#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvm s LEU 5 N 0.00 4.34 0.24 -0.35 1.43 -0.47 -4.84 118.68 119.02 1nvm s LEU 5 Ca 0.00 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 1nvm s LEU 5 Cb 0.00 -2.92 -0.07 0.00 0.03 0.00 0.00 46.19 43.22 1nvm s LEU 5 CO 0.00 0.18 0.56 -0.54 0.23 0.00 0.00 176.35 176.78 1nvm s LYS 6 N -2.27 3.81 0.14 1.70 1.02 -1.25 -0.86 119.74 122.03 1nvm s LYS 6 Ca 0.33 0.30 0.06 0.00 0.02 0.00 0.00 55.97 56.68 1nvm s LYS 6 Cb -0.13 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1nvm s LYS 6 CO 0.23 0.31 -0.14 0.14 -0.92 0.00 0.00 175.35 174.97 1nvm s VAL 7 N -1.83 1.41 0.00 3.17 -7.23 0.15 -1.57 120.40 114.51 1nvm s VAL 7 Ca 0.48 -1.87 0.08 0.00 -1.81 0.00 0.00 61.98 58.86 1nvm s VAL 7 Cb -0.11 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.12 1nvm s VAL 7 CO 0.21 -0.49 -0.24 0.00 -0.31 0.00 0.00 175.10 174.27 1nvm s ALA 8 N -2.45 2.03 -0.20 1.32 0.00 -0.19 0.31 121.76 122.58 1nvm s ALA 8 Ca 0.13 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1nvm s ALA 8 Cb -0.03 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1nvm s ALA 8 CO 0.04 0.49 -0.12 0.42 0.00 0.00 0.00 175.76 176.58 1nvm s ILE 9 N -0.65 2.66 -0.37 0.00 1.01 -0.40 -0.64 121.20 122.81 1nvm s ILE 9 Ca 0.10 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 1nvm s ILE 9 Cb -0.09 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.19 1nvm s ILE 9 CO 0.00 0.46 0.50 -0.63 0.00 0.00 0.00 174.94 175.27 1nvm s ILE 10 N 1.37 5.03 0.00 2.92 -1.09 0.60 -0.66 121.20 129.37 1nvm s ILE 10 Ca 0.05 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1nvm s ILE 10 Cb -0.14 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1nvm s ILE 10 CO -0.08 -0.26 0.00 0.61 -1.23 0.00 0.00 174.94 173.97 1nvm n GLY 11 N 4.88 3.49 0.80 6.18 0.00 -0.09 0.01 105.19 120.46 1nvm n GLY 11 Ca -0.05 -0.97 0.04 0.00 0.00 0.00 0.00 46.02 45.04 1nvm n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nvm n SER 12 N 0.00 2.95 -2.42 1.61 3.41 -1.26 -4.18 113.62 113.74 1nvm n SER 12 Ca 0.00 -3.35 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 1nvm n SER 12 Cb 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1nvm n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nvm n GLY 13 N -0.95 0.04 0.13 5.00 0.00 -1.26 -2.41 105.19 105.74 1nvm n GLY 13 Ca 0.24 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 1nvm n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1nvm h ASN 14 N 0.00 -0.16 -0.08 1.61 2.35 -1.94 -0.89 115.58 116.47 1nvm h ASN 14 Ca 0.00 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1nvm h ASN 14 Cb 0.00 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1nvm h ASN 14 CO 0.00 -0.05 -0.01 0.40 -1.65 0.00 0.00 177.43 176.13 1nvm h ILE 15 N 0.06 1.27 -0.51 2.81 1.08 -1.94 -1.82 117.51 118.46 1nvm h ILE 15 Ca 0.14 -0.83 -0.02 0.00 -0.39 0.00 0.00 64.86 63.76 1nvm h ILE 15 Cb 0.19 1.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 1nvm h ILE 15 CO -0.25 0.23 0.25 1.23 -0.69 0.00 0.00 178.15 178.92 1nvm h GLY 16 N -0.17 0.79 1.02 5.37 0.00 -1.70 -1.32 103.07 107.06 1nvm h GLY 16 Ca 0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1nvm h GLY 16 CO 0.01 0.37 -0.24 -0.84 0.00 0.00 0.00 176.54 175.83 1nvm h THR 17 N 0.68 1.28 -0.67 4.70 2.02 -1.18 -0.40 112.91 119.35 1nvm h THR 17 Ca 0.18 -1.39 0.03 0.00 0.77 0.00 0.00 66.41 65.99 1nvm h THR 17 Cb 0.11 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1nvm h THR 17 CO -0.02 0.46 0.41 -0.78 0.37 0.00 0.00 175.52 175.96 1nvm h ASP 18 N 0.60 0.68 -0.51 4.18 1.82 -1.20 -1.47 116.42 120.52 1nvm h ASP 18 Ca 0.07 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.69 1nvm h ASP 18 Cb 0.81 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 1nvm h ASP 18 CO 0.07 0.47 0.20 0.25 -1.61 0.00 0.00 179.24 178.62 1nvm h LEU 19 N 0.81 0.70 -0.64 2.28 5.85 -1.07 -1.51 115.31 121.73 1nvm h LEU 19 Ca 0.27 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1nvm h LEU 19 Cb 0.03 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 1nvm h LEU 19 CO -0.11 0.67 0.31 -0.03 -0.34 0.00 0.00 178.44 178.95 1nvm h MET 20 N 0.68 0.55 -0.61 1.25 4.05 -0.57 -0.06 114.93 120.21 1nvm h MET 20 Ca 0.17 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.50 1nvm h MET 20 Cb 0.19 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1nvm h MET 20 CO -0.01 0.36 0.17 0.82 0.23 0.00 0.00 176.91 178.48 1nvm h ILE 21 N 0.56 1.25 -0.58 1.77 2.04 -0.87 -1.14 117.51 120.54 1nvm h ILE 21 Ca 0.30 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1nvm h ILE 21 Cb 0.27 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1nvm h ILE 21 CO -0.23 0.33 0.14 0.11 0.00 0.00 0.00 178.15 178.50 1nvm h LYS 22 N 0.89 0.90 -0.06 2.37 1.57 -0.80 -0.75 116.57 120.68 1nvm h LYS 22 Ca 0.19 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nvm h LYS 22 Cb 0.32 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1nvm h LYS 22 CO -0.00 0.80 0.02 0.28 -0.57 0.00 0.00 179.45 179.98 1nvm h VAL 23 N 0.87 1.15 -0.68 0.50 2.07 -0.62 0.15 116.25 119.69 1nvm h VAL 23 Ca 0.19 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1nvm h VAL 23 Cb 0.31 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1nvm h VAL 23 CO -0.00 0.13 0.37 -0.07 0.02 0.00 0.00 177.57 178.01 1nvm h LEU 24 N -0.07 0.86 0.18 2.57 3.38 -0.90 -2.55 115.31 118.77 1nvm h LEU 24 Ca 0.02 -0.10 -0.34 0.00 0.09 0.00 0.00 57.88 57.55 1nvm h LEU 24 Cb 0.19 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1nvm h LEU 24 CO -0.00 0.71 -1.71 0.03 0.09 0.00 0.00 178.44 177.56 1nvm h ARG 25 N 0.93 0.37 0.00 1.13 3.08 -1.11 -3.43 114.38 115.36 1nvm h ARG 25 Ca 0.24 -0.64 -0.05 0.00 0.07 0.00 0.00 59.98 59.60 1nvm h ARG 25 Cb 0.05 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1nvm h ARG 25 CO -0.04 1.28 -1.34 0.09 -1.07 0.00 0.00 179.97 178.89 1nvm n ASN 26 N -3.57 3.53 -4.76 7.04 3.02 0.50 -5.05 115.26 115.98 1nvm n ASN 26 Ca -0.23 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.91 1nvm n ASN 26 Cb 1.07 1.02 -0.02 0.00 -0.61 0.00 0.00 39.78 41.24 1nvm n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nvm s ALA 27 N -2.32 3.60 -0.14 5.41 0.00 -0.96 -4.94 121.76 122.41 1nvm s ALA 27 Ca -0.03 1.39 0.17 0.00 0.00 0.00 0.00 51.96 53.49 1nvm s ALA 27 Cb 0.03 -3.56 -0.25 0.00 0.00 0.00 0.00 23.12 19.34 1nvm s ALA 27 CO 0.26 -0.80 0.16 1.63 0.00 0.00 0.00 175.76 177.01 1nvm n LYS 28 N 1.62 0.89 0.00 0.00 5.02 -1.26 -4.58 118.16 119.85 1nvm n LYS 28 Ca 0.04 -0.06 0.04 0.00 -2.02 0.00 0.00 58.31 56.32 1nvm n LYS 28 Cb 0.40 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 1nvm n LYS 28 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1nvm n TYR 29 N -2.54 0.00 -4.19 2.13 4.01 -1.26 -4.81 117.16 110.50 1nvm n TYR 29 Ca -0.23 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.35 1nvm n TYR 29 Cb 0.94 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.86 1nvm n TYR 29 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nvm s LEU 30 N -0.67 2.37 0.01 7.72 1.43 -1.26 -1.37 118.68 126.91 1nvm s LEU 30 Ca 0.09 -0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 52.34 1nvm s LEU 30 Cb 0.06 -0.42 0.01 0.00 0.03 0.00 0.00 46.19 45.87 1nvm s LEU 30 CO 0.10 -0.18 0.20 -1.83 0.23 0.00 0.00 176.35 174.87 1nvm s GLU 31 N -2.45 0.60 0.23 1.70 -1.05 -0.04 -4.75 118.70 112.94 1nvm s GLU 31 Ca 0.04 -0.43 -0.30 0.00 -0.15 0.00 0.00 54.97 54.13 1nvm s GLU 31 Cb -0.05 0.25 -0.10 0.00 -0.44 0.00 0.00 34.13 33.78 1nvm s GLU 31 CO 0.02 -0.16 1.51 -1.64 0.95 0.00 0.00 175.26 175.93 1nvm s MET 32 N -1.75 4.22 -0.12 -4.83 -1.94 -1.26 -0.68 119.30 112.94 1nvm s MET 32 Ca -0.11 2.37 -0.09 0.00 -1.71 0.00 0.00 55.69 56.14 1nvm s MET 32 Cb -0.05 -3.11 -0.06 0.00 2.01 0.00 0.00 34.83 33.63 1nvm s MET 32 CO 0.01 -0.52 -0.21 0.41 -0.01 0.00 0.00 175.02 174.70 1nvm n GLY 33 N 2.67 -0.30 3.46 -0.03 0.00 0.15 -4.72 105.19 106.41 1nvm n GLY 33 Ca 0.09 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1nvm n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm s ALA 34 N -2.41 -1.52 -0.14 4.61 0.00 -0.87 -4.10 121.76 117.33 1nvm s ALA 34 Ca -0.21 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 1nvm s ALA 34 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1nvm s ALA 34 CO 0.28 -0.34 -0.11 1.41 0.00 0.00 0.00 175.76 177.00 1nvm s MET 35 N -1.07 3.40 -0.19 0.00 1.75 -0.36 -1.28 119.30 121.55 1nvm s MET 35 Ca -0.11 -0.67 -0.01 0.00 -1.25 0.00 0.00 55.69 53.65 1nvm s MET 35 Cb -0.02 -2.70 -0.00 0.00 2.84 0.00 0.00 34.83 34.95 1nvm s MET 35 CO 0.08 0.15 -0.11 0.08 -0.65 0.00 0.00 175.02 174.57 1nvm s VAL 36 N 0.52 2.89 0.20 10.11 1.01 0.17 -2.25 120.40 133.05 1nvm s VAL 36 Ca -0.08 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1nvm s VAL 36 Cb -0.15 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1nvm s VAL 36 CO 0.04 0.48 0.08 0.61 0.00 0.00 0.00 175.10 176.30 1nvm n GLY 37 N 4.45 3.67 0.00 4.51 0.00 0.52 -0.92 105.19 117.43 1nvm n GLY 37 Ca -0.19 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1nvm n GLY 37 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nvm n ILE 38 N -0.44 0.30 -3.77 -0.61 -6.64 -1.26 -1.71 119.36 105.24 1nvm n ILE 38 Ca -0.02 -0.50 -0.22 0.00 -1.77 0.00 0.00 62.75 60.23 1nvm n ILE 38 Cb 0.30 1.02 -0.18 0.00 -1.44 0.00 0.00 39.64 39.35 1nvm n ILE 38 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1nvm s ASP 39 N -0.30 1.51 0.58 7.28 2.15 -1.26 -4.88 116.67 121.74 1nvm s ASP 39 Ca 0.00 -0.07 0.30 0.00 0.43 0.00 0.00 52.55 53.21 1nvm s ASP 39 Cb 0.00 -0.41 1.76 0.00 -0.30 0.00 0.00 42.92 43.98 1nvm s ASP 39 CO 0.00 -0.20 2.22 0.00 -0.17 0.00 0.00 175.17 177.02 1nvm h ALA 40 N 8.31 1.45 -0.49 3.66 0.00 -1.94 -2.14 119.26 128.10 1nvm h ALA 40 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1nvm h ALA 40 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1nvm h ALA 40 CO 0.26 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1nvm n ALA 41 N -2.31 2.42 -1.76 0.00 0.00 -1.26 -4.82 120.51 112.79 1nvm n ALA 41 Ca -0.03 -0.98 -0.42 0.00 0.00 0.00 0.00 53.44 52.02 1nvm n ALA 41 Cb 0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 1nvm n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nvm n SER 42 N 1.23 3.60 -0.22 0.00 2.88 -0.81 -4.90 113.62 115.40 1nvm n SER 42 Ca 0.20 1.21 0.01 0.00 -1.33 0.00 0.00 58.87 58.96 1nvm n SER 42 Cb 0.52 -1.59 0.12 0.00 -0.75 0.00 0.00 64.21 62.51 1nvm n SER 42 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1nvm h ASP 43 N 3.15 0.26 -0.80 -3.46 3.58 -1.92 -2.39 116.42 114.84 1nvm h ASP 43 Ca -0.49 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.04 1nvm h ASP 43 Cb 1.25 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.31 1nvm h ASP 43 CO 0.66 0.14 0.49 1.23 -2.88 0.00 