#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvm h ASN 2 N 0.00 0.24 -2.59 3.17 -0.73 -2.02 -3.41 115.58 110.23 1nvm h ASN 2 Ca 0.00 -0.65 -0.60 0.00 1.87 0.00 0.00 56.30 56.92 1nvm h ASN 2 Cb 0.00 -0.07 -0.12 0.00 0.27 0.00 0.00 38.32 38.40 1nvm h ASN 2 CO 0.00 0.86 0.71 -1.10 -0.37 0.00 0.00 177.43 177.53 1nvm s GLN 3 N -3.61 3.15 0.15 6.67 -0.21 -1.26 -5.02 119.66 119.52 1nvm s GLN 3 Ca -0.15 -0.61 0.07 0.00 0.02 0.00 0.00 55.36 54.69 1nvm s GLN 3 Cb 0.02 -4.20 -0.04 0.00 1.00 0.00 0.00 33.01 29.79 1nvm s GLN 3 CO 0.74 -1.91 -0.04 0.15 -2.12 0.00 0.00 175.29 172.12 1nvm s LYS 4 N 4.60 2.32 0.22 2.91 1.02 -1.26 -4.92 119.74 124.63 1nvm s LYS 4 Ca 0.27 -1.07 -0.12 0.00 0.02 0.00 0.00 55.97 55.08 1nvm s LYS 4 Cb -0.14 -2.35 -0.07 0.00 -0.52 0.00 0.00 37.83 34.75 1nvm s LYS 4 CO 0.12 0.48 0.57 -0.51 -0.92 0.00 0.00 175.35 175.09 1nvm s LEU 5 N -2.66 4.20 0.20 3.17 1.43 0.14 -4.80 118.68 120.36 1nvm s LEU 5 Ca 0.25 1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 54.27 1nvm s LEU 5 Cb -0.10 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.44 1nvm s LEU 5 CO 0.17 -0.04 0.50 -0.54 0.23 0.00 0.00 176.35 176.67 1nvm s LYS 6 N -2.60 3.77 0.18 1.70 1.02 -1.25 -0.91 119.74 121.65 1nvm s LYS 6 Ca 0.46 0.20 0.08 0.00 0.02 0.00 0.00 55.97 56.72 1nvm s LYS 6 Cb -0.12 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1nvm s LYS 6 CO 0.20 0.37 -0.16 0.14 -0.92 0.00 0.00 175.35 174.98 1nvm s VAL 7 N -1.75 1.74 0.13 3.17 -7.23 -0.46 -1.48 120.40 114.51 1nvm s VAL 7 Ca 0.45 -2.02 0.10 0.00 -1.81 0.00 0.00 61.98 58.69 1nvm s VAL 7 Cb -0.12 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1nvm s VAL 7 CO 0.22 -0.45 -0.24 0.00 -0.31 0.00 0.00 175.10 174.32 1nvm s ALA 8 N -2.45 2.16 -0.12 1.32 0.00 -0.57 0.66 121.76 122.76 1nvm s ALA 8 Ca 0.18 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.75 1nvm s ALA 8 Cb -0.04 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1nvm s ALA 8 CO 0.06 0.44 -0.18 0.42 0.00 0.00 0.00 175.76 176.50 1nvm s ILE 9 N -1.25 1.69 -0.27 0.00 1.01 -0.51 -1.22 121.20 120.65 1nvm s ILE 9 Ca 0.12 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 1nvm s ILE 9 Cb -0.09 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1nvm s ILE 9 CO 0.06 0.48 0.10 0.27 0.00 0.00 0.00 174.94 175.85 1nvm s ILE 10 N 0.89 4.41 0.00 2.92 -4.36 -0.16 -0.46 121.20 124.43 1nvm s ILE 10 Ca -0.08 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.04 1nvm s ILE 10 Cb -0.15 -3.13 0.00 0.00 1.25 0.00 0.00 42.46 40.42 1nvm s ILE 10 CO -0.01 0.24 0.00 0.61 0.24 0.00 0.00 174.94 176.02 1nvm n GLY 11 N 4.94 2.20 2.21 6.27 0.00 0.57 -0.26 105.19 121.12 1nvm n GLY 11 Ca -0.15 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 6.15 0.00 1.61 3.41 -1.25 -3.93 113.62 119.61 1nvm n SER 12 Ca 0.00 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.87 1nvm n SER 12 Cb 0.00 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 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 -0.97 1.92 0.12 5.00 0.00 -1.26 -3.09 105.19 106.91 1nvm n GLY 13 Ca 0.59 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.19 -0.06 1.61 2.35 -1.92 -1.92 115.58 115.46 1nvm h ASN 14 Ca 0.00 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1nvm h ASN 14 Cb 0.00 0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1nvm h ASN 14 CO 0.00 -0.02 -0.04 0.40 -1.65 0.00 0.00 177.43 176.12 1nvm h ILE 15 N -0.34 1.34 -0.87 2.81 1.08 -1.90 -2.42 117.51 117.20 1nvm h ILE 15 Ca -0.02 -1.08 -0.01 