 121.87 3i7s h MET 214 Ca 0.28 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3i7s h MET 214 Cb 0.16 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3i7s h MET 214 CO -0.03 0.76 0.10 0.00 1.06 0.00 0.00 176.91 178.80 3i7s h ALA 215 N 0.90 0.29 -0.65 6.32 0.00 -1.16 0.52 119.26 125.47 3i7s h ALA 215 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i7s h ALA 215 Cb 0.44 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3i7s h ALA 215 CO 0.02 -0.14 0.37 0.37 0.00 0.00 0.00 179.25 179.87 3i7s h GLN 216 N 0.23 0.90 -0.54 0.00 5.75 -1.18 -0.97 115.11 119.31 3i7s h GLN 216 Ca 0.08 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 3i7s h GLN 216 Cb 0.13 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3i7s h GLN 216 CO -0.01 0.66 0.18 1.98 -2.65 0.00 0.00 178.83 178.99 3i7s h MET 217 N 0.89 0.83 -0.24 1.69 4.05 -0.77 0.31 114.93 121.68 3i7s h MET 217 Ca 0.23 -0.17 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 3i7s h MET 217 Cb 0.01 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 3i7s h MET 217 CO -0.04 0.75 -0.19 0.00 0.23 0.00 0.00 176.91 177.66 3i7s h LYS 219 N 0.39 0.68 -0.39 0.00 3.64 -0.53 -1.13 116.57 119.24 3i7s h LYS 219 Ca 0.07 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3i7s h LYS 219 Cb 0.56 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3i7s h LYS 219 CO 0.04 1.09 0.24 -0.07 -2.27 0.00 0.00 179.45 178.48 3i7s h LEU 220 N 0.38 0.46 -0.23 5.20 3.38 -0.84 -2.01 115.31 121.65 3i7s h LEU 220 Ca -0.01 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3i7s h LEU 220 Cb 1.11 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3i7s h LEU 220 CO 0.11 0.35 -0.03 0.00 0.09 0.00 0.00 178.44 178.96 3i7s h ALA 221 N 1.12 0.18 -0.31 1.53 0.00 -0.93 -0.28 119.26 120.57 3i7s h ALA 221 Ca 0.14 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3i7s h ALA 221 Cb -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i7s h ALA 221 CO -0.03 -0.45 0.22 0.00 0.00 0.00 0.00 179.25 178.99 3i7s h ALA 222 N 1.21 2.08 -0.00 0.00 0.00 -1.03 0.60 119.26 122.12 3i7s h ALA 222 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i7s h ALA 222 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i7s h ALA 222 CO -0.21 -0.15 -0.11 0.39 0.00 0.00 0.00 179.25 179.17 3i7s n GLU 223 N -4.48 0.67 -0.68 0.00 1.02 -0.76 -4.93 120.64 111.48 3i7s n GLU 223 Ca 0.04 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 3i7s n GLU 223 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3i7s n GLU 223 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i7s n GLY 224 N 1.28 0.64 2.84 0.62 0.00 0.20 -4.97 105.19 105.81 3i7s n GLY 224 Ca 0.14 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3i7s n GLY 224 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i7s n HIS 225 N -2.68 2.60 0.04 1.61 8.25 -0.21 -4.81 115.22 120.03 3i7s n HIS 225 Ca 0.00 -2.69 -0.08 0.00 -0.26 0.00 0.00 57.72 54.69 3i7s n HIS 225 Cb 0.00 -1.60 0.07 0.00 1.12 0.00 0.00 29.99 29.58 3i7s n HIS 225 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3i7s h PHE 226 N 5.32 0.54 0.08 4.41 -1.00 -1.89 -1.75 116.94 122.65 3i7s h PHE 226 Ca 0.38 -0.20 -0.00 0.00 2.81 0.00 0.00 57.97 60.95 3i7s h PHE 226 Cb 0.55 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.01 3i7s h PHE 226 CO 1.22 0.91 -0.04 0.00 -1.61 0.00 0.00 178.31 178.80 3i7s h ALA 227 N 1.04 -0.10 -0.97 2.45 0.00 -1.97 0.24 119.26 119.95 3i7s h ALA 227 Ca -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3i7s h ALA 227 Cb 1.13 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 3i7s h ALA 227 CO 0.10 -0.45 0.63 0.93 0.00 0.00 0.00 179.25 180.46 3i7s h GLU 228 N -0.32 1.06 -0.30 0.00 3.07 -1.96 -1.76 114.58 114.37 3i7s h GLU 228 Ca -0.01 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.67 3i7s h GLU 228 Cb 0.28 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 3i7s h GLU 228 CO 0.02 0.70 -0.29 0.00 -1.40 0.00 0.00 179.01 178.04 3i7s h ALA 229 N 1.49 0.93 -0.18 3.43 0.00 -0.91 -2.98 119.26 121.04 3i7s h ALA 229 Ca 0.43 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3i7s h ALA 229 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i7s h ALA 229 CO -0.18 0.62 -0.15 -0.09 0.00 0.00 0.00 179.25 179.45 3i7s h ARG 230 N 0.54 0.29 -0.15 0.00 2.43 0.34 -1.17 114.38 116.66 3i7s h ARG 230 Ca 0.07 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3i7s h ARG 230 Cb 0.77 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3i7s h ARG 230 CO 0.06 0.44 0.08 0.28 -1.51 0.00 0.00 179.97 179.32 3i7s h VAL 231 N 0.27 1.00 -0.59 0.20 2.07 -1.27 0.31 116.25 118.25 3i7s h VAL 231 Ca 0.05 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3i7s h VAL 231 Cb 0.43 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3i7s h VAL 231 CO 0.03 0.03 0.25 0.40 0.02 0.00 0.00 177.57 178.29 3i7s h ILE 232 N 0.16 1.22 -0.96 4.57 2.04 -1.52 -2.93 117.51 120.09 3i7s h ILE 232 Ca 0.06 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.27 3i7s h ILE 232 Cb 0.01 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3i7s h ILE 232 CO -0.04 0.26 0.63 -1.13 0.00 0.00 0.00 178.15 177.88 3i7s h ASN 233 N 0.80 1.07 -0.86 1.72 -0.00 -0.59 -1.69 115.58 116.04 3i7s h ASN 233 Ca 0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.48 3i7s h ASN 233 Cb 0.18 -0.26 -0.04 0.00 -0.00 0.00 0.00 38.32 38.20 3i7s h ASN 233 CO -0.02 0.76 0.55 1.56 -0.00 0.00 0.00 177.43 180.28 3i7s h GLN 234 N 1.26 1.14 0.00 6.67 1.08 -0.78 0.80 115.11 125.27 3i7s h GLN 234 Ca 0.37 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.44 3i7s h GLN 234 Cb -0.07 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.10 3i7s h GLN 234 CO -0.10 0.77 -0.22 0.07 -0.95 0.00 0.00 178.83 178.40 3i7s h ARG 235 N 1.16 0.00 0.00 1.46 0.11 -1.29 -2.81 114.38 113.01 3i7s h ARG 235 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3i7s h ARG 235 Cb -0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.97 3i7s h ARG 235 CO -0.06 0.22 -0.32 1.28 0.10 0.00 0.00 179.97 181.18 3i7s n LEU 236 N -3.28 0.63 -0.31 0.08 4.77 -0.69 -3.66 117.00 114.54 3i7s n LEU 236 Ca 0.01 0.36 -0.04 0.00 -0.03 0.00 0.00 56.01 56.30 3i7s n LEU 236 Cb 0.49 