0.00 179.24 178.89 1nvm h GLY 44 N 0.43 1.16 1.42 -0.78 0.00 -1.79 0.34 103.07 103.86 1nvm h GLY 44 Ca 0.33 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 1nvm h GLY 44 CO -0.32 0.46 -0.32 1.41 0.00 0.00 0.00 176.54 177.77 1nvm h LEU 45 N 1.11 0.68 -0.43 3.11 3.38 -1.66 -0.39 115.31 121.10 1nvm h LEU 45 Ca 0.29 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1nvm h LEU 45 Cb -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1nvm h LEU 45 CO -0.06 0.95 -0.10 0.00 0.09 0.00 0.00 178.44 179.33 1nvm h ALA 46 N 1.09 0.59 -0.38 1.53 0.00 -0.93 -1.10 119.26 120.05 1nvm h ALA 46 Ca 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1nvm h ALA 46 Cb 0.82 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1nvm h ALA 46 CO 0.07 0.47 0.24 0.00 0.00 0.00 0.00 179.25 180.03 1nvm h ARG 47 N 0.65 0.48 -0.46 0.00 2.47 -0.84 -0.86 114.38 115.82 1nvm h ARG 47 Ca 0.11 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1nvm h ARG 47 Cb 0.63 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 1nvm h ARG 47 CO 0.04 0.32 0.24 0.00 0.56 0.00 0.00 179.97 181.12 1nvm h ALA 48 N 1.15 0.58 -0.83 0.04 0.00 -0.87 -2.30 119.26 117.03 1nvm h ALA 48 Ca 0.15 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1nvm h ALA 48 Cb -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1nvm h ALA 48 CO -0.05 -0.11 0.53 1.96 0.00 0.00 0.00 179.25 181.59 1nvm h GLN 49 N 0.47 1.00 0.00 0.00 4.20 -0.73 -0.43 115.11 119.62 1nvm h GLN 49 Ca 0.20 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1nvm h GLN 49 Cb 0.09 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1nvm h GLN 49 CO -0.13 0.66 -0.24 0.00 -0.67 0.00 0.00 178.83 178.45 1nvm h ARG 50 N 1.03 0.00 -0.30 1.46 2.47 -0.77 -2.49 114.38 115.77 1nvm h ARG 50 Ca 0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1nvm h ARG 50 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1nvm h ARG 50 CO -0.12 0.24 0.00 -1.33 0.56 0.00 0.00 179.97 179.32 1nvm n MET 51 N -4.22 1.93 -1.01 0.04 2.81 -0.69 -4.95 117.12 111.03 1nvm n MET 51 Ca -0.02 -1.42 -0.00 0.00 -1.81 0.00 0.00 57.70 54.44 1nvm n MET 51 Cb 0.29 -1.38 -0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1nvm n MET 51 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nvm n GLY 52 N 1.19 0.47 3.72 3.03 0.00 -0.72 -5.02 105.19 107.87 1nvm n GLY 52 Ca 0.16 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1nvm n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nvm s VAL 53 N -1.95 4.97 0.35 1.61 1.01 -0.26 -5.00 120.40 121.14 1nvm s VAL 53 Ca 0.00 1.58 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 1nvm s VAL 53 Cb 0.00 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 1nvm s VAL 53 CO 0.00 0.25 1.46 0.41 0.00 0.00 0.00 175.10 177.22 1nvm n THR 54 N 3.67 1.79 -4.35 3.92 -1.04 -1.26 -4.00 114.28 113.02 1nvm n THR 54 Ca -0.00 -0.45 -0.18 0.00 -2.04 0.00 0.00 64.05 61.38 1nvm n THR 54 Cb 0.51 -1.86 -0.10 0.00 -1.82 0.00 0.00 70.33 67.06 1nvm n THR 54 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1nvm s THR 55 N -0.88 1.23 -0.05 12.58 -4.23 -1.26 -1.22 115.64 121.82 1nvm s THR 55 Ca 0.56 -2.07 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1nvm s THR 55 Cb -0.51 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.05 1nvm s THR 55 CO 0.60 -0.38 0.22 0.28 -0.54 0.00 0.00 174.62 174.80 1nvm s THR 56 N -3.29 0.04 -0.16 3.99 -1.32 -0.95 -4.95 115.64 109.00 1nvm s THR 56 Ca 0.27 -0.30 0.17 0.00 -1.21 0.00 0.00 61.69 60.63 1nvm s THR 56 Cb 0.05 -0.41 0.44 0.00 -1.51 0.00 0.00 72.50 71.06 1nvm s THR 56 CO 0.08 -0.16 1.32 0.00 -2.21 0.00 0.00 174.62 173.65 1nvm n TYR 57 N 2.19 0.58 -1.03 9.09 0.18 -1.26 -0.35 117.16 126.56 1nvm n TYR 57 Ca -0.17 -0.94 0.04 0.00 1.88 0.00 0.00 57.90 58.70 1nvm n TYR 57 Cb 0.57 -0.25 0.31 0.00 -0.38 0.00 0.00 39.34 39.58 1nvm n TYR 57 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1nvm n ALA 58 N -0.88 3.75 -0.76 -3.48 0.00 -1.21 -4.06 120.51 113.86 1nvm n ALA 58 Ca 0.19 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.34 1nvm n ALA 58 Cb 0.80 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1nvm n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nvm n GLY 59 N -0.17 0.41 0.35 0.00 0.00 -0.69 -1.52 105.19 103.56 1nvm n GLY 59 Ca 0.29 -0.92 0.02 0.00 0.00 0.00 0.00 46.02 45.42 1nvm n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nvm h VAL 60 N 0.00 1.14 -0.69 1.61 2.07 -1.96 -1.28 116.25 117.15 1nvm h VAL 60 Ca 0.00 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1nvm h VAL 60 Cb 0.00 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.85 1nvm h VAL 60 CO 0.00 0.17 0.42 -0.08 0.02 0.00 0.00 177.57 178.10 1nvm h GLU 61 N 0.93 0.78 -0.58 1.57 4.57 -1.99 -1.75 114.58 118.10 1nvm h GLU 61 Ca 0.28 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.38 1nvm h GLU 61 Cb -0.01 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 1nvm h GLU 61 CO -0.07 0.51 0.22 0.78 -1.18 0.00 0.00 179.01 179.28 1nvm h GLY 62 N 0.80 0.94 0.91 1.92 0.00 -0.20 -3.00 103.07 104.44 1nvm h GLY 62 Ca 0.29 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.11 1nvm h GLY 62 CO -0.13 0.49 0.13 -2.00 0.00 0.00 0.00 176.54 175.03 1nvm h LEU 63 N 0.81 0.20 -2.03 3.11 5.85 -0.76 -2.72 115.31 119.77 1nvm h LEU 63 Ca 0.19 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1nvm h LEU 63 Cb 0.22 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1nvm h LEU 63 CO -0.01 0.15 -0.10 0.16 -0.34 0.00 0.00 178.44 178.30 1nvm h ILE 64 N 0.27 0.61 -0.00 4.05 3.07 -1.26 -1.79 117.51 122.45 1nvm h ILE 64 Ca 0.10 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.10 1nvm h ILE 64 Cb 0.02 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 1nvm h ILE 64 CO -0.06 0.09 -0.26 0.29 -1.05 0.00 0.00 178.15 177.16 1nvm n LYS 65 N -3.75 0.49 -2.29 0.16 5.02 -1.04 -4.82 118.16 111.92 1nvm n LYS 65 Ca -0.02 -0.24 -0.37 0.00 -2.02 0.00 0.00 58.31 55.65 1nvm n LYS 65 Cb 0.20 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 1nvm n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nvm s LEU 66 N -2.67 4.04 0.31 -0.35 1.43 -0.67 -4.92 118.68 115.85 1nvm s LEU 66 Ca 0.21 2.28 0.03 0.00 -1.03 0.00 0.00 54.13 55.62 1nvm s LEU 66 Cb 0.19 -4.21 0.60 0.00 0.03 0.00 0.00 46.19 42.79 1nvm s LEU 66 CO 0.56 -0.85 1.88 -0.65 0.23 0.00 0.00 176.35 177.52 1nvm h PRO 67 N 2.16 0.92 0.00 1.29 0.11 -1.90 -0.42 132.00 134.16 1nvm h PRO 67 Ca -0.49 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1nvm h PRO 67 Cb 1.24 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1nvm h PRO 67 CO 0.61 0.61 -0.02 0.93 -0.21 0.00 0.00 178.00 179.92 1nvm h GLU 68 N 0.95 0.00 -0.78 1.05 3.07 -1.91 -3.21 114.58 113.76 1nvm h GLU 68 Ca 0.43 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 59.39 1nvm h GLU 68 Cb 0.39 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.25 1nvm h GLU 68 CO -0.19 0.02 0.51 0.35 -1.40 0.00 0.00 179.01 178.30 1nvm h PHE 69 N 0.00 0.73 -0.34 4.33 3.57 -1.29 -1.45 116.94 122.50 1nvm h PHE 69 Ca -0.00 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1nvm h PHE 69 Cb 0.05 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1nvm h PHE 69 CO 0.00 0.34 0.24 0.00 -2.23 0.00 0.00 178.31 176.65 1nvm h ALA 70 N 1.61 2.13 -0.37 2.41 0.00 -1.74 -1.67 119.26 121.63 1nvm h ALA 70 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1nvm h ALA 70 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nvm h ALA 70 CO -0.14 -0.21 0.00 -0.25 0.00 0.00 0.00 179.25 178.65 1nvm n ASP 71 N -4.47 3.28 -4.64 0.00 8.00 -0.56 -4.94 116.55 113.22 1nvm n ASP 71 Ca 0.04 -1.97 -0.41 0.00 0.71 0.00 0.00 54.79 53.17 1nvm n ASP 71 Cb 0.31 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.12 1nvm n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nvm s ILE 72 N -1.53 4.93 -0.05 0.53 1.01 -0.63 -3.92 121.20 121.54 1nvm s ILE 72 Ca 0.38 1.34 0.17 0.00 0.00 0.00 0.00 60.65 62.54 1nvm s ILE 72 Cb 0.22 -4.02 -0.26 0.00 0.01 0.00 0.00 42.46 38.42 1nvm s ILE 72 CO 0.31 0.00 0.32 0.47 0.00 0.00 0.00 174.94 176.04 1nvm n ASP 73 N 5.69 1.02 -4.25 3.58 8.00 -0.61 -4.97 116.55 125.02 1nvm n ASP 73 Ca 0.02 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.25 1nvm n ASP 73 Cb 0.48 1.61 -0.15 0.00 -0.02 0.00 0.00 41.12 43.05 1nvm n ASP 73 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1nvm s PHE 74 N -3.04 1.92 -0.06 1.24 0.40 -1.11 -1.41 117.98 115.92 1nvm s PHE 74 Ca -0.07 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1nvm s PHE 74 Cb 0.10 -1.21 0.02 0.00 0.51 0.00 0.00 43.02 42.44 1nvm s PHE 74 CO 0.71 0.01 -0.06 0.08 0.70 0.00 0.00 175.22 176.66 1nvm s VAL 75 N -0.61 0.74 -0.22 -0.44 1.01 0.15 -1.02 120.40 120.02 1nvm s VAL 75 Ca 0.08 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1nvm s VAL 75 Cb -0.09 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1nvm s VAL 75 CO 0.00 0.29 0.14 -0.36 0.00 0.00 0.00 175.10 175.16 1nvm s PHE 76 N 1.12 3.34 -0.53 5.22 0.40 0.18 -0.46 117.98 127.26 1nvm s PHE 76 Ca -0.07 0.23 -0.18 0.00 -0.60 0.00 0.00 56.93 56.32 1nvm s PHE 76 Cb -0.14 -2.20 0.09 0.00 0.51 0.00 0.00 43.02 41.27 1nvm s PHE 76 CO -0.01 0.15 0.58 0.34 0.70 0.00 0.00 175.22 176.99 1nvm s ASP 77 N 0.72 6.19 -0.20 1.36 -1.08 0.61 -0.29 116.67 123.97 1nvm s ASP 77 Ca 0.07 -1.32 0.15 0.00 -0.52 0.00 0.00 52.55 50.93 1nvm s ASP 77 Cb -0.12 -2.26 0.49 0.00 -1.46 0.00 0.00 42.92 39.57 1nvm s ASP 77 CO 0.01 -0.91 1.40 0.00 0.52 0.00 0.00 175.17 176.19 1nvm n ALA 78 N 5.87 3.26 -2.07 3.66 0.00 0.10 -1.63 120.51 129.71 1nvm n ALA 78 Ca -0.10 -2.59 -0.38 0.00 0.00 0.00 0.00 53.44 50.38 1nvm n ALA 78 Cb 0.43 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 1nvm n ALA 78 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nvm s THR 79 N -2.96 4.50 -0.18 0.00 -4.23 -1.00 -4.44 115.64 107.33 1nvm s THR 79 Ca 0.42 1.45 0.22 0.00 -1.18 0.00 0.00 61.69 62.60 1nvm s THR 79 Cb 0.35 -3.98 -0.09 0.00 1.34 0.00 0.00 72.50 70.13 1nvm s THR 79 CO 0.06 0.37 0.90 -1.54 -0.54 0.00 0.00 174.62 173.87 1nvm n SER 80 N 1.19 0.66 -4.68 3.99 3.41 -1.26 -4.79 113.62 112.13 1nvm n SER 80 Ca -0.05 0.26 -0.30 0.00 -0.26 0.00 0.00 58.87 58.52 1nvm n SER 80 Cb 0.50 0.78 0.15 0.00 -0.26 0.00 0.00 64.21 65.38 1nvm n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nvm s ALA 81 N -3.37 1.41 0.27 7.33 0.00 -1.26 -4.87 121.76 121.27 1nvm s ALA 81 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1nvm s ALA 81 Cb 0.10 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1nvm s ALA 81 CO 0.82 -2.60 0.00 -1.13 0.00 0.00 0.00 175.76 172.85 1nvm n SER 82 N -4.09 0.00 -1.64 0.00 3.41 -1.26 -4.77 113.62 105.27 1nvm n SER 82 Ca 0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.53 1nvm n SER 82 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1nvm