0.00 -0.39 0.00 0.00 64.86 63.35 1nvm h ILE 15 Cb 0.27 1.95 -0.04 0.00 -3.07 0.00 0.00 36.82 35.92 1nvm h ILE 15 CO 0.04 0.30 0.49 1.23 -0.69 0.00 0.00 178.15 179.52 1nvm h GLY 16 N -0.28 1.29 1.16 5.37 0.00 -1.67 -0.98 103.07 107.96 1nvm h GLY 16 Ca 0.01 -0.57 -0.22 0.00 0.00 0.00 0.00 47.33 46.56 1nvm h GLY 16 CO 0.01 0.55 -0.73 -0.84 0.00 0.00 0.00 176.54 175.53 1nvm h THR 17 N 1.21 1.28 -0.90 4.70 2.02 -1.41 0.13 112.91 119.93 1nvm h THR 17 Ca 0.31 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 1nvm h THR 17 Cb 0.00 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 1nvm h THR 17 CO -0.05 0.61 0.53 -0.78 0.37 0.00 0.00 175.52 176.20 1nvm h ASP 18 N 0.55 1.09 -0.52 4.18 1.82 -1.31 -2.34 116.42 119.89 1nvm h ASP 18 Ca -0.04 -0.07 -0.09 0.00 -0.39 0.00 0.00 57.03 56.43 1nvm h ASP 18 Cb 1.36 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 41.07 1nvm h ASP 18 CO 0.15 0.85 -0.02 0.25 -1.61 0.00 0.00 179.24 178.86 1nvm h LEU 19 N 1.25 0.95 -0.58 2.28 5.85 -0.99 -2.21 115.31 121.85 1nvm h LEU 19 Ca 0.32 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1nvm h LEU 19 Cb -0.04 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1nvm h LEU 19 CO -0.06 1.01 0.33 -0.03 -0.34 0.00 0.00 178.44 179.35 1nvm h MET 20 N 0.89 0.81 -0.85 1.25 4.05 -0.55 -1.03 114.93 119.49 1nvm h MET 20 Ca 0.16 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1nvm h MET 20 Cb 0.55 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.15 1nvm h MET 20 CO 0.03 0.61 0.47 0.82 0.23 0.00 0.00 176.91 179.07 1nvm h ILE 21 N 0.79 1.25 -0.51 1.77 2.04 -1.22 -0.14 117.51 121.48 1nvm h ILE 21 Ca 0.21 -0.61 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 1nvm h ILE 21 Cb 0.03 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1nvm h ILE 21 CO -0.03 0.28 0.01 0.11 0.00 0.00 0.00 178.15 178.51 1nvm h LYS 22 N 1.19 0.86 0.02 2.37 1.57 -0.80 -0.27 116.57 121.52 1nvm h LYS 22 Ca 0.30 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1nvm h LYS 22 Cb 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1nvm h LYS 22 CO -0.05 0.85 -0.01 0.28 -0.57 0.00 0.00 179.45 179.95 1nvm h VAL 23 N 0.80 1.16 -0.06 0.50 2.07 -0.61 0.19 116.25 120.31 1nvm h VAL 23 Ca 0.15 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1nvm h VAL 23 Cb 0.46 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1nvm h VAL 23 CO 0.02 0.15 -0.19 -0.07 0.02 0.00 0.00 177.57 177.50 1nvm h LEU 24 N -0.28 -0.57 0.10 2.57 3.38 -0.81 -2.38 115.31 117.31 1nvm h LEU 24 Ca -0.00 0.09 -0.29 0.00 0.09 0.00 0.00 57.88 57.76 1nvm h LEU 24 Cb 0.27 0.25 0.03 0.00 0.09 0.00 0.00 40.66 41.30 1nvm h LEU 24 CO 0.01 -0.25 -1.22 0.03 0.09 0.00 0.00 178.44 177.10 1nvm h ARG 25 N -0.28 0.62 0.00 1.13 3.08 -1.03 -3.42 114.38 114.49 1nvm h ARG 25 Ca 0.08 -0.81 0.00 0.00 0.07 0.00 0.00 59.98 59.32 1nvm h ARG 25 Cb 0.38 0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1nvm h ARG 25 CO -0.22 1.36 -0.04 0.09 -1.07 0.00 0.00 179.97 180.09 1nvm n ASN 26 N -3.79 0.22 -4.76 7.04 5.03 0.65 -5.05 115.26 114.61 1nvm n ASN 26 Ca -0.13 -0.47 -0.41 0.00 0.87 0.00 0.00 54.58 54.45 1nvm n ASN 26 Cb 0.97 0.98 -0.03 0.00 -1.02 0.00 0.00 39.78 40.68 1nvm n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nvm s ALA 27 N -1.02 3.49 -0.14 5.41 0.00 -0.90 -4.93 121.76 123.67 1nvm s ALA 27 Ca 0.00 1.17 0.16 0.00 0.00 0.00 0.00 51.96 53.29 1nvm s ALA 27 Cb 0.00 -3.46 -0.22 0.00 0.00 0.00 0.00 23.12 19.44 1nvm s ALA 27 CO 0.00 -0.54 0.12 1.63 0.00 0.00 0.00 175.76 