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 3i7s n LEU 236 CO 0.34 -0.07 1.15 -0.03 -1.33 0.00 0.00 177.39 177.45 3i7s h MET 237 N 0.00 1.18 -0.79 3.23 4.05 -0.59 0.06 114.93 122.08 3i7s h MET 237 Ca 0.00 -0.14 0.04 0.00 -0.28 0.00 0.00 59.70 59.32 3i7s h MET 237 Cb 0.69 -0.23 -0.05 0.00 -0.80 0.00 0.00 31.60 31.20 3i7s h MET 237 CO 0.00 0.87 0.49 -1.35 0.23 0.00 0.00 176.91 177.16 3i7s h PRO 238 N 1.18 0.91 -0.53 0.39 0.11 -1.78 -1.09 132.00 131.19 3i7s h PRO 238 Ca 0.30 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.38 3i7s h PRO 238 Cb 0.04 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 30.91 3i7s h PRO 238 CO -0.05 0.60 0.32 -0.07 -0.21 0.00 0.00 178.00 178.60 3i7s h LEU 239 N 0.94 0.52 -1.05 2.35 3.38 -1.47 0.36 115.31 120.33 3i7s h LEU 239 Ca 0.33 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.45 3i7s h LEU 239 Cb 0.07 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 3i7s h LEU 239 CO -0.13 0.36 0.62 0.45 0.09 0.00 0.00 178.44 179.83 3i7s h HIS 240 N 0.63 1.07 0.00 1.13 3.86 -0.08 -1.20 115.15 120.56 3i7s h HIS 240 Ca 0.21 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 3i7s h HIS 240 Cb 0.02 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 3i7s h HIS 240 CO -0.06 0.35 -0.36 -0.91 0.86 0.00 0.00 177.93 177.81 3i7s h ASN 241 N 0.86 0.00 1.20 2.45 2.35 -0.92 -3.40 115.58 118.12 3i7s h ASN 241 Ca 0.52 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3i7s h ASN 241 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3i7s h ASN 241 CO -0.30 1.12 0.00 0.29 -1.65 0.00 0.00 177.43 176.89 3i7s n LYS 242 N -4.56 0.18 0.00 0.81 4.76 0.12 -1.89 118.16 117.58 3i7s n LYS 242 Ca -0.16 0.21 0.04 0.00 -2.87 0.00 0.00 58.31 55.53 3i7s n LYS 242 Cb 0.52 -1.74 0.22 0.00 -1.84 0.00 0.00 35.03 32.19 3i7s n LYS 242 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i7s n LEU 243 N -2.07 0.00 -0.09 -0.35 4.77 -0.46 -1.92 117.00 116.88 3i7s n LEU 243 Ca 0.05 0.25 0.06 0.00 -0.03 0.00 0.00 56.01 56.35 3i7s n LEU 243 Cb 0.36 -0.25 0.09 0.00 -2.33 0.00 0.00 43.42 41.29 3i7s n LEU 243 CO 0.27 -0.18 0.51 0.49 -1.33 0.00 0.00 177.39 177.15 3i7s n PHE 244 N -1.25 0.00 0.14 -1.77 3.01 -0.79 -4.43 117.46 112.37 3i7s n PHE 244 Ca 0.04 -0.75 0.04 0.00 1.01 0.00 0.00 57.45 57.79 3i7s n PHE 244 Cb 0.06 -0.11 0.44 0.00 -0.01 0.00 0.00 39.48 39.86 3i7s n PHE 244 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3i7s h VAL 245 N 0.79 1.14 -3.55 -4.37 3.04 -1.47 -3.42 116.25 108.41 3i7s h VAL 245 Ca 0.00 -0.60 -0.29 0.00 -1.01 0.00 0.00 66.70 64.79 3i7s h VAL 245 Cb 0.93 1.13 -0.15 0.00 -2.01 0.00 0.00 31.29 31.19 3i7s h VAL 245 CO 0.00 0.19 -0.70 -1.61 -1.01 0.00 0.00 177.57 174.44 3i7s s GLU 246 N -4.83 1.01 -0.23 4.17 2.02 -1.26 -5.08 118.70 114.49 3i7s s GLU 246 Ca -0.05 -1.43 -0.40 0.00 0.02 0.00 0.00 54.97 53.10 3i7s s GLU 246 Cb 0.16 -0.46 -0.16 0.00 0.10 0.00 0.00 34.13 33.76 3i7s s GLU 246 CO 0.72 0.02 1.65 -2.30 0.02 0.00 0.00 175.26 175.37 3i7s n PRO 247 N -0.16 1.01 -1.72 0.39 -0.02 -1.26 -4.43 135.00 128.81 3i7s n PRO 247 Ca -0.10 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 