n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nvm n ALA 83 N -3.00 -0.39 -0.17 7.33 0.00 -1.26 -4.89 120.51 118.13 1nvm n ALA 83 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.62 1nvm n ALA 83 Cb 0.00 -1.83 0.19 0.00 0.00 0.00 0.00 19.45 17.81 1nvm n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nvm h HIS 84 N 0.00 0.93 -0.00 0.00 -0.00 -1.99 -1.78 115.15 112.30 1nvm h HIS 84 Ca -0.38 -0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 59.86 1nvm h HIS 84 Cb 1.21 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 28.33 1nvm h HIS 84 CO 0.47 0.71 -0.38 -0.24 -0.00 0.00 0.00 177.93 178.48 1nvm h VAL 85 N 0.90 1.28 -0.56 2.45 3.04 -1.99 0.10 116.25 121.47 1nvm h VAL 85 Ca 0.21 -1.32 -0.08 0.00 -1.01 0.00 0.00 66.70 64.51 1nvm h VAL 85 Cb 0.18 1.71 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 1nvm h VAL 85 CO -0.02 0.38 0.06 1.56 -1.01 0.00 0.00 177.57 178.54 1nvm h GLN 86 N 0.01 0.95 -0.43 4.17 7.50 -1.74 0.05 115.11 125.63 1nvm h GLN 86 Ca -0.00 -0.28 -0.01 0.00 0.50 0.00 0.00 58.65 58.87 1nvm h GLN 86 Cb 0.68 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 28.09 1nvm h GLN 86 CO 0.05 0.93 0.24 -0.91 -1.50 0.00 0.00 178.83 177.64 1nvm h ASN 87 N 0.84 0.53 -0.32 1.46 2.35 -0.73 -2.23 115.58 117.49 1nvm h ASN 87 Ca 0.17 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1nvm h ASN 87 Cb 0.46 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1nvm h ASN 87 CO 0.02 0.46 0.20 -0.08 -1.65 0.00 0.00 177.43 176.37 1nvm h GLU 88 N 0.56 0.42 -0.52 0.81 4.81 -0.67 -1.71 114.58 118.28 1nvm h GLU 88 Ca 0.15 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1nvm h GLU 88 Cb 0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1nvm h GLU 88 CO -0.03 0.30 0.34 0.00 -0.73 0.00 0.00 179.01 178.90 1nvm h ALA 89 N 1.10 0.66 -0.51 2.92 0.00 -0.80 -0.09 119.26 122.53 1nvm h ALA 89 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1nvm h ALA 89 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1nvm h ALA 89 CO -0.02 0.10 -0.01 1.25 0.00 0.00 0.00 179.25 180.57 1nvm h LEU 90 N 0.70 0.89 -0.93 0.00 5.85 -1.29 -2.06 115.31 118.47 1nvm h LEU 90 Ca 0.19 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1nvm h LEU 90 Cb -0.08 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 1nvm h LEU 90 CO -0.04 0.98 0.48 -0.07 -0.34 0.00 0.00 178.44 179.46 1nvm h LEU 91 N 0.77 1.11 -0.14 2.25 3.38 -0.94 -2.88 115.31 118.86 1nvm h LEU 91 Ca 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nvm h LEU 91 Cb 0.53 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1nvm h LEU 91 CO 0.03 0.89 0.00 0.03 0.09 0.00 0.00 178.44 179.48 1nvm h ARG 92 N 1.25 0.00 -0.50 1.13 3.08 -0.92 0.72 114.38 119.14 1nvm h ARG 92 Ca 0.31 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.26 1nvm h ARG 92 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1nvm h ARG 92 CO -0.05 0.00 -0.11 0.37 -1.07 0.00 0.00 179.97 179.11 1nvm h GLN 93 N 0.00 0.92 0.13 0.04 4.15 -1.16 -2.33 115.11 116.86 1nvm h GLN 93 Ca 0.00 -0.33 -0.28 0.00 0.77 0.00 0.00 58.65 58.81 1nvm h GLN 93 Cb 0.92 -0.07 0.02 0.00 0.21 0.00 0.00 27.48 28.56 1nvm h GLN 93 CO 0.00 0.98 -1.24 0.00 -1.93 0.00 0.00 178.83 176.64 1nvm h ALA 94 N 1.04 0.07 -1.59 3.38 0.00 -1.30 -3.43 119.26 117.44 1nvm h ALA 94 Ca 0.13 -0.83 -0.24 0.00 0.00 0.00 0.00 54.91 53.98 1nvm h ALA 94 Cb 0.64 0.06 -0.27 0.00 0.00 0.00 0.00 17.79 18.22 1nvm h ALA 94 CO 0.04 0.84 -0.58 0.21 0.00 0.00 0.00 179.25 179.76 1nvm s LYS 95 N -2.81 0.67 0.54 0.00 2.20 0.20 -5.05 119.74 115.49 1nvm s LYS 95 Ca -0.06 -0.50 0.20 0.00 -0.36 0.00 0.00 55.97 55.25 1nvm s LYS 95 Cb 0.06 -0.38 1.42 0.00 -1.51 0.00 0.00 37.83 37.43 1nvm s LYS 95 CO 0.90 -1.17 2.16 -1.35 -0.36 0.00 0.00 175.35 175.54 1nvm h PRO 96 N 7.21 0.00 -0.42 4.03 0.11 -1.65 -2.65 132.00 138.63 1nvm h PRO 96 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1nvm h PRO 96 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1nvm h PRO 96 CO 0.18 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.38 1nvm n GLY 97 N -1.49 1.28 3.73 -0.55 0.00 -1.26 -4.92 105.19 101.97 1nvm n GLY 97 Ca -0.02 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 1nvm n GLY 97 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1nvm n ILE 98 N 0.99 3.36 -3.22 -0.61 3.06 -1.00 -4.96 119.36 116.98 1nvm n ILE 98 Ca 0.18 -0.50 -0.40 0.00 -2.50 0.00 0.00 62.75 59.53 1nvm n ILE 98 Cb 0.46 -1.64 -0.07 0.00 0.54 0.00 0.00 39.64 38.93 1nvm n ILE 98 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1nvm s ARG 99 N -2.65 4.16 -0.21 9.51 1.81 -0.50 -4.79 118.95 126.29 1nvm s ARG 99 Ca 0.68 0.43 -0.01 0.00 -1.72 0.00 0.00 55.73 55.11 1nvm s ARG 99 Cb -0.44 -3.59 0.02 0.00 -0.45 0.00 0.00 34.95 30.49 1nvm s ARG 99 CO 0.52 -0.22 -0.12 -1.17 -0.68 0.00 0.00 175.30 173.63 1nvm s LEU 100 N 1.86 2.64 -0.25 2.53 2.96 0.97 -0.67 118.68 128.73 1nvm s LEU 100 Ca 0.24 -0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 53.41 1nvm s LEU 100 Cb -0.15 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1nvm s LEU 100 CO 0.09 -0.05 0.05 -0.63 -1.32 0.00 0.00 176.35 174.50 1nvm s ILE 101 N 1.34 4.13 -0.23 6.68 1.01 0.40 -1.08 121.20 133.44 1nvm s ILE 101 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 1nvm s ILE 101 Cb -0.15 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1nvm s ILE 101 CO -0.08 0.34 0.08 -0.62 0.00 0.00 0.00 174.94 174.66 1nvm s ASP 102 N 1.59 5.42 0.00 3.58 -1.08 0.34 -0.28 116.67 126.23 1nvm s ASP 102 Ca 0.06 -0.08 0.26 0.00 -0.52 0.00 0.00 52.55 52.27 1nvm s ASP 102 Cb -0.15 -1.96 0.72 0.00 -1.46 0.00 0.00 42.92 40.07 1nvm s ASP 102 CO 0.02 0.04 1.56 0.18 0.52 0.00 0.00 175.17 177.49 1nvm n LEU 103 N 4.44 0.47 -4.74 -1.34 4.77 -0.65 -1.22 117.00 118.74 1nvm n LEU 103 Ca -0.16 0.06 -0.36 0.00 -0.03 0.00 0.00 56.01 55.52 1nvm n LEU 103 Cb 0.52 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1nvm n LEU 103 CO 0.33 0.11 -0.02 -0.89 -1.33 0.00 0.00 177.39 175.58 1nvm s THR 104 N -2.90 5.31 0.29 -5.08 2.01 -1.26 -4.82 115.64 109.18 1nvm s THR 104 Ca 0.15 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.38 1nvm s THR 104 Cb 0.18 -3.62 -0.12 0.00 0.01 0.00 0.00 72.50 68.95 1nvm s THR 104 CO 0.63 0.40 1.55 -0.81 -0.69 0.00 0.00 174.62 175.70 1nvm n PRO 105 N 3.48 2.56 -3.23 4.92 -0.04 -1.23 -4.74 135.00 136.71 1nvm n PRO 105 Ca -0.12 0.91 -0.32 0.00 -0.04 0.00 0.00 63.50 63.93 1nvm n PRO 105 Cb 0.52 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 31.27 1nvm n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nvm s ALA 106 N -0.07 3.45 0.27 0.55 0.00 -1.26 -5.00 121.76 119.70 1nvm s ALA 106 Ca 0.64 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.44 1nvm s ALA 106 Cb -0.53 -2.59 0.38 0.00 0.00 0.00 0.00 23.12 20.39 1nvm s ALA 106 CO 0.49 0.35 1.76 0.00 0.00 0.00 0.00 175.76 178.37 1nvm h ALA 107 N 2.20 1.13 -3.12 0.00 0.00 -1.98 -3.42 119.26 114.06 1nvm h ALA 107 Ca -0.47 -0.27 -0.66 0.00 0.00 0.00 0.00 54.91 53.50 1nvm h ALA 107 Cb 1.18 -0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 1nvm h ALA 107 CO 0.67 0.55 -0.57 0.42 0.00 0.00 0.00 179.25 180.31 1nvm s ILE 108 N -4.87 4.72 0.49 0.00 -1.09 -1.26 -4.91 121.20 114.28 1nvm s ILE 108 Ca -0.09 -0.09 0.08 0.00 -2.23 0.00 0.00 60.65 58.33 1nvm s ILE 108 Cb 0.14 -3.03 0.04 0.00 -1.58 0.00 0.00 42.46 38.04 1nvm s ILE 108 CO 0.80 0.58 0.67 -0.83 -1.23 0.00 0.00 174.94 174.94 1nvm s GLY 109 N -0.67 1.85 0.21 6.18 0.00 -1.26 -4.92 107.32 108.72 1nvm s GLY 109 Ca 0.11 -1.86 0.02 0.00 0.00 0.00 0.00 44.72 42.99 1nvm s GLY 109 CO 0.02 -1.56 0.37 2.56 0.00 0.00 0.00 173.10 174.50 1nvm s PRO 110 N -4.50 3.47 0.26 2.90 0.04 -1.26 -5.14 135.00 130.77 1nvm s PRO 110 Ca 0.58 -0.52 0.10 0.00 0.04 0.00 0.00 61.00 61.19 1nvm s PRO 110 Cb -0.08 -2.87 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 1nvm s PRO 110 CO 0.36 0.41 -0.16 0.71 0.04 0.00 0.00 177.00 178.37 1nvm s TYR 111 N -1.91 2.04 -0.12 0.56 2.02 -1.26 -4.44 117.35 114.24 1nvm s TYR 111 Ca 0.36 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1nvm s TYR 111 Cb -0.10 -0.96 -0.01 0.00 -0.40 0.00 0.00 41.96 40.48 1nvm s TYR 111 CO 0.30 0.53 -0.15 0.00 -1.57 0.00 0.00 175.55 174.65 1nvm s VAL 113 N 0.25 1.83 0.24 0.00 1.01 -1.26 -4.29 120.40 118.18 1nvm s VAL 113 Ca -0.10 -2.08 -0.05 0.00 0.00 0.00 0.00 61.98 59.75 1nvm s VAL 113 Cb -0.16 -2.36 0.22 0.00 0.00 0.00 0.00 36.38 34.09 1nvm s VAL 113 CO 0.06 -0.64 1.70 -0.65 0.00 0.00 0.00 175.10 175.57 1nvm h PRO 114 N 7.71 0.32 0.00 2.72 0.10 -1.93 -0.00 132.00 140.92 1nvm h PRO 114 Ca -0.07 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 66.01 1nvm h PRO 114 Cb 1.01 -0.07 0.00 0.00 0.10 0.00 0.00 31.00 32.04 1nvm h PRO 114 CO 0.51 0.21 0.00 -0.24 0.10 0.00 0.00 178.00 178.58 1nvm h VAL 115 N 0.33 0.00 0.00 3.15 3.04 -1.96 -2.72 116.25 118.09 1nvm h VAL 115 Ca 0.41 -0.18 -0.21 0.00 -1.01 0.00 0.00 66.70 65.71 1nvm h VAL 115 Cb 0.66 1.18 -0.03 0.00 -2.01 0.00 0.00 31.29 31.08 1nvm h VAL 115 CO -0.46 0.00 -1.63 0.52 -1.01 0.00 0.00 177.57 174.99 1nvm n VAL 116 N -3.07 1.42 -1.85 1.51 0.31 -0.12 -4.85 118.33 111.68 1nvm n VAL 116 Ca -0.02 -0.08 0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1nvm n VAL 116 Cb 0.15 -2.06 0.14 0.00 -0.91 0.00 0.00 33.84 31.17 1nvm n VAL 116 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1nvm n ASN 117 N -4.24 1.49 -0.33 4.52 6.94 -0.59 -4.81 115.26 118.24 1nvm n ASN 117 Ca -0.30 -3.25 0.01 0.00 -0.02 0.00 0.00 54.58 51.02 1nvm n ASN 117 Cb 0.65 -0.45 0.15 0.00 -2.36 0.00 0.00 39.78 37.78 1nvm n ASN 117 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1nvm h LEU 118 N 0.92 0.90 -2.54 -4.53 5.85 -1.62 -2.16 115.31 112.13 1nvm h LEU 118 Ca -0.07 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1nvm h LEU 118 Cb 1.28 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1nvm h LEU 118 CO 0.03 0.57 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.35 1nvm h GLU 119 N 1.03 0.00 0.00 1.25 4.39 -1.87 -0.52 114.58 118.86 1nvm h GLU 119 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1nvm h GLU 119 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1nvm h GLU 119 CO -0.18 0.02 0.00 0.93 -1.16 0.00 0.00 179.01 178.62 1nvm h GLU 120 N 0.00 0.00 -0.10 2.33 5.08 -1.77 -3.21 114.58 116.91 1nvm h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nvm h GLU 120 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1nvm h GLU 120 CO 0.00 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 1nvm n HIS 121 N -2.35 0.10 -0.35 4.33 8.25 -0.21 -4.69 115.22 120.30 1nvm n HIS 121 Ca 0.04 -0.07 0.11 0.00 -0.26 0.00 0.00 57.72 57.54 1nvm n HIS 121 Cb 0.34 -0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.75 1nvm n HIS 121 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1nvm