176.97 1nvm n LYS 28 N 1.32 1.11 0.00 0.00 5.02 -1.26 -4.62 118.16 119.73 1nvm n LYS 28 Ca 0.01 -0.03 0.05 0.00 -2.02 0.00 0.00 58.31 56.32 1nvm n LYS 28 Cb 0.42 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.55 0.00 -4.25 2.13 4.01 -1.26 0.20 117.16 115.44 1nvm n TYR 29 Ca -0.24 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.32 1nvm n TYR 29 Cb 0.96 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.88 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 -1.93 2.40 0.02 7.72 1.43 -1.26 -0.68 118.68 126.38 1nvm s LEU 30 Ca 0.07 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.31 1nvm s LEU 30 Cb 0.08 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 1nvm s LEU 30 CO 0.31 -0.12 0.09 -1.83 0.23 0.00 0.00 176.35 175.03 1nvm s GLU 31 N -2.63 0.51 0.18 1.70 -1.05 -0.08 -4.72 118.70 112.60 1nvm s GLU 31 Ca 0.09 -0.63 -0.32 0.00 -0.15 0.00 0.00 54.97 53.97 1nvm s GLU 31 Cb -0.05 0.20 -0.11 0.00 -0.44 0.00 0.00 34.13 33.73 1nvm s GLU 31 CO 0.03 -0.12 1.63 -1.64 0.95 0.00 0.00 175.26 176.12 1nvm s MET 32 N -2.06 4.18 -0.21 -4.83 -1.94 -1.26 -1.36 119.30 111.83 1nvm s MET 32 Ca -0.10 2.45 -0.12 0.00 -1.71 0.00 0.00 55.69 56.22 1nvm s MET 32 Cb -0.04 -3.16 -0.09 0.00 2.01 0.00 0.00 34.83 33.55 1nvm s MET 32 CO -0.02 -0.67 -0.29 0.41 -0.01 0.00 0.00 175.02 174.44 1nvm n GLY 33 N 3.86 -0.39 3.45 -0.03 0.00 0.21 -4.74 105.19 107.55 1nvm n GLY 33 Ca 0.15 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.49 -1.56 -0.14 4.61 0.00 -0.76 -4.19 121.76 117.23 1nvm s ALA 34 Ca -0.30 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 1nvm s ALA 34 Cb 0.10 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 1nvm s ALA 34 CO 0.39 -0.48 -0.12 1.41 0.00 0.00 0.00 175.76 176.97 1nvm s MET 35 N -2.03 3.41 -0.17 0.00 1.75 -0.18 -1.42 119.30 120.67 1nvm s MET 35 Ca -0.07 -0.67 0.01 0.00 -1.25 0.00 0.00 55.69 53.71 1nvm s MET 35 Cb -0.01 -2.69 0.02 0.00 2.84 0.00 0.00 34.83 34.99 1nvm s MET 35 CO 0.02 0.18 -0.20 0.08 -0.65 0.00 0.00 175.02 174.45 1nvm s VAL 36 N 0.45 2.08 0.23 10.11 1.01 0.39 -2.42 120.40 132.25 1nvm s VAL 36 Ca -0.09 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1nvm s VAL 36 Cb -0.16 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1nvm s VAL 36 CO 0.04 0.54 0.12 0.61 0.00 0.00 0.00 175.10 176.41 1nvm n GLY 37 N 4.45 3.51 0.00 4.51 0.00 0.09 -0.32 105.19 117.44 1nvm n GLY 37 Ca -0.21 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.49 0.07 -3.98 -0.61 -6.64 -1.26 -1.85 119.36 104.61 1nvm n ILE 38 Ca -0.01 -0.35 -0.31 0.00 -1.77 0.00 0.00 62.75 60.32 1nvm n ILE 38 Cb 0.36 1.30 -0.15 0.00 -1.44 0.00 0.00 39.64 39.71 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 -0.07 4.14 0.58 7.28 2.15 -1.26 -4.92 116.67 124.57 1nvm s ASP 39 Ca 0.00 -1.37 0.28 0.00 0.43 0.00 0.00 52.55 51.89 1nvm s ASP 39 Cb 0.00 -1.33 1.63 0.00 -0.30 0.00 0.00 42.92 42.93 1nvm s ASP 39 CO 0.00 -0.24 2.12 0.00 -0.17 0.00 0.00 175.17 176.87 1nvm h ALA 40 N 7.87 1.83 -0.09 3.66 0.00 -1.94 0.12 119.26 130.71 1nvm h ALA 40 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nvm h ALA 40 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nvm h ALA 40 CO 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1nvm n ALA 41 N -2.37 2.54 -1.71 0.00 0.00 -1.26 -4.85 120.51 112.87 1nvm n ALA 41 Ca 0.01 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 1nvm n ALA 41 Cb 0.30 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 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 