3i7s n PRO 247 Cb 0.61 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 3i7s n PRO 247 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3i7s n ASN 248 N 4.67 3.47 -1.96 2.55 2.85 -1.26 -0.49 115.26 125.09 3i7s n ASN 248 Ca 0.25 1.14 -0.09 0.00 -0.11 0.00 0.00 54.58 55.77 3i7s n ASN 248 Cb 0.12 -1.53 0.25 0.00 1.24 0.00 0.00 39.78 39.86 3i7s n ASN 248 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i7s n PRO 249 N 2.28 3.21 0.45 1.20 -0.04 -1.26 -4.91 135.00 135.93 3i7s n PRO 249 Ca 0.10 -2.79 -0.20 0.00 -0.04 0.00 0.00 63.50 60.58 3i7s n PRO 249 Cb 0.35 -2.13 -0.10 0.00 -0.04 0.00 0.00 33.50 31.58 3i7s n PRO 249 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3i7s h ILE 250 N 2.12 0.12 -0.66 0.52 2.04 -1.06 -1.87 117.51 118.72 3i7s h ILE 250 Ca 0.32 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.17 3i7s h ILE 250 Cb 2.33 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 3i7s h ILE 250 CO 0.76 0.00 0.38 -0.65 0.00 0.00 0.00 178.15 178.64 3i7s h PRO 251 N -1.16 0.91 -0.01 2.37 0.11 -1.77 -2.57 132.00 129.86 3i7s h PRO 251 Ca -0.11 -0.09 -0.20 0.00 0.11 0.00 0.00 66.00 65.71 3i7s h PRO 251 Cb 0.91 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3i7s h PRO 251 CO 0.16 0.65 -0.85 -0.24 -0.21 0.00 0.00 178.00 177.52 3i7s h VAL 252 N 0.92 1.46 -0.47 3.15 3.04 -1.78 -0.85 116.25 121.72 3i7s h VAL 252 Ca 0.24 -2.49 -0.06 0.00 -1.01 0.00 0.00 66.70 63.38 3i7s h VAL 252 Cb -0.00 2.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.64 3i7s h VAL 252 CO -0.04 0.73 0.05 0.11 -1.01 0.00 0.00 177.57 177.40 3i7s h LYS 253 N 0.15 0.79 -0.67 4.17 1.57 -1.25 0.64 116.57 121.97 3i7s h LYS 253 Ca -0.05 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3i7s h LYS 253 Cb 1.46 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 3i7s h LYS 253 CO 0.13 0.82 0.42 2.35 -0.57 0.00 0.00 179.45 182.60 3i7s h TRP 254 N 0.65 0.86 -0.55 -1.35 7.01 -1.31 -1.16 115.95 120.10 3i7s h TRP 254 Ca 0.14 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 3i7s h TRP 254 Cb 0.43 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 3i7s h TRP 254 CO 0.03 0.57 0.23 0.00 -2.79 0.00 0.00 178.44 176.48 3i7s h ALA 255 N 1.22 0.71 -0.99 2.65 0.00 -0.94 0.69 119.26 122.61 3i7s h ALA 255 Ca 0.24 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3i7s h ALA 255 Cb -0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 3i7s h ALA 255 CO -0.05 0.31 0.65 0.00 0.00 0.00 0.00 179.25 180.16 3i7s h LYS 257 N 1.26 0.73 -0.86 0.00 3.64 -0.70 0.49 116.57 121.12 3i7s h LYS 257 Ca 0.39 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3i7s h LYS 257 Cb -0.01 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3i7s h LYS 257 CO -0.12 0.81 0.56 1.49 -2.27 0.00 0.00 179.45 179.92 3i7s h GLU 258 N 0.57 1.15 0.00 1.90 4.57 -0.49 -1.81 114.58 120.47 3i7s h GLU 258 Ca 0.12 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3i7s h GLU 258 Cb 0.47 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3i7s h GLU 258 CO 0.02 0.77 0.00 -0.07 -1.18 0.00 0.00 179.01 178.55 3i7s h LEU 