h LEU 122 N 3.58 0.81 -2.84 2.41 3.38 -1.56 -2.01 115.31 119.07 1nvm h LEU 122 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1nvm h LEU 122 Cb 0.78 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1nvm h LEU 122 CO 0.00 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1nvm n GLY 123 N -1.33 2.60 3.79 0.83 0.00 -1.26 -4.90 105.19 104.91 1nvm n GLY 123 Ca 0.22 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1nvm n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nvm s LYS 124 N -1.18 4.42 0.13 1.61 -0.14 -0.76 -4.96 119.74 118.86 1nvm s LYS 124 Ca 0.47 1.37 0.11 0.00 -1.36 0.00 0.00 55.97 56.56 1nvm s LYS 124 Cb 0.26 -2.66 -0.13 0.00 -1.68 0.00 0.00 37.83 33.61 1nvm s LYS 124 CO 0.30 0.12 1.16 -0.07 -0.76 0.00 0.00 175.35 176.10 1nvm h LEU 125 N 2.84 0.00 -8.43 3.17 3.38 -1.89 -3.45 115.31 110.92 1nvm h LEU 125 Ca -0.47 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.87 1nvm h LEU 125 Cb 1.20 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.64 1nvm h LEU 125 CO 0.64 0.82 -0.86 0.20 0.09 0.00 0.00 178.44 179.33 1nvm s ASN 126 N -6.43 2.61 -0.05 -0.43 0.01 -1.26 -0.02 114.94 109.38 1nvm s ASN 126 Ca 0.00 -0.41 -0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1nvm s ASN 126 Cb 0.09 -0.47 0.03 0.00 0.41 0.00 0.00 41.25 41.31 1nvm s ASN 126 CO 0.80 0.24 0.00 -0.69 -1.51 0.00 0.00 177.10 175.95 1nvm s VAL 127 N -0.34 0.27 -0.15 1.60 1.01 -0.24 -4.96 120.40 117.59 1nvm s VAL 127 Ca 0.04 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1nvm s VAL 127 Cb -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1nvm s VAL 127 CO 0.01 0.20 0.02 0.21 0.00 0.00 0.00 175.10 175.54 1nvm s ASN 128 N 1.50 5.33 -0.32 3.32 3.84 -1.26 -0.50 114.94 126.84 1nvm s ASN 128 Ca -0.03 0.06 -0.03 0.00 0.21 0.00 0.00 52.86 53.08 1nvm s ASN 128 Cb -0.13 -1.79 0.10 0.00 -0.55 0.00 0.00 41.25 38.88 1nvm s ASN 128 CO -0.03 0.24 2.47 0.23 -2.79 0.00 0.00 177.10 177.22 1nvm n MET 129 N 3.09 2.01 0.00 0.43 2.81 -0.36 -1.15 117.12 123.95 1nvm n MET 129 Ca -0.17 -1.74 0.00 0.00 -1.81 0.00 0.00 57.70 53.98 1nvm n MET 129 Cb 0.53 -1.83 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1nvm n MET 129 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1nvm n VAL 130 N 0.82 0.00 -2.53 2.03 3.14 -1.26 -4.76 118.33 115.77 1nvm n VAL 130 Ca 0.37 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.52 1nvm n VAL 130 Cb 0.60 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.42 1nvm n VAL 130 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1nvm s THR 131 N 0.00 2.68 0.28 1.55 -4.23 -1.26 -3.58 115.64 111.07 1nvm s THR 131 Ca 0.00 -0.52 -0.00 0.00 -1.18 0.00 0.00 61.69 59.99 1nvm s THR 131 Cb 0.00 -3.05 0.12 0.00 1.34 0.00 0.00 72.50 70.91 1nvm s THR 131 CO 0.00 -0.04 1.78 0.00 -0.54 0.00 0.00 174.62 175.82 1nvm h GLY 133 N 0.95 1.14 0.96 0.00 0.00 -1.96 -1.07 103.07 103.09 1nvm h GLY 133 Ca 0.13 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 1nvm h GLY 133 CO 0.02 0.59 -0.12 -1.33 0.00 0.00 0.00 176.54 175.69 1nvm h GLY 134 N 1.02 0.77 1.28 4.60 0.00 -1.70 -0.51 103.07 108.53 1nvm h GLY 134 Ca 0.24 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1nvm h GLY 134 CO -0.02 0.60 0.45 1.46 0.00 0.00 0.00 176.54 179.04 1nvm h GLN 135 N 0.50 0.87 0.09 4.80 1.08 -0.61 -0.52 115.11 121.32 1nvm h GLN 135 Ca 0.09 -0.05 -0.26 0.00 -1.45 0.00 0.00 58.65 56.97 1nvm h GLN 135 Cb 0.65 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1nvm h GLN 135 CO 0.04 0.57 -1.25 0.00 -0.95 0.00 0.00 178.83 177.25 1nvm h ALA 136 N 1.58 0.21 0.00 3.87 0.00 -0.99 -3.41 119.26 120.52 1nvm h ALA 136 Ca 0.26 -0.95 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 1nvm h ALA 136 Cb -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1nvm h ALA 136 CO -0.06 1.09 -1.75 0.25 0.00 0.00 0.00 179.25 178.77 1nvm n THR 137 N -3.46 0.45 -0.31 0.00 -2.24 -0.22 -4.54 114.28 103.97 1nvm n THR 137 Ca -0.08 -0.43 0.05 0.00 -2.27 0.00 0.00 64.05 61.31 1nvm n THR 137 Cb 1.01 -0.26 0.24 0.00 -2.10 0.00 0.00 70.33 69.23 1nvm n THR 137 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1nvm h ILE 138 N 0.00 1.04 -0.87 2.28 1.08 -1.28 -0.73 117.51 119.05 1nvm h ILE 138 Ca -0.18 -0.35 0.08 0.00 -0.39 0.00 0.00 64.86 64.02 1nvm h ILE 138 Cb 1.23 -0.06 -0.06 0.00 -3.07 0.00 0.00 36.82 34.86 1nvm h ILE 138 CO 0.01 0.19 0.56 -0.65 -0.69 0.00 0.00 178.15 177.57 1nvm h PRO 139 N 1.02 0.89 -0.15 2.37 0.11 -1.80 0.27 132.00 134.71 1nvm h PRO 139 Ca 0.40 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.25 1nvm h PRO 139 Cb 0.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1nvm h PRO 139 CO -0.16 0.59 -0.73 0.52 -0.21 0.00 0.00 178.00 178.01 1nvm h MET 140 N 0.92 0.70 -0.64 1.05 2.86 -1.40 -0.76 114.93 117.68 1nvm h MET 140 Ca 0.38 -0.55 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1nvm h MET 140 Cb 0.29 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1nvm h MET 140 CO -0.15 1.17 0.18 0.28 1.06 0.00 0.00 176.91 179.45 1nvm h VAL 141 N 0.49 1.25 -0.09 -2.22 2.07 -0.86 -2.61 116.25 114.28 1nvm h VAL 141 Ca -0.04 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 1nvm h VAL 141 Cb 1.34 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1nvm h VAL 141 CO 0.15 0.34 -0.25 0.00 0.02 0.00 0.00 177.57 177.82 1nvm h ALA 142 N 1.06 1.41 -0.14 1.67 0.00 -0.87 -0.26 119.26 122.13 1nvm h ALA 142 Ca 0.20 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1nvm h ALA 142 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nvm h ALA 142 CO -0.00 0.42 -0.31 0.00 0.00 0.00 0.00 179.25 179.35 1nvm h ALA 143 N 1.60 1.21 0.16 0.00 0.00 -0.81 -1.61 119.26 119.80 1nvm h ALA 143 Ca 0.02 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 1nvm h ALA 143 Cb 0.54 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1nvm h ALA 143 CO 0.04 0.53 -1.08 0.28 0.00 0.00 0.00 179.25 179.02 1nvm h VAL 144 N 0.24 1.37 -0.79 0.00 2.07 -1.05 -3.34 116.25 114.75 1nvm h VAL 144 Ca 0.03 -2.55 0.14 0.00 0.82 0.00 0.00 66.70 65.14 1nvm h VAL 144 Cb 0.68 3.08 -0.06 0.00 -1.52 0.00 0.00 31.29 33.47 1nvm h VAL 144 CO 0.05 0.74 0.52 0.28 0.02 0.00 0.00 177.57 179.18 1nvm h SER 145 N -0.25 0.50 0.57 0.57 0.02 -0.82 -0.02 113.55 114.12 1nvm h SER 145 Ca -0.20 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1nvm h SER 145 Cb 1.78 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.25 1nvm h SER 145 CO 0.16 0.27 0.00 -2.11 -1.14 0.00 0.00 176.83 174.01 1nvm n ARG 146 N -4.51 0.03 -0.13 3.45 1.85 -0.63 -3.16 116.66 113.57 1nvm n ARG 146 Ca 0.15 0.26 -0.21 0.00 -1.00 0.00 0.00 57.85 57.05 1nvm n ARG 146 Cb 0.47 -1.56 -0.11 0.00 -1.05 0.00 0.00 32.46 30.22 1nvm n ARG 146 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1nvm n VAL 147 N -1.61 1.42 -3.64 8.89 0.31 -0.13 -5.07 118.33 118.50 1nvm n VAL 147 Ca 0.03 -0.48 -0.12 0.00 -0.01 0.00 0.00 64.34 63.77 1nvm n VAL 147 Cb 0.19 -1.53 -0.05 0.00 -0.91 0.00 0.00 33.84 31.54 1nvm n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nvm s ALA 148 N -2.49 -0.99 0.25 3.52 0.00 -0.57 -5.02 121.76 116.46 1nvm s ALA 148 Ca -0.34 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 1nvm s ALA 148 Cb 0.10 0.54 -0.11 0.00 0.00 0.00 0.00 23.12 23.65 1nvm s ALA 148 CO 0.53 -0.56 1.52 0.21 0.00 0.00 0.00 175.76 177.46 1nvm s LYS 149 N -3.18 4.20 -0.26 0.00 2.20 -1.26 -3.87 119.74 117.57 1nvm s LYS 149 Ca -0.01 2.42 -0.13 0.00 -0.36 0.00 0.00 55.97 57.89 1nvm s LYS 149 Cb 0.01 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 1nvm s LYS 149 CO -0.07 -0.53 0.30 0.08 -0.36 0.00 0.00 175.35 174.76 1nvm s VAL 150 N 0.17 5.24 0.02 4.02 1.01 -1.26 -0.63 120.40 128.96 1nvm s VAL 150 Ca 0.63 0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.93 1nvm s VAL 150 Cb -0.45 -3.63 -0.31 0.00 0.00 0.00 0.00 36.38 32.00 1nvm s VAL 150 CO 0.43 0.21 0.93 0.45 0.00 0.00 0.00 175.10 177.13 1nvm h HIS 151 N 8.11 0.68 -2.15 5.22 -0.00 -1.11 -1.18 115.15 124.72 1nvm h HIS 151 Ca -0.34 -0.50 -0.06 0.00 -0.00 0.00 0.00 60.37 59.48 1nvm h HIS 151 Cb 1.17 -0.03 -0.22 0.00 -0.00 0.00 0.00 27.41 28.34 1nvm h HIS 151 CO 0.74 1.47 0.05 -0.47 -0.00 0.00 0.00 177.93 179.73 1nvm s TYR 152 N -2.61 -0.72 -0.00 2.45 5.04 -1.06 -2.66 117.35 117.78 1nvm s TYR 152 Ca -0.09 1.76 -0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1nvm s TYR 152 Cb 0.06 0.25 0.01 0.00 0.35 0.00 0.00 41.96 42.62 1nvm s TYR 152 CO 0.89 -0.35 0.01 0.00 -1.34 0.00 0.00 175.55 174.76 1nvm s ALA 153 N 0.36 0.01 -0.02 3.97 0.00 -0.40 -0.42 121.76 125.27 1nvm s ALA 153 Ca -0.00 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1nvm s ALA 153 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1nvm s ALA 153 CO 0.01 -0.02 -0.08 -2.00 0.00 0.00 0.00 175.76 173.66 1nvm s GLU 154 N 0.23 0.81 0.05 0.00 2.12 0.10 -1.25 118.70 120.76 1nvm s GLU 154 Ca -0.02 -0.28 0.07 0.00 0.36 0.00 0.00 54.97 55.10 1nvm s GLU 154 Cb -0.03 -0.78 -0.03 0.00 0.26 0.00 0.00 34.13 33.56 1nvm s GLU 154 CO -0.01 0.13 -0.20 0.96 -0.54 0.00 0.00 175.26 175.60 1nvm s ILE 155 N 0.07 1.62 -0.18 -3.70 -5.25 -0.25 -0.58 121.20 112.93 1nvm s ILE 155 Ca -0.01 -1.21 0.01 0.00 -0.99 0.00 0.00 60.65 58.45 1nvm s ILE 155 Cb -0.07 -1.42 0.02 0.00 2.95 0.00 0.00 42.46 43.95 1nvm s ILE 155 CO 0.00 0.17 -0.19 -0.69 -1.79 0.00 0.00 174.94 172.44 1nvm s VAL 156 N -0.83 1.96 -0.19 8.37 1.01 -0.18 -1.13 120.40 129.41 1nvm s VAL 156 Ca 0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1nvm s VAL 156 Cb -0.09 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1nvm s VAL 156 CO 0.02 0.51 -0.03 0.00 0.00 0.00 0.00 175.10 175.60 1nvm s ALA 157 N 1.33 2.94 -0.20 5.51 0.00 0.08 -1.11 121.76 130.30 1nvm s ALA 157 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1nvm s ALA 157 Cb -0.13 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.35 1nvm s ALA 157 CO -0.12 -0.08 -0.16 -1.12 0.00 0.00 0.00 175.76 174.27 1nvm s SER 158 N 0.89 3.49 0.09 0.00 0.01 -0.48 -0.96 113.70 116.75 1nvm s SER 158 Ca -0.00 -0.67 0.07 0.00 1.31 0.00 0.00 55.95 56.66 1nvm s SER 158 Cb -0.14 -1.54 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 1nvm s SER 158 CO 0.01 -0.02 -0.17 -0.51 0.41 0.00 0.00 173.24 172.96 1nvm s ILE 159 N 1.31 1.41 0.32 1.44 2.07 -0.72 -1.60 121.20 125.43 1nvm s ILE 159 Ca 0.04 -1.43 -0.29 0.00 -1.41 0.00 0.00 60.65 57.56 1nvm s ILE 159 Cb -0.14 -1.32 -0.11 0.00 0.13 0.00 0.00 42.46 41.02 1nvm s ILE 159 CO -0.10 -0.15 1.53 -0.55 -1.91 0.00 0.00 174.94 173.76 1nvm s SER 160 N -1.83 6.40 0.30 4.50 0.15 -1.26 -1.89 113.70 120.07 1nvm s SER 160 Ca 0.02 2.95 0.02 0.00 0.70 0.00 0.00 55.95 59.64 1nvm s SER 160 Cb -0.10 -2.65 0.57 0.00 -1.71 0.00 0.00 66.02 62.13 1nvm s SER 160 CO 0.03 -0.86 1.88 0.28 1.20 0.00 0.00 173.24 175.77 1nvm h SER 