0.35 3.25 -0.15 0.00 2.88 0.42 -4.88 113.62 115.49 1nvm n SER 42 Ca 0.18 1.16 -0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1nvm n SER 42 Cb 0.37 -1.51 0.26 0.00 -0.75 0.00 0.00 64.21 62.57 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 4.20 0.76 -0.70 -3.46 1.82 -1.89 -2.40 116.42 114.75 1nvm h ASP 43 Ca -0.46 -0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.09 1nvm h ASP 43 Cb 1.25 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 41.04 1nvm h ASP 43 CO 0.75 0.62 0.32 1.23 -1.61 0.00 0.00 179.24 180.55 1nvm h GLY 44 N 0.93 1.11 1.09 -0.78 0.00 -1.88 0.33 103.07 103.88 1nvm h GLY 44 Ca 0.22 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1nvm h GLY 44 CO -0.03 0.53 -0.38 1.41 0.00 0.00 0.00 176.54 178.06 1nvm h LEU 45 N 1.02 0.95 -0.51 3.11 3.38 -1.65 0.46 115.31 122.06 1nvm h LEU 45 Ca 0.25 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1nvm h LEU 45 Cb 0.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1nvm h LEU 45 CO -0.03 1.23 0.33 0.00 0.09 0.00 0.00 178.44 180.07 1nvm h ALA 46 N 0.74 0.65 -0.84 1.53 0.00 -1.11 -0.25 119.26 119.99 1nvm h ALA 46 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1nvm h ALA 46 Cb 0.98 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1nvm h ALA 46 CO 0.09 0.11 0.41 -0.09 0.00 0.00 0.00 179.25 179.78 1nvm h ARG 47 N 0.69 1.20 -0.55 0.00 9.65 -0.76 -1.64 114.38 122.98 1nvm h ARG 47 Ca 0.19 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1nvm h ARG 47 Cb -0.06 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.27 1nvm h ARG 47 CO -0.04 0.91 0.21 0.00 2.80 0.00 0.00 179.97 183.85 1nvm h ALA 48 N 1.26 0.71 -0.63 2.80 0.00 -0.38 -2.62 119.26 120.40 1nvm h ALA 48 Ca 0.29 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1nvm h ALA 48 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1nvm h ALA 48 CO -0.04 0.33 0.26 1.96 0.00 0.00 0.00 179.25 181.76 1nvm h GLN 49 N 0.75 0.95 0.00 0.00 4.20 -0.77 -0.19 115.11 120.05 1nvm h GLN 49 Ca 0.18 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1nvm h GLN 49 Cb 0.21 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1nvm h GLN 49 CO -0.01 0.80 -0.22 0.00 -0.67 0.00 0.00 178.83 178.72 1nvm h ARG 50 N 0.89 0.00 -0.56 1.46 3.08 -1.15 -2.19 114.38 115.91 1nvm h ARG 50 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1nvm h ARG 50 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1nvm h ARG 50 CO -0.02 0.22 0.00 -1.33 -1.07 0.00 0.00 179.97 177.77 1nvm n MET 51 N -3.94 2.40 -0.97 0.04 2.81 -0.98 -4.95 117.12 111.53 1nvm n MET 51 Ca -0.02 -1.98 0.00 0.00 -1.81 0.00 0.00 57.70 53.89 1nvm n MET 51 Cb 0.30 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.28 0.64 3.75 3.03 0.00 -0.82 -5.03 105.19 108.03 1nvm n GLY 52 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.51 4.67 0.33 1.61 1.01 -0.12 -4.99 120.40 120.40 1nvm s VAL 53 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 1nvm s VAL 53 Cb 0.00 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 1nvm s VAL 53 CO 0.00 0.39 1.53 -0.89 0.00 0.00 0.00 175.10 176.13 1nvm s THR 54 N -0.23 2.09 0.24 3.92 2.01 -1.26 -4.05 115.64 118.36 1nvm s THR 54 Ca 0.38 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.51 1nvm s THR 54 Cb -0.21 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 1nvm s THR 54 CO 0.24 0.02 -0.04 0.42 -0.69 0.00 0.00 174.62 174.56 1nvm s THR 55 N -0.55 1.32 -0.11 -0.82 -4.23 -1.26 -1.01 115.64 108.99 1nvm s THR 55 Ca 0.58 -2.08 -0.14 0.00 -1.18 