259 N 1.18 0.00 0.00 1.64 3.38 -1.14 -3.47 115.31 116.90 3i7s h LEU 259 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3i7s h LEU 259 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3i7s h LEU 259 CO -0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.07 3i7s n GLY 260 N 0.50 0.71 0.15 0.83 0.00 -0.68 -4.97 105.19 101.74 3i7s n GLY 260 Ca 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3i7s n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i7s h LEU 261 N 0.00 0.00 -8.51 0.99 3.38 -1.16 -3.45 115.31 106.56 3i7s h LEU 261 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3i7s h LEU 261 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 3i7s h LEU 261 CO 0.00 0.54 -0.72 0.68 0.09 0.00 0.00 178.44 179.03 3i7s s VAL 262 N -3.44 0.97 0.09 1.22 -7.23 -1.17 -4.41 120.40 106.43 3i7s s VAL 262 Ca 0.00 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.33 3i7s s VAL 262 Cb 0.11 -1.56 -0.27 0.00 0.56 0.00 0.00 36.38 35.22 3i7s s VAL 262 CO 0.73 -0.67 1.17 0.00 -0.31 0.00 0.00 175.10 176.03 3i7s h ALA 263 N 3.23 0.15 -2.49 1.32 0.00 -1.89 -3.39 119.26 116.18 3i7s h ALA 263 Ca -0.37 -0.88 -0.13 0.00 0.00 0.00 0.00 54.91 53.53 3i7s h ALA 263 Cb 1.19 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.79 3i7s h ALA 263 CO 0.58 1.00 -0.66 0.95 0.00 0.00 0.00 179.25 181.12 3i7s s THR 264 N -2.70 0.18 -0.28 0.00 -4.23 -1.26 -5.02 115.64 102.32 3i7s s THR 264 Ca -0.03 -1.46 0.12 0.00 -1.18 0.00 0.00 61.69 59.13 3i7s s THR 264 Cb 0.08 -1.10 0.73 0.00 1.34 0.00 0.00 72.50 73.55 3i7s s THR 264 CO 0.87 -0.81 1.73 -0.90 -0.54 0.00 0.00 174.62 174.97 3i7s n ASP 265 N 0.59 4.86 -4.70 3.99 5.75 -1.26 -4.52 116.55 121.26 3i7s n ASP 265 Ca -0.17 -3.15 -0.43 0.00 -0.01 0.00 0.00 54.79 51.03 3i7s n ASP 265 Cb 0.59 -0.70 -0.02 0.00 -1.03 0.00 0.00 41.12 39.97 3i7s n ASP 265 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3i7s n THR 266 N -0.04 1.26 -4.61 2.12 -1.04 -1.26 -4.71 114.28 106.00 3i7s n THR 266 Ca 0.34 -0.31 -0.28 0.00 -2.04 0.00 0.00 64.05 61.76 3i7s n THR 266 Cb 1.25 -1.63 -0.09 0.00 -1.82 0.00 0.00 70.33 68.04 3i7s n THR 266 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i7s s LEU 267 N -0.38 2.29 -0.04 -4.42 1.02 -1.26 -4.40 118.68 111.48 3i7s s LEU 267 Ca 0.64 -1.56 -0.01 0.00 0.02 0.00 0.00 54.13 53.21 3i7s s LEU 267 Cb -0.59 -0.52 -0.04 0.00 0.02 0.00 0.00 46.19 45.07 3i7s s LEU 267 CO 0.53 -0.76 0.05 -0.13 0.02 0.00 0.00 176.35 176.06 3i7s s ARG 268 N -3.80 3.04 0.32 1.70 0.52 -1.26 -4.82 118.95 114.64 3i7s s ARG 268 Ca 0.21 -0.44 -0.28 0.00 -0.52 0.00 0.00 55.73 54.70 3i7s s ARG 268 Cb 0.05 -2.85 -0.13 0.00 0.52 0.00 0.00 34.95 32.54 3i7s s ARG 268 CO 0.11 0.68 1.26 1.28 0.02 0.00 0.00 175.30 178.65 3i7s n LEU 269 N 1.62 3.22 -0.93 2.53 4.77 -1.26 -0.97 117.00 125.97 3i7s n LEU 269 Ca -0.16 1.19 0.04 0.00 -0.03 0.00 0.00 56.01 57.06 3i7s n LEU 269 Cb 0.53 -1.45 0.17 0.00 -2.33 0.00 0.00 43.42 40.35 3i7s n LEU 269 CO 0.33 -0.62 0.58 -0.81 -1.33 0.00 0.00 177.39 175.53 3i7s n PRO 270 N 0.79 2.39 -2.58 3.23 -0.04 -1.26 -4.95 135.00 132.57 3i7s n