161 N 4.10 0.89 -0.35 5.45 0.02 -1.59 -1.96 113.55 120.10 1nvm h SER 161 Ca -0.48 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 1nvm h SER 161 Cb 1.23 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 1nvm h SER 161 CO 0.73 0.53 0.16 0.11 -1.14 0.00 0.00 176.83 177.22 1nvm h LYS 162 N 0.99 0.57 0.00 3.45 1.57 -1.90 -2.79 116.57 118.45 1nvm h LYS 162 Ca 0.44 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1nvm h LYS 162 Cb 0.37 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1nvm h LYS 162 CO -0.20 0.47 -0.49 -1.13 -0.57 0.00 0.00 179.45 177.54 1nvm n SER 163 N -4.38 0.49 -4.68 0.86 3.41 -0.76 -4.94 113.62 103.62 1nvm n SER 163 Ca 0.03 -0.12 -0.46 0.00 -0.26 0.00 0.00 58.87 58.06 1nvm n SER 163 Cb 0.14 0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 1nvm n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nvm n ALA 164 N -1.56 1.48 -1.75 7.33 0.00 -1.06 -4.81 120.51 120.14 1nvm n ALA 164 Ca 0.05 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.50 1nvm n ALA 164 Cb 0.36 -2.44 0.04 0.00 0.00 0.00 0.00 19.45 17.41 1nvm n ALA 164 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nvm s GLY 165 N 2.00 2.85 0.33 0.00 0.00 -1.26 -4.85 107.32 106.40 1nvm s GLY 165 Ca 0.82 1.22 0.04 0.00 0.00 0.00 0.00 44.72 46.80 1nvm s GLY 165 CO 0.41 1.69 1.89 -0.56 0.00 0.00 0.00 173.10 176.53 1nvm h PRO 166 N 1.19 0.59 -0.09 2.90 0.13 -1.99 -0.04 132.00 134.69 1nvm h PRO 166 Ca -0.51 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 1nvm h PRO 166 Cb 1.30 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nvm h PRO 166 CO 0.56 0.57 0.04 0.78 -0.23 0.00 0.00 178.00 179.72 1nvm h GLY 167 N 0.83 0.15 0.97 1.56 0.00 -1.91 -0.26 103.07 104.42 1nvm h GLY 167 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1nvm h GLY 167 CO 0.00 0.08 0.20 -0.84 0.00 0.00 0.00 176.54 175.97 1nvm h THR 168 N -0.00 1.22 -0.34 4.70 2.02 -1.74 -1.18 112.91 117.59 1nvm h THR 168 Ca 0.03 -0.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 1nvm h THR 168 Cb 0.16 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1nvm h THR 168 CO -0.00 0.25 -0.05 0.03 0.37 0.00 0.00 175.52 176.12 1nvm h ARG 169 N 0.67 0.55 0.00 6.66 3.08 -0.71 -2.02 114.38 122.62 1nvm h ARG 169 Ca 0.17 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1nvm h ARG 169 Cb 0.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1nvm h ARG 169 CO -0.01 0.61 -0.17 0.00 -1.07 0.00 0.00 179.97 179.33 1nvm h ALA 170 N 1.43 0.89 -1.56 0.04 0.00 -0.77 -3.36 119.26 115.93 1nvm h ALA 170 Ca 0.10 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.54 1nvm h ALA 170 Cb 0.41 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.87 1nvm h ALA 170 CO 0.02 0.00 -0.99 -1.71 0.00 0.00 0.00 179.25 176.57 1nvm n ASN 171 N -2.33 -0.36 0.19 0.00 2.85 -0.47 -4.96 115.26 110.18 1nvm n ASN 171 Ca 0.05 -2.91 0.04 0.00 -0.11 0.00 0.00 54.58 51.65 1nvm n ASN 171 Cb 0.45 -0.08 0.38 0.00 1.24 0.00 0.00 39.78 41.76 1nvm n ASN 171 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1nvm h ILE 172 N 2.03 1.15 -0.77 -1.44 6.09 -1.53 -2.07 117.51 120.98 1nvm h ILE 172 Ca 0.03 -1.32 -0.02 0.00 -1.37 0.00 0.00 64.86 62.18 1nvm h ILE 172 Cb 0.93 1.74 -0.04 0.00 0.47 0.00 0.00 36.82 39.92 1nvm h ILE 172 CO 0.43 0.36 0.41 0.44 -3.07 0.00 0.00 178.15 176.72 1nvm h ASP 173 N 0.00 0.96 -0.34 2.19 3.32 -1.93 -2.15 116.42 118.47 1nvm h ASP 173 Ca -0.00 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 1nvm h ASP 173 Cb 0.71 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1nvm h ASP 173 CO 0.05 0.78 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.18 1nvm h GLU 174 N 1.07 0.76 0.10 3.56 4.81 -1.76 -0.98 114.58 122.15 1nvm h GLU 174 Ca 0.27 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1nvm h GLU 174 Cb 0.05 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1nvm h GLU 174 CO -0.04 0.83 -0.33 0.35 -0.73 0.00 0.00 179.01 179.09 1nvm h PHE 175 N 0.70 -0.89 -0.64 0.92 3.57 -1.25 -0.13 116.94 119.21 1nvm h PHE 175 Ca 0.12 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1nvm h PHE 175 Cb 0.55 0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1nvm h PHE 175 CO 0.03 -0.43 0.13 1.79 -2.23 0.00 0.00 178.31 177.60 1nvm h THR 176 N -0.54 1.25 -0.02 4.41 1.35 -1.16 -1.63 112.91 116.58 1nvm h THR 176 Ca 0.04 -0.97 -0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1nvm h THR 176 Cb 0.58 0.62 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1nvm h THR 176 CO -0.21 0.36 -0.00 -0.33 -0.25 0.00 0.00 175.52 175.09 1nvm h GLU 177 N 0.98 0.04 -0.30 4.72 5.08 -0.98 -1.51 114.58 122.61 1nvm h GLU 177 Ca 0.20 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 1nvm h GLU 177 Cb 0.38 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1nvm h GLU 177 CO 0.01 0.39 -0.47 1.79 -1.00 0.00 0.00 179.01 179.73 1nvm h THR 178 N -0.31 1.29 -0.49 1.13 1.35 -1.06 -2.26 112.91 112.56 1nvm h THR 178 Ca 0.01 -1.66 -0.03 0.00 -0.55 0.00 0.00 66.41 64.17 1nvm h THR 178 Cb 0.38 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 1nvm h THR 178 CO 0.00 0.54 0.17 0.74 -0.25 0.00 0.00 175.52 176.72 1nvm h THR 179 N 0.63 1.22 -0.67 6.82 2.02 -1.33 -0.83 112.91 120.77 1nvm h THR 179 Ca 0.03 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 1nvm h THR 179 Cb 1.05 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1nvm h THR 179 CO 0.10 0.27 0.13 0.77 0.37 0.00 0.00 175.52 177.16 1nvm h SER 180 N 0.66 1.04 -0.37 4.18 4.64 -1.17 -0.67 113.55 121.86 1nvm h SER 180 Ca 0.16 -0.25 -0.12 0.00 -0.47 0.00 0.00 61.79 61.11 1nvm h SER 180 Cb 0.24 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1nvm h SER 180 CO -0.01 1.02 -0.21 0.50 -0.87 0.00 0.00 176.83 177.26 1nvm h LYS 181 N 1.01 0.86 -0.05 4.77 1.63 -1.22 -2.68 116.57 120.89 1nvm h LYS 181 Ca 0.21 -0.35 -0.09 0.00 -0.85 0.00 0.00 60.65 59.56 1nvm h LYS 181 Cb 0.41 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1nvm h LYS 181 CO 0.01 0.99 -0.40 0.00 -3.45 0.00 0.00 179.45 176.59 1nvm h ALA 182 N 1.01 1.24 -0.95 5.00 0.00 -0.87 0.51 119.26 125.21 1nvm h ALA 182 Ca 0.10 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1nvm h ALA 182 Cb 0.74 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1nvm h ALA 182 CO 0.06 0.54 0.61 0.82 0.00 0.00 0.00 179.25 181.28 1nvm h ILE 183 N 0.09 1.09 0.20 0.00 2.04 -0.81 0.14 117.51 120.27 1nvm h ILE 183 Ca 0.01 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1nvm h ILE 183 Cb 0.76 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1nvm h ILE 183 CO 0.06 0.20 -0.10 -0.33 0.00 0.00 0.00 178.15 177.98 1nvm h GLU 184 N 1.12 -0.26 -0.07 2.37 5.08 -1.10 -1.99 114.58 119.73 1nvm h GLU 184 Ca 0.40 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1nvm h GLU 184 Cb 0.13 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1nvm h GLU 184 CO -0.16 0.01 0.01 0.28 -1.00 0.00 0.00 179.01 178.15 1nvm h VAL 185 N -1.01 1.21 0.10 3.13 2.07 -0.89 -1.45 116.25 119.41 1nvm h VAL 185 Ca -0.03 -0.63 -0.36 0.00 0.82 0.00 0.00 66.70 66.50 1nvm h VAL 185 Cb 0.39 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1nvm h VAL 185 CO 0.05 0.18 -2.00 -0.38 0.02 0.00 0.00 177.57 175.43 1nvm n ILE 186 N -4.90 1.73 0.23 4.57 5.41 0.46 -4.36 119.36 122.51 1nvm n ILE 186 Ca -0.07 -0.60 0.13 0.00 1.00 0.00 0.00 62.75 63.21 1nvm n ILE 186 Cb 0.16 -1.73 0.25 0.00 -0.71 0.00 0.00 39.64 37.61 1nvm n ILE 186 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1nvm h GLY 187 N 1.01 0.00 0.00 7.39 0.00 -0.96 -3.46 103.07 107.05 1nvm h GLY 187 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1nvm h GLY 187 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1nvm n GLY 188 N 0.94 0.75 3.77 4.60 0.00 -0.55 -3.52 105.19 111.17 1nvm n GLY 188 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1nvm n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm s ALA 189 N -2.42 3.10 0.28 4.61 0.00 -1.02 -4.38 121.76 121.93 1nvm s ALA 189 Ca 0.00 0.97 0.10 0.00 0.00 0.00 0.00 51.96 53.03 1nvm s ALA 189 Cb 0.00 -3.39 0.38 0.00 0.00 0.00 0.00 23.12 20.11 1nvm s ALA 189 CO 0.00 -0.58 1.63 0.00 0.00 0.00 0.00 175.76 176.80 1nvm h ALA 190 N 2.46 1.00 -3.59 0.00 0.00 -1.27 -3.38 119.26 114.49 1nvm h ALA 190 Ca -0.49 -0.54 -0.29 0.00 0.00 0.00 0.00 54.91 53.59 1nvm h ALA 190 Cb 1.24 -0.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.61 1nvm h ALA 190 CO 0.62 0.74 -0.73 0.21 0.00 0.00 0.00 179.25 180.09 1nvm s LYS 191 N -3.68 0.05 0.24 0.00 2.47 -1.09 -4.99 119.74 112.74 1nvm s LYS 191 Ca -0.02 0.10 0.11 0.00 -1.56 0.00 0.00 55.97 54.61 1nvm s LYS 191 Cb 0.13 -0.23 -0.05 0.00 -1.46 0.00 0.00 37.83 36.23 1nvm s LYS 191 CO 0.76 -0.11 -0.17 0.20 0.16 0.00 0.00 175.35 176.20 1nvm s GLY 192 N 0.72 1.78 -0.04 5.54 0.00 -1.26 -1.27 107.32 112.78 1nvm s GLY 192 Ca -0.06 -1.71 -0.06 0.00 0.00 0.00 0.00 44.72 42.89 1nvm s GLY 192 CO -0.02 -1.77 0.15 1.25 0.00 0.00 0.00 173.10 172.72 1nvm s LYS 193 N -3.18 0.28 -0.01 2.90 2.20 -0.38 -4.86 119.74 116.70 1nvm s LYS 193 Ca 0.27 0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.92 1nvm s LYS 193 Cb -0.07 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1nvm s LYS 193 CO 0.14 -0.05 -0.03 0.00 -0.36 0.00 0.00 175.35 175.05 1nvm s ALA 194 N -0.38 0.33 -0.01 3.13 0.00 -1.26 -1.10 121.76 122.48 1nvm s ALA 194 Ca -0.05 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.83 1nvm s ALA 194 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1nvm s ALA 194 CO 0.01 0.06 -0.15 0.42 0.00 0.00 0.00 175.76 176.10 1nvm s ILE 195 N 0.05 1.16 -0.03 0.00 1.01 -0.28 -4.77 121.20 118.35 1nvm s ILE 195 Ca -0.00 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1nvm s ILE 195 Cb -0.03 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1nvm s ILE 195 CO -0.00 0.31 -0.10 -0.51 0.00 0.00 0.00 174.94 174.63 1nvm s ILE 196 N -0.37 0.90 -0.03 2.92 2.07 -1.26 -0.74 121.20 124.68 1nvm s ILE 196 Ca 0.05 -0.42 0.04 0.00 -1.41 0.00 0.00 60.65 58.91 1nvm s ILE 196 Cb -0.06 -0.80 -0.00 0.00 0.13 0.00 0.00 42.46 41.73 1nvm s ILE 196 CO -0.00 0.28 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.54 1nvm s ILE 197 N 0.21 1.10 -0.13 2.00 -1.09 -0.13 -4.95 121.20 118.21 1nvm s ILE 197 Ca -0.04 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 57.81 1nvm s ILE 197 Cb -0.10 -0.95 -0.02 0.00 -1.58 0.00 0.00 42.46 39.81 1nvm s ILE 197 CO 0.01 0.32 -0.07 -0.04 -1.23 0.00 0.00 174.94 173.93 1nvm s MET 198 N 0.00 3.42 -0.10 2.79 -1.94 -1.26 -1.76 119.30 120.45 1nvm s MET 198 Ca -0.01 -0.58 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 1nvm s MET 198 Cb -0.09 -2.77 0.01 0.00 2.01 0.00 0.00 34.83 34.00 1nvm s MET 198 CO 0.01 0.31 -0.17 1.21 -0.01 0.00 0.00 175.02 176.37 1nvm s ASN 199 N 0.15 2.51 -0.06 3.03 3.04 -0.79 -4.83 114.94 118.00 