0.00 0.00 61.69 58.87 1nvm s THR 55 Cb -0.47 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.07 1nvm s THR 55 CO 0.55 -0.36 0.38 0.28 -0.54 0.00 0.00 174.62 174.93 1nvm s THR 56 N -3.23 0.01 -0.20 3.99 -1.32 -1.02 -4.96 115.64 108.92 1nvm s THR 56 Ca 0.28 -0.12 0.15 0.00 -1.21 0.00 0.00 61.69 60.78 1nvm s THR 56 Cb 0.04 -0.58 0.45 0.00 -1.51 0.00 0.00 72.50 70.91 1nvm s THR 56 CO 0.09 -0.07 1.34 0.00 -2.21 0.00 0.00 174.62 173.78 1nvm n TYR 57 N 2.39 0.65 -1.36 9.09 0.18 -1.26 -0.73 117.16 126.12 1nvm n TYR 57 Ca -0.15 -1.16 -0.14 0.00 1.88 0.00 0.00 57.90 58.32 1nvm n TYR 57 Cb 0.57 -0.31 0.19 0.00 -0.38 0.00 0.00 39.34 39.40 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 -0.98 4.96 -0.99 -3.48 0.00 -1.22 -4.27 120.51 114.53 1nvm n ALA 58 Ca 0.23 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.62 1nvm n ALA 58 Cb 0.85 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.13 0.58 0.20 0.00 0.00 -0.77 -1.59 105.19 102.47 1nvm n GLY 59 Ca 0.46 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.67 1nvm n GLY 59 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1nvm h VAL 60 N 0.00 1.08 -0.07 1.61 3.04 -1.95 -0.64 116.25 119.33 1nvm h VAL 60 Ca 0.00 -1.19 -0.11 0.00 -1.01 0.00 0.00 66.70 64.39 1nvm h VAL 60 Cb 0.00 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 1nvm h VAL 60 CO 0.00 0.32 -0.48 -0.33 -1.01 0.00 0.00 177.57 176.08 1nvm h GLU 61 N 0.00 0.16 -0.41 4.17 5.08 -2.00 -2.15 114.58 119.42 1nvm h GLU 61 Ca -0.00 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1nvm h GLU 61 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1nvm h GLU 61 CO 0.04 0.61 -0.30 0.78 -1.00 0.00 0.00 179.01 179.14 1nvm h GLY 62 N 1.36 0.99 1.00 -3.84 0.00 -0.18 -2.87 103.07 99.53 1nvm h GLY 62 Ca 0.01 -0.93 -0.06 0.00 0.00 0.00 0.00 47.33 46.35 1nvm h GLY 62 CO 0.07 0.84 0.09 -2.00 0.00 0.00 0.00 176.54 175.54 1nvm h LEU 63 N 0.77 0.85 -1.82 3.11 5.85 -0.85 -2.81 115.31 120.41 1nvm h LEU 63 Ca 0.08 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1nvm h LEU 63 Cb 0.87 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1nvm h LEU 63 CO 0.08 0.89 -0.14 0.40 -0.34 0.00 0.00 178.44 179.33 1nvm h ILE 64 N 0.77 0.86 -0.00 4.05 2.04 -1.32 -1.68 117.51 122.23 1nvm h ILE 64 Ca 0.16 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1nvm h ILE 64 Cb 0.40 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1nvm h ILE 64 CO 0.01 0.14 -0.42 0.29 0.00 0.00 0.00 178.15 178.17 1nvm n LYS 65 N -4.01 0.21 -1.59 2.37 5.02 -1.09 -4.85 118.16 114.23 1nvm n LYS 65 Ca -0.02 -0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 55.82 1nvm n LYS 65 Cb 0.23 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.87 3.32 0.22 -0.35 1.43 -0.63 -4.92 118.68 114.88 1nvm s LEU 66 Ca 0.15 2.09 -0.09 0.00 -1.03 0.00 0.00 54.13 55.25 1nvm s LEU 66 Cb 0.18 -4.56 0.18 0.00 0.03 0.00 0.00 46.19 42.02 1nvm s LEU 66 CO 0.65 -1.90 1.89 -0.65 0.23 0.00 0.00 176.35 176.57 1nvm h PRO 67 N -0.23 1.08 -0.05 1.29 0.11 -1.92 -2.00 132.00 130.29 1nvm h PRO 67 Ca -0.47 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.59 1nvm h PRO 67 Cb 1.26 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1nvm h PRO 67 CO 0.52 0.72 0.12 0.93 -0.21 0.00 0.00 178.00 180.08 1nvm h GLU 68 N 1.11 0.00 -0.51 1.05 3.07 -1.92 -2.88 114.58 114.50 1nvm h GLU 68 Ca 0.30 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.18 1nvm h GLU 68 Cb -0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 1nvm h GLU 68 CO -0.06 