PRO 270 Ca 0.06 -1.36 -0.40 0.00 -0.04 0.00 0.00 63.50 61.76 3i7s n PRO 270 Cb 0.35 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 3i7s n PRO 270 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i7s s MET 271 N -1.70 4.72 0.24 0.54 -1.94 -0.15 -5.06 119.30 115.95 3i7s s MET 271 Ca 0.24 1.68 0.10 0.00 -1.71 0.00 0.00 55.69 56.00 3i7s s MET 271 Cb 0.16 -3.23 -0.05 0.00 2.01 0.00 0.00 34.83 33.73 3i7s s MET 271 CO 0.11 0.32 -0.18 0.95 -0.01 0.00 0.00 175.02 176.21 3i7s s THR 272 N -1.13 2.13 0.49 2.05 -4.23 -1.26 -4.50 115.64 109.19 3i7s s THR 272 Ca 0.43 -2.30 -0.23 0.00 -1.18 0.00 0.00 61.69 58.41 3i7s s THR 272 Cb -0.30 -2.17 -0.07 0.00 1.34 0.00 0.00 72.50 71.30 3i7s s THR 272 CO 0.37 -0.48 1.29 -2.65 -0.54 0.00 0.00 174.62 172.62 3i7s n PRO 273 N -0.47 1.78 -1.67 3.99 -0.02 -1.26 -4.92 135.00 132.44 3i7s n PRO 273 Ca -0.07 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 3i7s n PRO 273 Cb 0.60 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 3i7s n PRO 273 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3i7s n ILE 274 N -0.66 1.80 -1.45 4.25 3.06 -1.26 -5.00 119.36 120.10 3i7s n ILE 274 Ca 0.08 -0.45 -0.30 0.00 -2.50 0.00 0.00 62.75 59.58 3i7s n ILE 274 Cb 0.42 -1.40 0.09 0.00 0.54 0.00 0.00 39.64 39.29 3i7s n ILE 274 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3i7s s THR 275 N -0.90 3.29 0.30 9.51 -4.23 -1.26 -4.88 115.64 117.48 3i7s s THR 275 Ca 0.59 0.42 0.02 0.00 -1.18 0.00 0.00 61.69 61.53 3i7s s THR 275 Cb -0.62 -3.08 0.14 0.00 1.34 0.00 0.00 72.50 70.29 3i7s s THR 275 CO 0.59 -0.55 1.83 0.44 -0.54 0.00 0.00 174.62 176.40 3i7s h ASP 276 N -1.08 0.60 -0.44 3.99 3.32 -1.99 -0.74 116.42 120.07 3i7s h ASP 276 Ca -0.46 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.40 3i7s h ASP 276 Cb 1.25 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3i7s h ASP 276 CO 0.57 0.67 0.04 -1.28 -1.72 0.00 0.00 179.24 177.52 3i7s h SER 277 N 0.61 0.73 -0.48 6.45 0.87 -2.00 -2.49 113.55 117.24 3i7s h SER 277 Ca 0.13 -0.28 0.05 0.00 -1.23 0.00 0.00 61.79 60.45 3i7s h SER 277 Cb 0.37 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3i7s h SER 277 CO 0.01 0.83 0.23 1.23 -0.53 0.00 0.00 176.83 178.59 3i7s h GLY 278 N 0.60 0.66 0.83 5.77 0.00 -1.75 -2.15 103.07 107.02 3i7s h GLY 278 Ca 0.13 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.35 3i7s h GLY 278 CO 0.01 0.09 0.55 3.21 0.00 0.00 0.00 176.54 180.40 3i7s h ARG 279 N 0.45 1.01 -0.51 4.80 3.08 -1.09 -0.72 114.38 121.40 3i7s h ARG 279 Ca 0.21 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 3i7s h ARG 279 Cb 0.14 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3i7s h ARG 279 CO -0.16 0.67 0.05 1.49 -1.07 0.00 0.00 179.97 180.94 3i7s h GLU 280 N 1.04 0.87 -0.23 0.04 4.81 -0.98 -0.61 114.58 119.53 3i7s h GLU 280 Ca 0.35 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 3i7s h GLU 280 Cb 0.06 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3i7s h GLU 280 CO -0.13 0.88 -0.26 1.15 -0.73 0.00 0.00 179.01 179.92 3i7s h THR 281 N 0.75 1.32 -0.08 0.32 2.02 -1.10 -2.02 112.91 114.11 