1nvm s ASN 199 Ca -0.03 -0.45 0.08 0.00 0.04 0.00 0.00 52.86 52.50 1nvm s ASN 199 Cb -0.14 -1.14 0.34 0.00 -1.54 0.00 0.00 41.25 38.77 1nvm s ASN 199 CO 0.04 0.06 1.16 -0.81 -3.04 0.00 0.00 177.10 174.50 1nvm n PRO 200 N 3.96 2.33 -1.69 0.43 -0.04 -1.26 -1.52 135.00 137.21 1nvm n PRO 200 Ca -0.20 -1.35 -0.40 0.00 -0.04 0.00 0.00 63.50 61.51 1nvm n PRO 200 Cb 0.52 -1.58 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1nvm n PRO 200 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nvm n ALA 201 N 0.39 1.11 -2.80 0.55 0.00 -1.26 -4.91 120.51 113.58 1nvm n ALA 201 Ca 0.12 0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.52 1nvm n ALA 201 Cb 0.50 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 1nvm n ALA 201 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nvm s GLU 202 N -2.40 2.88 0.26 0.00 0.41 -1.26 -3.10 118.70 115.49 1nvm s GLU 202 Ca 0.65 -0.98 -0.21 0.00 -0.41 0.00 0.00 54.97 54.02 1nvm s GLU 202 Cb -0.48 -2.59 -0.14 0.00 -1.78 0.00 0.00 34.13 29.14 1nvm s GLU 202 CO 0.55 0.44 0.27 -0.35 -0.49 0.00 0.00 175.26 175.68 1nvm n PRO 203 N -0.76 0.00 -1.84 0.39 -0.04 -1.26 -5.08 135.00 126.41 1nvm n PRO 203 Ca -0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.99 1nvm n PRO 203 Cb 0.56 -0.86 0.02 0.00 -0.04 0.00 0.00 33.50 33.18 1nvm n PRO 203 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1nvm s PRO 204 N -0.86 3.49 0.19 0.54 0.05 -1.18 -5.01 135.00 132.22 1nvm s PRO 204 Ca 0.53 2.29 0.04 0.00 0.05 0.00 0.00 61.00 63.91 1nvm s PRO 204 Cb -0.68 -2.49 -0.03 0.00 0.05 0.00 0.00 34.50 31.34 1nvm s PRO 204 CO 0.51 -0.93 0.29 -0.51 0.05 0.00 0.00 177.00 176.41 1nvm s LEU 205 N -3.04 4.25 0.69 -3.56 2.01 -1.26 -4.91 118.68 112.86 1nvm s LEU 205 Ca 0.65 0.09 -0.16 0.00 0.01 0.00 0.00 54.13 54.71 1nvm s LEU 205 Cb -0.41 -2.82 0.01 0.00 0.01 0.00 0.00 46.19 42.99 1nvm s LEU 205 CO 0.51 0.01 1.23 0.27 1.01 0.00 0.00 176.35 179.38 1nvm s ILE 206 N -1.84 2.30 0.38 -0.59 -4.36 -1.26 -4.42 121.20 111.41 1nvm s ILE 206 Ca 0.34 0.16 -0.27 0.00 -0.26 0.00 0.00 60.65 60.63 1nvm s ILE 206 Cb -0.10 -2.87 -0.11 0.00 1.25 0.00 0.00 42.46 40.63 1nvm s ILE 206 CO 0.28 -0.06 1.27 0.80 0.24 0.00 0.00 174.94 177.47 1nvm n MET 207 N -2.33 2.02 -4.64 0.37 0.00 -1.23 -4.81 117.12 106.52 1nvm n MET 207 Ca 0.14 0.71 -0.29 0.00 -0.00 0.00 0.00 57.70 58.27 1nvm n MET 207 Cb 0.50 -2.35 -0.14 0.00 0.00 0.00 0.00 33.22 31.23 1nvm n MET 207 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1nvm s ARG 208 N -2.04 1.56 -0.03 2.12 1.81 -0.63 -0.88 118.95 120.87 1nvm s ARG 208 Ca 0.58 -1.19 -0.00 0.00 -1.72 0.00 0.00 55.73 53.40 1nvm s ARG 208 Cb -0.54 -1.86 0.03 0.00 -0.45 0.00 0.00 34.95 32.13 1nvm s ARG 208 CO 0.60 0.46 0.02 -0.51 -0.68 0.00 0.00 175.30 175.20 1nvm s ASP 209 N -1.60 0.43 -0.13 0.23 1.01 -0.91 -1.38 116.67 114.32 1nvm s ASP 209 Ca 0.12 0.01 -0.00 0.00 0.71 0.00 0.00 52.55 53.39 1nvm s ASP 209 Cb -0.10 -0.16 -0.02 0.00 1.01 0.00 0.00 42.92 43.66 1nvm s ASP 209 CO 0.04 -0.14 -0.12 -0.89 0.21 0.00 0.00 175.17 174.27 1nvm s THR 210 N 1.24 3.17 -0.13 -1.27 2.01 -0.27 -0.63 115.64 119.77 1nvm s THR 210 Ca -0.07 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1nvm s THR 210 Cb -0.13 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.06 1nvm s THR 210 CO -0.03 0.52 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.55 1nvm s VAL 211 N 0.30 1.79 -0.17 3.82 1.01 0.18 -1.01 120.40 126.32 1nvm s VAL 211 Ca -0.09 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1nvm s VAL 211 Cb -0.15 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1nvm s VAL 211 CO 0.05 0.50 -0.08 -0.31 0.00 0.00 0.00 175.10 175.26 1nvm s TYR 212 N 0.95 2.90 -0.11 5.22 2.02 0.26 -0.21 117.35 128.38 1nvm s TYR 212 Ca -0.06 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 55.95 1nvm s TYR 212 Cb -0.15 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.47 1nvm s TYR 212 CO -0.03 -0.31 -0.14 0.08 -1.57 0.00 0.00 175.55 173.58 1nvm s VAL 213 N 0.78 1.42 -0.38 0.71 1.01 0.24 -0.73 120.40 123.44 1nvm s VAL 213 Ca -0.03 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1nvm s VAL 213 Cb -0.15 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1nvm s VAL 213 CO 0.01 0.43 0.25 -0.22 0.00 0.00 0.00 175.10 175.57 1nvm s LEU 214 N 1.11 4.84 0.40 3.92 2.96 0.44 -0.41 118.68 131.95 1nvm s LEU 214 Ca -0.04 -0.88 0.07 0.00 -0.22 0.00 0.00 54.13 53.06 1nvm s LEU 214 Cb -0.14 -2.09 -0.08 0.00 0.50 0.00 0.00 46.19 44.38 1nvm s LEU 214 CO -0.03 -0.39 0.01 -0.94 -1.32 0.00 0.00 176.35 173.68 1nvm s SER 215 N 1.63 3.77 1.10 3.68 1.04 -0.04 -0.47 113.70 124.41 1nvm s SER 215 Ca 0.04 -1.36 -0.13 0.00 0.48 0.00 0.00 55.95 54.98 1nvm s SER 215 Cb -0.19 -0.38 0.25 0.00 0.10 0.00 0.00 66.02 65.80 1nvm s SER 215 CO 0.08 -0.45 1.05 0.00 0.98 0.00 0.00 173.24 174.90 1nvm s ALA 216 N -2.75 0.06 0.42 5.32 0.00 0.20 -0.55 121.76 124.46 1nvm s ALA 216 Ca 0.35 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.88 1nvm s ALA 216 Cb 0.10 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 1nvm s ALA 216 CO 0.18 -3.48 1.20 0.00 0.00 0.00 0.00 175.76 173.66 1nvm n ALA 217 N -4.65 0.96 -3.44 0.00 0.00 -1.26 -4.05 120.51 108.07 1nvm n ALA 217 Ca 0.04 0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 1nvm n ALA 217 Cb 0.55 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 1nvm n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nvm s ALA 218 N -1.21 -1.64 0.06 0.00 0.00 -1.26 -4.94 121.76 112.78 1nvm s ALA 218 Ca 0.61 0.59 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 1nvm s ALA 218 Cb -0.53 0.79 -0.07 0.00 0.00 0.00 0.00 23.12 23.31 1nvm s ALA 218 CO 0.58 -0.74 1.35 0.34 0.00 0.00 0.00 175.76 177.28 1nvm s ASP 219 N -2.64 6.89 0.19 0.00 -1.08 -1.26 -4.95 116.67 113.83 1nvm s ASP 219 Ca 0.01 2.18 -0.09 0.00 -0.52 0.00 0.00 52.55 54.13 1nvm s ASP 219 Cb -0.01 -2.58 0.11 0.00 -1.46 0.00 0.00 42.92 38.98 1nvm s ASP 219 CO -0.11 -0.63 1.70 1.56 0.52 0.00 0.00 175.17 178.21 1nvm h GLN 220 N 7.13 1.13 -0.81 4.34 4.20 -2.00 -2.57 115.11 126.51 1nvm h GLN 220 Ca -0.41 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 57.99 1nvm h GLN 220 Cb 1.20 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 1nvm h GLN 220 CO 0.86 1.00 0.40 0.00 -0.67 0.00 0.00 178.83 180.42 1nvm h ALA 221 N 1.07 1.16 -0.63 3.87 0.00 -1.99 -0.07 119.26 122.68 1nvm h ALA 221 Ca 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1nvm h ALA 221 Cb 0.40 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1nvm h ALA 221 CO 0.01 0.64 0.26 0.00 0.00 0.00 0.00 179.25 180.16 1nvm h ALA 222 N 1.27 0.81 -0.26 0.00 0.00 -1.93 0.65 119.26 119.80 1nvm h ALA 222 Ca 0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1nvm h ALA 222 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1nvm h ALA 222 CO -0.04 0.42 -0.07 0.28 0.00 0.00 0.00 179.25 179.85 1nvm h VAL 223 N 0.88 1.28 -0.71 0.00 2.07 -1.00 -1.42 116.25 117.35 1nvm h VAL 223 Ca 0.21 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1nvm h VAL 223 Cb 0.19 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1nvm h VAL 223 CO -0.02 0.34 0.33 0.00 0.02 0.00 0.00 177.57 178.25 1nvm h ALA 224 N 0.77 1.25 -0.39 1.67 0.00 -0.89 0.57 119.26 122.23 1nvm h ALA 224 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1nvm h ALA 224 Cb 0.54 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1nvm h ALA 224 CO 0.03 0.58 -0.10 0.00 0.00 0.00 0.00 179.25 179.75 1nvm h ALA 225 N 1.35 1.10 -0.36 0.00 0.00 -0.73 0.19 119.26 120.82 1nvm h ALA 225 Ca 0.25 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1nvm h ALA 225 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1nvm h ALA 225 CO -0.03 0.56 -0.07 1.03 0.00 0.00 0.00 179.25 180.74 1nvm h SER 226 N 0.62 0.67 -0.52 0.00 0.87 -0.57 -1.45 113.55 113.18 1nvm h SER 226 Ca 0.11 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1nvm h SER 226 Cb 0.54 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1nvm h SER 226 CO 0.03 0.87 0.31 0.58 -0.53 0.00 0.00 176.83 178.10 1nvm h VAL 227 N 0.47 1.16 -0.74 2.23 2.07 -0.65 -1.49 116.25 119.30 1nvm h VAL 227 Ca 0.09 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1nvm h VAL 227 Cb 0.56 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1nvm h VAL 227 CO 0.03 0.16 0.33 0.00 0.02 0.00 0.00 177.57 178.11 1nvm h ALA 228 N 1.15 0.96 -0.69 1.67 0.00 -0.80 -0.52 119.26 121.03 1nvm h ALA 228 Ca 0.19 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1nvm h ALA 228 Cb -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1nvm h ALA 228 CO -0.03 0.55 0.20 1.49 0.00 0.00 0.00 179.25 181.46 1nvm h GLU 229 N 1.05 1.07 -0.36 0.00 4.22 -1.05 -1.67 114.58 117.84 1nvm h GLU 229 Ca 0.25 -0.24 -0.10 0.00 0.08 0.00 0.00 59.36 59.35 1nvm h GLU 229 Cb 0.17 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1nvm h GLU 229 CO -0.03 0.93 -0.20 1.98 -2.18 0.00 0.00 179.01 179.52 1nvm h MET 230 N 1.01 0.69 -0.45 1.92 4.05 -0.89 -0.96 114.93 120.30 1nvm h MET 230 Ca 0.22 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1nvm h MET 230 Cb 0.32 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1nvm h MET 230 CO -0.00 0.84 0.25 0.28 0.23 0.00 0.00 176.91 178.51 1nvm h VAL 231 N 0.61 1.15 -0.73 -5.77 2.07 -0.89 0.47 116.25 113.17 1nvm h VAL 231 Ca 0.09 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1nvm h VAL 231 Cb 0.67 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1nvm h VAL 231 CO 0.05 0.16 0.34 -0.61 0.02 0.00 0.00 177.57 177.53 1nvm h GLN 232 N 0.59 1.04 -0.51 1.57 4.15 -1.03 -0.93 115.11 120.00 1nvm h GLN 232 Ca 0.16 -0.15 -0.11 0.00 0.77 0.00 0.00 58.65 59.32 1nvm h GLN 232 Cb 0.03 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1nvm h GLN 232 CO -0.03 0.81 -0.12 0.00 -1.93 0.00 0.00 178.83 177.56 1nvm h ALA 233 N 1.34 0.83 -0.22 3.38 0.00 -0.56 -2.75 119.26 121.29 1nvm h ALA 233 Ca 0.25 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1nvm h ALA 233 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nvm h ALA 233 CO -0.03 0.65 -0.32 0.28 0.00 0.00 0.00 179.25 179.83 1nvm h VAL 234 N 0.84 1.28 0.00 0.00 2.07 -0.50 -2.55 116.25 117.40 1nvm h VAL 234 Ca 0.13 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1nvm h VAL 234 Cb 0.66 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1nvm h VAL 234 CO 0.05 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.07 1nvm n GLN 235 N -4.08 0.15 0.22 1.57 6.02 -0.39 -0.67 117.38 120.20 1nvm n GLN 235 Ca -0.01 0.62 0.06 0.00 -0.01 0.00 0.00 57.00 57.66 1nvm n GLN 235 Cb 0.45 -1.97 0.51 0.00 1.02 0.00 0.00 30.24 30.25 1nvm n GLN 235 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nvm h ALA 236 N 2.02 1.62 0.00 -1.58 0.00 -1.43 -3.21 119.26 116.69 1nvm h ALA 236 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nvm