0.00 0.34 0.35 -1.40 0.00 0.00 179.01 178.23 1nvm h PHE 69 N 0.00 0.60 -0.74 4.33 3.57 -1.58 -2.13 116.94 120.99 1nvm h PHE 69 Ca 0.02 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.69 1nvm h PHE 69 Cb 0.27 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1nvm h PHE 69 CO 0.00 0.36 0.49 0.00 -2.23 0.00 0.00 178.31 176.94 1nvm h ALA 70 N 1.69 2.15 -0.65 2.41 0.00 -1.70 -1.80 119.26 121.37 1nvm h ALA 70 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nvm h ALA 70 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nvm h ALA 70 CO -0.05 -0.35 0.00 -0.25 0.00 0.00 0.00 179.25 178.60 1nvm n ASP 71 N -4.47 4.83 -4.65 0.00 8.00 -0.81 -4.95 116.55 114.50 1nvm n ASP 71 Ca 0.14 -2.47 -0.37 0.00 0.71 0.00 0.00 54.79 52.80 1nvm n ASP 71 Cb 0.54 -0.59 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.89 5.31 -0.17 0.53 1.01 -0.68 -3.82 121.20 121.49 1nvm s ILE 72 Ca 0.52 0.30 0.16 0.00 0.00 0.00 0.00 60.65 61.63 1nvm s ILE 72 Cb 0.34 -3.56 -0.24 0.00 0.01 0.00 0.00 42.46 39.01 1nvm s ILE 72 CO 0.24 0.30 0.42 0.47 0.00 0.00 0.00 174.94 176.38 1nvm n ASP 73 N 4.50 1.17 -4.23 3.58 8.00 -0.55 -4.96 116.55 124.05 1nvm n ASP 73 Ca -0.13 -0.17 -0.25 0.00 0.71 0.00 0.00 54.79 54.94 1nvm n ASP 73 Cb 0.52 1.60 -0.14 0.00 -0.02 0.00 0.00 41.12 43.07 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 -3.00 1.74 -0.06 1.24 0.40 -1.17 -1.00 117.98 116.14 1nvm s PHE 74 Ca -0.04 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1nvm s PHE 74 Cb 0.11 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.61 1nvm s PHE 74 CO 0.67 0.07 -0.06 0.08 0.70 0.00 0.00 175.22 176.68 1nvm s VAL 75 N -0.75 0.71 -0.21 -0.44 1.01 0.40 -1.51 120.40 119.61 1nvm s VAL 75 Ca 0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1nvm s VAL 75 Cb -0.08 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1nvm s VAL 75 CO 0.01 0.27 0.12 -0.36 0.00 0.00 0.00 175.10 175.14 1nvm s PHE 76 N 0.96 3.30 -0.35 5.22 0.40 -0.36 -0.46 117.98 126.70 1nvm s PHE 76 Ca -0.10 0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 56.27 1nvm s PHE 76 Cb -0.14 -2.18 -0.00 0.00 0.51 0.00 0.00 43.02 41.20 1nvm s PHE 76 CO 0.00 0.12 0.22 0.34 0.70 0.00 0.00 175.22 176.60 1nvm s ASP 77 N 0.72 5.87 -0.38 1.36 -1.08 0.08 -0.99 116.67 122.25 1nvm s ASP 77 Ca 0.06 -0.60 0.08 0.00 -0.52 0.00 0.00 52.55 51.57 1nvm s ASP 77 Cb -0.13 -2.08 0.44 0.00 -1.46 0.00 0.00 42.92 39.69 1nvm s ASP 77 CO 0.02 -0.27 1.12 0.00 0.52 0.00 0.00 175.17 176.55 1nvm n ALA 78 N 5.06 4.76 -1.88 3.66 0.00 0.64 -1.00 120.51 131.76 1nvm n ALA 78 Ca -0.13 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.33 1nvm n ALA 78 Cb 0.49 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1nvm n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nvm n THR 79 N -0.51 0.00 -3.44 0.00 -2.24 -1.24 -4.51 114.28 102.34 1nvm n THR 79 Ca 0.36 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 62.02 1nvm n THR 79 Cb 0.77 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1nvm n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nvm s SER 80 N -0.69 -0.55 0.28 3.42 1.04 -1.26 -4.51 113.70 111.43 1nvm s SER 80 Ca 0.00 -0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.38 1nvm s SER 80 Cb 0.00 0.59 0.39 0.00 0.10 0.00 0.00 66.02 67.09 1nvm s SER 80 CO 0.00 -0.95 1.93 0.00 0.98 0.00 0.00 173.24 175.19 1nvm h ALA 81 N 2.00 1.38 -0.51 5.32 0.00 -1.91 -1.73 119.26 123.82 1nvm h ALA 81 Ca -0.33 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1nvm h ALA 81 