3i7s h THR 281 Ca 0.15 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 3i7s h THR 281 Cb 0.46 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3i7s h THR 281 CO 0.02 0.45 0.02 0.58 0.37 0.00 0.00 175.52 176.95 3i7s h VAL 282 N 0.28 1.20 -0.55 3.16 2.07 -1.10 -1.88 116.25 119.42 3i7s h VAL 282 Ca 0.03 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.03 3i7s h VAL 282 Cb 0.83 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.97 3i7s h VAL 282 CO 0.06 0.18 0.01 -0.09 0.02 0.00 0.00 177.57 177.76 3i7s h ARG 283 N -0.09 0.13 -0.82 1.57 9.65 -1.13 0.13 114.38 123.82 3i7s h ARG 283 Ca 0.03 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3i7s h ARG 283 Cb 0.26 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.78 3i7s h ARG 283 CO 0.00 0.09 0.48 0.00 2.80 0.00 0.00 179.97 183.34 3i7s h ALA 284 N 1.49 1.29 -0.19 2.80 0.00 -1.26 -0.83 119.26 122.56 3i7s h ALA 284 Ca 0.28 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 3i7s h ALA 284 Cb 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3i7s h ALA 284 CO -0.45 0.60 -0.54 0.00 0.00 0.00 0.00 179.25 178.85 3i7s h ALA 285 N 1.39 0.71 -0.86 0.00 0.00 -0.34 -1.57 119.26 118.59 3i7s h ALA 285 Ca 0.29 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3i7s h ALA 285 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3i7s h ALA 285 CO -0.05 0.69 0.43 -0.07 0.00 0.00 0.00 179.25 180.25 3i7s h LEU 286 N 0.43 1.10 -0.35 0.00 3.38 -0.41 -2.14 115.31 117.32 3i7s h LEU 286 Ca 0.01 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 3i7s h LEU 286 Cb 1.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3i7s h LEU 286 CO 0.10 0.91 -0.26 0.11 0.09 0.00 0.00 178.44 179.39 3i7s h LYS 287 N 1.21 0.79 -0.53 1.13 1.57 -0.99 -1.08 116.57 118.67 3i7s h LYS 287 Ca 0.30 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3i7s h LYS 287 Cb 0.09 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3i7s h LYS 287 CO -0.04 1.01 0.35 1.25 -0.57 0.00 0.00 179.45 181.46 3i7s h HIS 288 N 0.57 0.64 0.00 -1.35 2.76 -1.23 -1.05 115.15 115.50 3i7s h HIS 288 Ca 0.07 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3i7s h HIS 288 Cb 0.83 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.57 3i7s h HIS 288 CO 0.06 0.39 0.00 0.00 -1.30 0.00 0.00 177.93 177.09 3i7s n ALA 289 N -2.46 2.52 -1.19 5.26 0.00 -0.81 -4.87 120.51 118.97 3i7s n ALA 289 Ca 0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 3i7s n ALA 289 Cb 0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 3i7s n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i7s n GLY 290 N 1.05 0.80 0.06 0.00 0.00 -0.40 -4.93 105.19 101.78 3i7s n GLY 290 Ca 0.18 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.51 3i7s n GLY 290 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i7s n LEU 291 N -0.64 0.66 -0.13 0.99 4.77 -0.45 -5.02 117.00 117.18 3i7s n LEU 291 Ca -0.06 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 3i7s n LEU 291 Cb 0.19 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3i7s n LEU 291 CO 0.09 -0.04 0.30 0.18 -1.33 0.00 0.00 177.39 176.59