h ALA 236 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nvm h ALA 236 CO 0.00 0.24 -0.34 2.48 0.00 0.00 0.00 179.25 181.63 1nvm n TYR 237 N -4.23 0.00 -3.73 0.00 0.18 -0.28 -4.84 117.16 104.26 1nvm n TYR 237 Ca -0.02 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.48 1nvm n TYR 237 Cb 0.26 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.10 1nvm n TYR 237 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1nvm s VAL 238 N -1.25 1.93 0.57 -3.48 1.01 0.15 -4.78 120.40 114.55 1nvm s VAL 238 Ca 0.00 -3.49 0.26 0.00 0.00 0.00 0.00 61.98 58.75 1nvm s VAL 238 Cb 0.00 -2.29 0.34 0.00 0.00 0.00 0.00 36.38 34.43 1nvm s VAL 238 CO 0.00 -1.04 2.14 -0.65 0.00 0.00 0.00 175.10 175.55 1nvm h PRO 239 N 5.75 0.00 -0.25 2.72 0.11 -1.81 -1.98 132.00 136.54 1nvm h PRO 239 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1nvm h PRO 239 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1nvm h PRO 239 CO 0.58 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.78 1nvm n GLY 240 N -1.44 0.44 3.63 -0.55 0.00 -1.25 -4.85 105.19 101.16 1nvm n GLY 240 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1nvm n GLY 240 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nvm s TYR 241 N -1.67 3.24 0.18 1.61 6.14 -0.74 -1.08 117.35 125.02 1nvm s TYR 241 Ca 0.28 0.94 -0.16 0.00 0.64 0.00 0.00 57.07 58.77 1nvm s TYR 241 Cb 0.15 -3.15 0.03 0.00 0.42 0.00 0.00 41.96 39.40 1nvm s TYR 241 CO 0.22 -0.50 0.47 -0.98 0.64 0.00 0.00 175.55 175.40 1nvm s ARG 242 N 2.91 1.29 0.24 4.97 1.70 -0.64 -4.76 118.95 124.67 1nvm s ARG 242 Ca 0.33 -0.87 -0.30 0.00 -0.47 0.00 0.00 55.73 54.43 1nvm s ARG 242 Cb -0.14 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 1nvm s ARG 242 CO 0.11 -0.53 1.18 -0.51 -1.08 0.00 0.00 175.30 174.46 1nvm s LEU 243 N -2.87 4.49 -0.02 -1.89 1.43 -1.26 -1.63 118.68 116.92 1nvm s LEU 243 Ca 0.09 2.31 0.12 0.00 -1.03 0.00 0.00 54.13 55.62 1nvm s LEU 243 Cb 0.00 -3.62 -0.22 0.00 0.03 0.00 0.00 46.19 42.38 1nvm s LEU 243 CO -0.04 -0.31 0.74 0.50 0.23 0.00 0.00 176.35 177.47 1nvm h LYS 244 N 4.47 0.00 -4.97 1.70 1.63 -1.00 -3.45 116.57 114.95 1nvm h LYS 244 Ca -0.46 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.02 1nvm h LYS 244 Cb 1.21 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.70 1nvm h LYS 244 CO 0.70 0.53 -0.68 -0.65 -3.45 0.00 0.00 179.45 175.90 1nvm s GLN 245 N -2.63 1.14 0.75 1.90 -1.52 -1.19 -5.06 119.66 113.04 1nvm s GLN 245 Ca -0.04 -1.53 -0.13 0.00 -1.95 0.00 0.00 55.36 51.71 1nvm s GLN 245 Cb 0.08 -0.50 0.05 0.00 -0.22 0.00 0.00 33.01 32.42 1nvm s GLN 245 CO 0.82 -0.04 1.14 -0.65 -0.25 0.00 0.00 175.29 176.32 1nvm s GLN 246 N -3.83 2.18 0.34 2.91 -1.52 -1.26 -4.60 119.66 113.88 1nvm s GLN 246 Ca 0.22 1.49 -0.29 0.00 -1.95 0.00 0.00 55.36 54.83 1nvm s GLN 246 Cb 0.05 -1.87 -0.11 0.00 -0.22 0.00 0.00 33.01 30.86 1nvm s GLN 246 CO 0.03 -1.75 1.47 0.08 -0.25 0.00 0.00 175.29 174.88 1nvm s VAL 247 N -2.40 2.22 -0.08 1.09 1.01 -1.26 -4.78 120.40 116.21 1nvm s VAL 247 Ca 0.68 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1nvm s VAL 247 Cb -0.23 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1nvm s VAL 247 CO 0.48 0.05 -0.04 -1.10 0.00 0.00 0.00 175.10 174.49 1nvm s GLN 248 N -1.56 2.89 0.07 2.72 -1.52 -0.33 -4.95 119.66 116.98 1nvm s GLN 248 Ca 0.55 -0.48 0.07 0.00 -1.95 0.00 0.00 55.36 53.54 1nvm s GLN 248 Cb -0.45 -2.69 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 1nvm s GLN 248 CO 0.57 0.66 -0.18 -0.06 -0.25 0.00 0.00 175.29 176.03 1nvm s PHE 249 N -0.78 1.53 -0.06 0.91 0.08 -1.26 -0.16 117.98 118.23 1nvm s PHE 249 Ca 0.12 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 1nvm s PHE 249 Cb -0.11 -0.87 0.03 0.00 -0.57 0.00 0.00 43.02 41.49 1nvm s PHE 249 CO 0.02 0.11 0.02 -0.51 -0.10 0.00 0.00 175.22 174.76 1nvm s ASP 250 N -1.57 1.42 0.06 1.36 1.01 -0.40 -4.99 116.67 113.57 1nvm s ASP 250 Ca 0.03 -0.03 -0.28 0.00 0.71 0.00 0.00 52.55 52.98 1nvm s ASP 250 Cb -0.09 -0.34 -0.05 0.00 1.01 0.00 0.00 42.92 43.45 1nvm s ASP 250 CO 0.03 -0.21 0.90 -0.69 0.21 0.00 0.00 175.17 175.41 1nvm s VAL 251 N 2.02 4.67 -0.38 -1.27 1.01 -1.26 -0.18 120.40 125.00 1nvm s VAL 251 Ca 0.05 1.92 -0.10 0.00 0.00 0.00 0.00 61.98 63.86 1nvm s VAL 251 Cb -0.12 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.05 1nvm s VAL 251 CO -0.04 0.29 0.21 -0.63 0.00 0.00 0.00 175.10 174.92 1nvm s ILE 252 N 0.24 4.30 0.54 2.22 1.01 -0.44 -4.92 121.20 124.16 1nvm s ILE 252 Ca 0.45 -1.10 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 1nvm s ILE 252 Cb -0.22 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 1nvm s ILE 252 CO 0.27 -0.32 1.11 -2.16 0.00 0.00 0.00 174.94 173.84 1nvm s PRO 253 N 1.48 3.39 0.59 2.79 0.04 -1.26 -0.85 135.00 141.18 1nvm s PRO 253 Ca 0.02 1.54 0.30 0.00 0.04 0.00 0.00 61.00 62.90 1nvm s PRO 253 Cb -0.21 -2.02 1.82 0.00 0.04 0.00 0.00 34.50 34.14 1nvm s PRO 253 CO 0.04 -0.80 2.26 1.49 0.04 0.00 0.00 177.00 180.03 1nvm h GLU 254 N 1.16 0.00 0.00 4.56 4.81 -1.95 -1.70 114.58 121.47 1nvm h GLU 254 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1nvm h GLU 254 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1nvm h GLU 254 CO 0.57 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.51 1nvm h SER 255 N 0.00 0.00 -1.41 1.04 4.64 -2.00 -3.37 113.55 112.45 1nvm h SER 255 Ca -0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 1nvm h SER 255 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 1nvm h SER 255 CO 0.00 0.00 -0.89 0.00 -0.87 0.00 0.00 176.83 175.07 1nvm n ALA 256 N -1.87 1.17 -1.37 5.18 0.00 -0.64 -5.14 120.51 117.84 1nvm n ALA 256 Ca 0.04 -2.70 -0.31 0.00 0.00 0.00 0.00 53.44 50.47 1nvm n ALA 256 Cb 0.38 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.93 1nvm n ALA 256 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nvm s PRO 257 N -0.45 2.33 -0.11 0.00 0.04 -1.20 -4.35 135.00 131.27 1nvm s PRO 257 Ca 0.34 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.18 1nvm s PRO 257 Cb 0.17 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 1nvm s PRO 257 CO -0.16 -1.55 0.61 -1.17 0.04 0.00 0.00 177.00 174.78 1nvm s LEU 258 N -5.83 4.27 -0.30 -3.56 2.96 0.37 -4.82 118.68 111.77 1nvm s LEU 258 Ca 0.60 1.00 -0.18 0.00 -0.22 0.00 0.00 54.13 55.34 1nvm s LEU 258 Cb -0.16 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 1nvm s LEU 258 CO 0.56 -0.10 0.51 0.21 -1.32 0.00 0.00 176.35 176.21 1nvm s ASN 259 N 0.81 6.38 -0.33 3.68 3.84 -1.26 -1.06 114.94 127.00 1nvm s ASN 259 Ca 0.32 0.29 -0.05 0.00 0.21 0.00 0.00 52.86 53.63 1nvm s ASN 259 Cb -0.16 -2.27 0.04 0.00 -0.55 0.00 0.00 41.25 38.30 1nvm s ASN 259 CO 0.14 -0.37 0.07 -0.63 -2.79 0.00 0.00 177.10 173.53 1nvm s ILE 260 N 2.35 3.54 -0.16 -5.21 1.01 0.15 -5.02 121.20 117.87 1nvm s ILE 260 Ca 0.20 -1.20 -0.34 0.00 0.00 0.00 0.00 60.65 59.32 1nvm s ILE 260 Cb -0.15 -3.01 -0.11 0.00 0.01 0.00 0.00 42.46 39.20 1nvm s ILE 260 CO 0.11 -0.15 1.98 -0.81 0.00 0.00 0.00 174.94 176.07 1nvm n PRO 261 N 4.76 1.92 -0.56 2.79 -0.04 -1.26 -1.20 135.00 141.40 1nvm n PRO 261 Ca -0.13 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1nvm n PRO 261 Cb 0.44 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1nvm n PRO 261 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nvm n GLY 262 N 4.96 1.54 0.45 0.55 0.00 -1.26 -4.81 105.19 106.62 1nvm n GLY 262 Ca 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 1nvm n GLY 262 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nvm n LEU 263 N 0.00 1.32 0.00 0.99 7.94 -0.34 -5.14 117.00 121.77 1nvm n LEU 263 Ca 0.00 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 1nvm n LEU 263 Cb 0.00 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.42 1nvm n LEU 263 CO 0.00 0.20 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 1nvm n GLY 264 N 1.95 -2.33 3.13 -3.96 0.00 -0.71 -5.03 105.19 98.25 1nvm n GLY 264 Ca -0.30 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 1nvm n GLY 264 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvm s ARG 265 N -1.92 2.46 0.15 1.61 0.52 -1.26 -0.67 118.95 119.84 1nvm s ARG 265 Ca 0.00 -1.22 0.09 0.00 -0.52 0.00 0.00 55.73 54.08 1nvm s ARG 265 Cb 0.00 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 1nvm s ARG 265 CO 0.00 -0.53 -0.17 -0.06 0.02 0.00 0.00 175.30 174.55 1nvm s PHE 266 N 1.21 2.51 0.28 -0.53 0.08 -0.22 -4.87 117.98 116.43 1nvm s PHE 266 Ca -0.05 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 56.75 1nvm s PHE 266 Cb -0.19 -1.29 -0.06 0.00 -0.57 0.00 0.00 43.02 40.92 1nvm s PHE 266 CO -0.04 0.44 0.05 -1.54 -0.10 0.00 0.00 175.22 174.02 1nvm s SER 267 N -2.41 1.95 0.00 1.36 1.04 -1.26 -0.48 113.70 113.90 1nvm s SER 267 Ca 0.20 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1nvm s SER 267 Cb -0.10 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1nvm s SER 267 CO 0.11 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1nvm n GLY 268 N -0.56 0.61 2.90 7.32 0.00 -0.03 -4.53 105.19 110.89 1nvm n GLY 268 Ca -0.02 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 1nvm n GLY 268 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nvm s LEU 269 N 0.00 1.48 -0.22 0.99 2.96 0.29 -1.33 118.68 122.86 1nvm s LEU 269 Ca 0.00 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.70 1nvm s LEU 269 Cb 0.00 -0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.26 1nvm s LEU 269 CO 0.00 -0.03 0.15 -0.75 -1.32 0.00 0.00 176.35 174.40 1nvm s LYS 270 N 0.65 4.14 -0.12 1.98 2.20 0.74 -0.86 119.74 128.48 1nvm s LYS 270 Ca -0.08 -0.