Cb 1.30 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1nvm h ALA 81 CO 0.37 0.54 -0.12 0.66 0.00 0.00 0.00 179.25 180.70 1nvm h SER 82 N 1.21 0.96 0.58 0.00 4.64 -1.97 -2.99 113.55 115.98 1nvm h SER 82 Ca 0.37 -0.32 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 1nvm h SER 82 Cb -0.03 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1nvm h SER 82 CO -0.10 1.09 -0.42 0.00 -0.87 0.00 0.00 176.83 176.53 1nvm h ALA 83 N 0.99 1.15 -0.90 5.18 0.00 -1.78 -3.10 119.26 120.80 1nvm h ALA 83 Ca 0.13 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1nvm h ALA 83 Cb 0.67 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1nvm h ALA 83 CO 0.05 0.52 0.59 1.25 0.00 0.00 0.00 179.25 181.66 1nvm h HIS 84 N 0.00 1.06 -0.11 0.00 2.76 -1.18 -0.27 115.15 117.40 1nvm h HIS 84 Ca -0.00 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1nvm h HIS 84 Cb 0.82 -0.35 -0.06 0.00 1.55 0.00 0.00 27.41 29.37 1nvm h HIS 84 CO 0.00 0.58 -0.28 0.28 -1.30 0.00 0.00 177.93 177.21 1nvm h VAL 85 N 1.06 0.35 -0.22 5.26 2.07 -1.62 0.77 116.25 123.92 1nvm h VAL 85 Ca 0.37 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.76 1nvm h VAL 85 Cb 0.12 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1nvm h VAL 85 CO -0.13 0.00 -0.42 1.56 0.02 0.00 0.00 177.57 178.61 1nvm h GLN 86 N -0.37 0.53 -0.26 1.57 4.20 -1.62 -2.10 115.11 117.07 1nvm h GLN 86 Ca 0.09 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1nvm h GLN 86 Cb 0.51 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1nvm h GLN 86 CO -0.32 0.85 0.13 -0.91 -0.67 0.00 0.00 178.83 177.91 1nvm h ASN 87 N 0.44 0.34 0.11 1.46 2.35 -0.62 -1.46 115.58 118.20 1nvm h ASN 87 Ca 0.04 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1nvm h ASN 87 Cb 0.91 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1nvm h ASN 87 CO 0.08 0.37 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.09 1nvm h GLU 88 N 0.29 -0.15 -0.27 0.81 4.57 -0.79 -1.92 114.58 117.12 1nvm h GLU 88 Ca 0.09 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.33 1nvm h GLU 88 Cb 0.12 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.67 1nvm h GLU 88 CO -0.01 -0.10 -0.50 0.00 -1.18 0.00 0.00 179.01 177.21 1nvm h ALA 89 N 0.73 -0.72 -0.44 2.92 0.00 -1.13 -0.67 119.26 119.96 1nvm h ALA 89 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nvm h ALA 89 Cb 0.12 0.98 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1nvm h ALA 89 CO 0.02 -1.01 0.29 -0.07 0.00 0.00 0.00 179.25 178.48 1nvm h LEU 90 N -0.47 0.50 -0.60 0.00 4.07 -1.23 -2.87 115.31 114.71 1nvm h LEU 90 Ca 0.07 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.93 1nvm h LEU 90 Cb 0.63 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 1nvm h LEU 90 CO -0.51 0.36 0.03 -0.07 -1.08 0.00 0.00 178.44 177.18 1nvm h LEU 91 N 0.59 1.02 -1.19 1.67 3.38 -1.11 -2.52 115.31 117.15 1nvm h LEU 91 Ca 0.16 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1nvm h LEU 91 Cb -0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1nvm h LEU 91 CO -0.04 1.06 0.36 -0.09 0.09 0.00 0.00 178.44 179.82 1nvm h ARG 92 N 0.94 0.92 -0.02 1.13 9.65 -1.06 0.21 114.38 126.15 1nvm h ARG 92 Ca 0.18 -0.10 -0.20 0.00 -1.10 0.00 0.00 59.98 58.76 1nvm h ARG 92 Cb 0.52 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 1nvm h ARG 92 CO 0.02 0.68 -0.84 1.96 2.80 0.00 0.00 179.97 184.59 1nvm h GLN 93 N 0.93 0.29 0.02 0.20 4.20 -1.39 -2.94 115.11 116.41 1nvm h GLN 93 Ca 0.24 -0.28 -0.21 0.00 0.06 0.00 0.00 58.65 58.45 1nvm h