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 1nvm s LYS 270 Cb -0.11 -3.47 -0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1nvm s LYS 270 CO -0.00 0.20 -0.20 0.99 -0.36 0.00 0.00 175.35 175.98 1nvm s THR 271 N 0.66 2.41 -0.13 3.43 2.01 0.45 -1.27 115.64 123.20 1nvm s THR 271 Ca 0.08 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1nvm s THR 271 Cb -0.12 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.43 1nvm s THR 271 CO 0.01 0.54 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.82 1nvm s SER 272 N 0.47 3.12 -0.15 3.53 0.01 0.77 -0.60 113.70 120.85 1nvm s SER 272 Ca -0.14 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.55 1nvm s SER 272 Cb -0.17 -1.44 0.02 0.00 0.21 0.00 0.00 66.02 64.64 1nvm s SER 272 CO 0.06 0.10 -0.19 -0.69 0.41 0.00 0.00 173.24 172.92 1nvm s VAL 273 N 0.72 1.89 -0.42 3.43 1.01 0.71 -1.18 120.40 126.55 1nvm s VAL 273 Ca -0.09 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1nvm s VAL 273 Cb -0.16 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.58 1nvm s VAL 273 CO 0.00 0.51 0.28 -0.36 0.00 0.00 0.00 175.10 175.54 1nvm s PHE 274 N 1.08 3.29 0.17 5.22 0.40 -1.26 -0.64 117.98 126.24 1nvm s PHE 274 Ca -0.02 -1.23 0.04 0.00 -0.60 0.00 0.00 56.93 55.13 1nvm s PHE 274 Cb -0.14 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.46 1nvm s PHE 274 CO -0.06 -0.79 0.22 -0.51 0.70 0.00 0.00 175.22 174.78 1nvm s LEU 275 N 1.51 4.07 -0.03 -0.37 1.43 0.20 -0.38 118.68 125.12 1nvm s LEU 275 Ca 0.03 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 1nvm s LEU 275 Cb -0.22 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.35 1nvm s LEU 275 CO 0.04 0.04 -0.09 -1.83 0.23 0.00 0.00 176.35 174.75 1nvm s GLU 276 N -3.28 1.02 -0.35 1.70 -1.05 -0.65 -2.14 118.70 113.95 1nvm s GLU 276 Ca 0.33 -0.30 0.02 0.00 -0.15 0.00 0.00 54.97 54.86 1nvm s GLU 276 Cb -0.10 -0.94 0.11 0.00 -0.44 0.00 0.00 34.13 32.75 1nvm s GLU 276 CO 0.26 0.09 0.11 0.08 0.95 0.00 0.00 175.26 176.75 1nvm s VAL 277 N 0.28 1.55 0.05 1.83 1.01 -0.06 -1.62 120.40 123.44 1nvm s VAL 277 Ca -0.05 -2.00 -0.26 0.00 0.00 0.00 0.00 61.98 59.68 1nvm s VAL 277 Cb -0.10 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1nvm s VAL 277 CO 0.01 -0.68 0.80 -0.70 0.00 0.00 0.00 175.10 174.52 1nvm s GLU 278 N 1.09 4.52 0.62 2.72 2.12 -0.24 -3.47 118.70 126.07 1nvm s GLU 278 Ca 0.12 1.12 -0.13 0.00 0.36 0.00 0.00 54.97 56.44 1nvm s GLU 278 Cb -0.19 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 1nvm s GLU 278 CO -0.14 0.25 1.04 0.20 -0.54 0.00 0.00 175.26 176.07 1nvm s GLY 279 N 0.02 1.82 0.00 -1.50 0.00 0.01 -3.88 107.32 103.79 1nvm s GLY 279 Ca 0.40 0.11 0.22 0.00 0.00 0.00 0.00 44.72 45.45 1nvm s GLY 279 CO 0.24 0.40 1.73 0.00 0.00 0.00 0.00 173.10 175.47 1nvm n ALA 280 N -2.54 2.10 -3.51 3.20 0.00 -1.26 -4.58 120.51 113.93 1nvm n ALA 280 Ca 0.07 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 1nvm n ALA 280 Cb 0.54 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.70 1nvm n ALA 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nvm n ALA 281 N -1.37 -2.03 -0.06 0.00 0.00 -1.25 -4.95 120.51 110.84 1nvm n ALA 281 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1nvm n ALA 281 Cb 0.21 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.28 1nvm n ALA 281 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nvm h HIS 282 N -1.87 0.00 0.00 0.00 3.86 -1.93 -3.44 115.15 111.77 1nvm h HIS 282 Ca -0.60 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.61 1nvm h HIS 282 Cb 1.34 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.81 1nvm h HIS 282 CO 0.44 0.18 -1.01 0.98 0.86 0.00 0.00 177.93 179.39 1nvm n TYR 283 N -4.70 0.00 -3.70 2.45 9.36 -1.26 -5.04 117.16 114.27 1nvm n TYR 283 Ca -0.05 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.89 1nvm n TYR 283 Cb 0.16 -0.01 -0.03 0.00 -0.63 0.00 0.00 39.34 38.83 1nvm n TYR 283 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1nvm s LEU 284 N -4.04 4.24 0.78 2.98 1.43 -1.26 -4.99 118.68 117.82 1nvm s LEU 284 Ca -0.00 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 1nvm s LEU 284 Cb 0.00 -3.18 0.07 0.00 0.03 0.00 0.00 46.19 43.11 1nvm s LEU 284 CO 0.00 -0.02 1.12 -2.16 0.23 0.00 0.00 176.35 175.53 1nvm s PRO 285 N -3.20 2.02 0.51 1.29 0.05 -1.26 -3.89 135.00 130.52 1nvm s PRO 285 Ca 0.39 1.39 0.23 0.00 0.05 0.00 0.00 61.00 63.05 1nvm s PRO 285 Cb -0.11 -1.85 1.38 0.00 0.05 0.00 0.00 34.50 33.96 1nvm s PRO 285 CO 0.28 -1.85 2.09 0.00 0.05 0.00 0.00 177.00 177.57 1nvm h ALA 286 N -0.99 1.51 0.00 8.56 0.00 -1.94 -1.20 119.26 125.20 1nvm h ALA 286 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1nvm h ALA 286 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nvm h ALA 286 CO 0.49 0.13 0.00 2.48 0.00 0.00 0.00 179.25 182.35 1nvm n TYR 287 N -3.96 0.00 -1.40 0.00 0.18 -1.26 -0.81 117.16 109.91 1nvm n TYR 287 Ca -0.02 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.47 1nvm n TYR 287 Cb 0.20 -0.20 0.02 0.00 -0.38 0.00 0.00 39.34 38.97 1nvm n TYR 287 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1nvm n ALA 288 N -1.20 6.12 0.28 -3.48 0.00 -0.45 -4.17 120.51 117.60 1nvm n ALA 288 Ca 0.15 -3.04 0.12 0.00 0.00 0.00 0.00 53.44 50.68 1nvm n ALA 288 Cb 0.18 -1.84 0.79 0.00 0.00 0.00 0.00 19.45 18.57 1nvm n ALA 288 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nvm h GLY 289 N 2.96 0.00 1.68 0.00 0.00 -1.76 -0.51 103.07 105.44 1nvm h GLY 289 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 1nvm h GLY 289 CO 1.13 0.00 0.10 3.45 0.00 0.00 0.00 176.54 181.22 1nvm h ASN 290 N 0.00 0.38 0.15 0.19 -1.07 -1.87 0.11 115.58 113.47 1nvm h ASN 290 Ca -0.00 -0.04 -0.36 0.00 0.07 0.00 0.00 56.30 55.97 1nvm h ASN 290 Cb 0.13 -0.10 -0.03 0.00 -2.07 0.00 0.00 38.32 36.26 1nvm h ASN 290 CO 0.01 0.37 -2.02 0.18 0.07 0.00 0.00 177.43 176.04 1nvm n LEU 291 N -4.39 2.45 -0.08 6.14 4.77 -0.39 -4.15 117.00 121.34 1nvm n LEU 291 Ca 0.01 0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 1nvm n LEU 291 Cb 0.15 -0.94 0.22 0.00 -2.33 0.00 0.00 43.42 40.51 1nvm n LEU 291 CO 0.37 0.81 0.94 -0.78 -1.33 0.00 0.00 177.39 177.40 1nvm h ASP 292 N 0.06 0.68 0.20 -1.43 3.58 -0.99 -2.34 116.42 116.18 1nvm h ASP 292 Ca -0.43 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 56.85 1nvm h ASP 292 Cb 2.02 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.89 1nvm h ASP 292 CO 0.07 0.71 -0.21 -0.29 -2.88 0.00 0.00 179.24 176.64 1nvm h ILE 293 N 0.69 1.16 -0.21 2.25 2.10 -0.96 -1.44 117.51 121.11 1nvm h ILE 293 Ca 0.15 -0.76 -0.12 0.00 1.08 0.00 0.00 64.86 65.21 1nvm h ILE 293 Cb 0.34 1.39 -0.00 0.00 -1.09 0.00 0.00 36.82 37.45 1nvm h ILE 293 CO 0.01 0.22 -0.34 -0.03 -1.08 0.00 0.00 178.15 176.92 1nvm h MET 294 N 0.03 0.60 -0.13 2.19 4.05 -1.59 -0.46 114.93 119.62 1nvm h MET 294 Ca 0.00 -0.37 -0.14 0.00 -0.28 0.00 0.00 59.70 58.92 1nvm h MET 294 Cb 0.39 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1nvm h MET 294 CO 0.03 0.98 -0.52 1.79 0.23 0.00 0.00 176.91 179.42 1nvm h THR 295 N 0.28 1.34 -0.11 -0.77 1.35 -1.28 -1.02 112.91 112.69 1nvm h THR 295 Ca 0.02 -1.77 -0.01 0.00 -0.55 0.00 0.00 66.41 64.09 1nvm h THR 295 Cb 0.93 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1nvm h THR 295 CO 0.08 0.53 0.03 0.28 -0.25 0.00 0.00 175.52 176.19 1nvm h SER 296 N 0.28 0.17 -0.66 5.36 0.02 -1.23 -1.46 113.55 116.02 1nvm h SER 296 Ca 0.01 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1nvm h SER 296 Cb 1.00 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 1nvm h SER 296 CO 0.09 0.35 0.11 0.00 -1.14 0.00 0.00 176.83 176.24 1nvm h ALA 297 N 0.83 0.88 -0.55 3.77 0.00 -0.99 0.68 119.26 123.88 1nvm h ALA 297 Ca 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1nvm h ALA 297 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1nvm h ALA 297 CO 0.00 0.64 0.24 0.00 0.00 0.00 0.00 179.25 180.13 1nvm h ALA 298 N 1.05 0.72 -0.29 0.00 0.00 -1.12 -1.61 119.26 118.01 1nvm h ALA 298 Ca 0.20 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1nvm h ALA 298 Cb 0.44 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nvm h ALA 298 CO 0.01 0.31 -0.49 1.25 0.00 0.00 0.00 179.25 180.33 1nvm h LEU 299 N 0.75 0.86 -0.94 0.00 5.85 -1.07 -1.78 115.31 118.99 1nvm h LEU 299 Ca 0.19 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1nvm h LEU 299 Cb 0.17 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1nvm h LEU 299 CO -0.02 1.20 0.58 0.00 -0.34 0.00 0.00 178.44 179.86 1nvm h ALA 300 N 0.82 1.20 -0.04 1.25 0.00 -0.61 -0.07 119.26 121.83 1nvm h ALA 300 Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nvm h ALA 300 Cb 1.07 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1nvm h ALA 300 CO 0.11 0.64 0.02 1.15 0.00 0.00 0.00 179.25 181.17 1nvm h THR 301 N 1.30 1.10 -0.41 0.00 2.02 -1.10 -2.65 112.91 113.17 1nvm h THR 301 Ca 0.34 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 1nvm h THR 301 Cb -0.07 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1nvm h THR 301 CO -0.07 0.08 -0.05 0.00 0.37 0.00 0.00 175.52 175.85 1nvm h ALA 302 N 0.90 1.14 -0.36 6.16 0.00 -0.99 -1.98 119.26 124.12 1nvm h ALA 302 Ca 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1nvm h ALA 302 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nvm h ALA 302 CO -0.00 0.55 0.21 0.93 0.00 0.00 0.00 179.25 180.94 1nvm h GLU 303 N 0.65 0.49 -0.40 0.00 4.39 -0.95 0.48 114.58 119.24 1nvm h GLU 303 Ca 0.12 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 1nvm h GLU 303 Cb 0.48 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1nvm h GLU 303 CO 0.02 0.38 -0.20 -0.09 -1.16 0.00 0.00 179.01 177.97 1nvm h ARG 304 N 0.46 0.77 -0.67 2.33 9.65 -1.32 -0.16 114.38 125.44 1nvm h ARG 304 Ca 0.13 -0.30 -0.05 0.00 -1.10 0.00 0.00 59.98 58.65 1nvm h ARG 304 Cb 0.03 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.54 1nvm h ARG 304 CO -0.02 0.91 0.22 0.52 2.80 0.00 0.00 179.97 184.40 1nvm h MET 305 N 0.68 1.03 -0.45 0.20 2.86 -1.03 -1.30 114.93 116.92 1nvm h MET 305 Ca 0.10 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1nvm h MET 305 Cb 0.71 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1nvm h MET 305 CO 0.05 0.89 0.02 0.00 1.06 0.00 0.00 176.91 178.93 1nvm h ALA 306 N 1.09 0.61 -0.49 6.32 0.00 -0.71 -1.50 119.26 124.58 1nvm h ALA 306 Ca 0.22 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1nvm h ALA 306 Cb 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1nvm h ALA 306 CO -0.01 0.39 0.22 0.37 0.00 0.00 0.00 179.25 180.22 1nvm h GLN 307 N 0.64 0.42 -0.49 0.00 4.15 -0.69 0.74 115.11 119.88 1nvm h GLN 307 Ca 0.13 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1nvm h GLN 307 Cb 0.47 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1nvm h GLN 307 CO 0.02 0.27 0.27 1.03 -1.93 0.00 0.00 178.83 178.49 1nvm h SER 308 N 0.43 0.61 -0.15 -0.69 0.87 -1.00 -0.63 113.55 112.99 1nvm h SER 308 Ca 0.22 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1nvm h SER 308 Cb 0.17 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1nvm h SER 308 CO -0.19 0.53 -0.09 0.24 -0.53 0.00 0.00 176.83 176.79 1nvm h MET 309 N 0.64 0.48 0.00 2.24 2.86 -0.50 -2.31 114.93 118.34 1nvm h MET 309 Ca 0.17 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1nvm h MET 309 Cb 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1nvm h MET 309 CO -0.03 0.58 0.00 1.28 1.06 0.00 0.00 176.91 179.80 1nvm n LEU 310 N -4.23 0.63 -3.23 1.22 4.77 0.18 -4.92 117.00 111.41 1nvm n LEU 310 Ca 0.01 0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 56.35 1nvm n LEU 310 Cb 0.30 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 41.06 1nvm n LEU 310 CO 0.40 -0.22 0.21 0.59 -1.33 0.00 0.00 177.39 177.03 1nvm n ASN 311 N -2.11 -5.94 -0.79 -1.43 4.13 -0.68 -5.07 115.26 103.38 1nvm n ASN 311 Ca 0.05 -0.47 0.10 0.00 1.68 0.00 0.00 54.58 55.95 1nvm n ASN 311 Cb 0.37 -4.57 0.08 0.00 -1.54 0.00 0.00 39.78 34.12 1nvm n ASN 311 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54