GLN 93 Cb 0.03 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1nvm h GLN 93 CO -0.04 0.97 -0.95 0.00 -0.67 0.00 0.00 178.83 178.14 1nvm h ALA 94 N 0.93 0.43 -1.46 3.87 0.00 -0.96 -3.42 119.26 118.66 1nvm h ALA 94 Ca -0.05 -0.80 -0.14 0.00 0.00 0.00 0.00 54.91 53.92 1nvm h ALA 94 Cb 1.45 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.89 1nvm h ALA 94 CO 0.13 1.03 -0.51 0.21 0.00 0.00 0.00 179.25 180.12 1nvm s LYS 95 N -2.98 0.54 0.48 0.00 2.20 0.69 -5.04 119.74 115.63 1nvm s LYS 95 Ca -0.02 0.03 0.18 0.00 -0.36 0.00 0.00 55.97 55.80 1nvm s LYS 95 Cb 0.10 -0.17 1.19 0.00 -1.51 0.00 0.00 37.83 37.44 1nvm s LYS 95 CO 0.83 -1.09 2.00 -1.35 -0.36 0.00 0.00 175.35 175.39 1nvm h PRO 96 N 7.79 0.21 -0.66 4.03 0.11 -1.74 -2.34 132.00 139.41 1nvm h PRO 96 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1nvm h PRO 96 Cb 1.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1nvm h PRO 96 CO 0.20 0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.54 1nvm n GLY 97 N -1.56 2.23 3.77 -0.55 0.00 -1.26 -4.97 105.19 102.84 1nvm n GLY 97 Ca 0.08 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1nvm n GLY 97 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nvm s ILE 98 N -1.39 2.98 -0.23 -0.61 2.07 -0.88 -4.99 121.20 118.14 1nvm s ILE 98 Ca 0.45 0.81 -0.13 0.00 -1.41 0.00 0.00 60.65 60.37 1nvm s ILE 98 Cb 0.26 -3.45 -0.04 0.00 0.13 0.00 0.00 42.46 39.35 1nvm s ILE 98 CO 0.27 0.07 0.29 -0.13 -1.91 0.00 0.00 174.94 173.53 1nvm s ARG 99 N -2.39 4.10 -0.18 3.50 1.81 -0.17 -4.83 118.95 120.79 1nvm s ARG 99 Ca 0.59 -0.03 -0.07 0.00 -1.72 0.00 0.00 55.73 54.50 1nvm s ARG 99 Cb -0.32 -3.56 -0.04 0.00 -0.45 0.00 0.00 34.95 30.57 1nvm s ARG 99 CO 0.40 -0.05 0.05 -1.17 -0.68 0.00 0.00 175.30 173.86 1nvm s LEU 100 N 1.36 3.76 -0.29 2.53 2.96 0.28 -0.45 118.68 128.82 1nvm s LEU 100 Ca 0.13 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1nvm s LEU 100 Cb -0.14 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.64 1nvm s LEU 100 CO 0.07 0.17 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.64 1nvm s ILE 101 N 0.38 3.02 -0.27 6.68 -1.09 0.40 -1.45 121.20 128.87 1nvm s ILE 101 Ca 0.02 -1.29 -0.20 0.00 -2.23 0.00 0.00 60.65 56.96 1nvm s ILE 101 Cb -0.13 -2.70 -0.02 0.00 -1.58 0.00 0.00 42.46 38.04 1nvm s ILE 101 CO 0.00 -0.05 0.59 -0.62 -1.23 0.00 0.00 174.94 173.64 1nvm s ASP 102 N 1.28 6.51 0.00 3.58 2.15 0.06 -0.75 116.67 129.50 1nvm s ASP 102 Ca -0.04 0.57 0.22 0.00 0.43 0.00 0.00 52.55 53.73 1nvm s ASP 102 Cb -0.19 -2.32 0.16 0.00 -0.30 0.00 0.00 42.92 40.27 1nvm s ASP 102 CO -0.01 -0.37 1.18 0.18 -0.17 0.00 0.00 175.17 175.97 1nvm n LEU 103 N 5.70 2.76 -4.95 -1.34 4.32 -0.17 -1.00 117.00 122.32 1nvm n LEU 103 Ca -0.02 -0.99 -0.23 0.00 -0.02 0.00 0.00 56.01 54.75 1nvm n LEU 103 Cb 0.49 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.32 1nvm n LEU 103 CO 0.43 0.47 0.39 0.42 -1.22 0.00 0.00 177.39 177.88 1nvm s THR 104 N -1.82 3.20 -0.97 -5.08 -4.23 -1.24 -4.85 115.64 100.65 1nvm s THR 104 Ca 0.25 -0.47 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1nvm s THR 104 Cb 0.18 -3.22 0.21 0.00 1.34 0.00 0.00 72.50 71.01 1nvm s THR 104 CO 0.28 -0.18 0.88 -0.81 -0.54 0.00 0.00 174.62 174.25 1nvm n PRO 105 N -2.36 1.96 -0.09 3.99 -0.04 -1.26 -4.34 135.00 132.87 1nvm n PRO 105 Ca 0.05 -0.82 -0.07 0.00 -0.04 0.00 0.00 63.50 62.62 1nvm n PRO 105 Cb 0.59 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1nvm n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nvm h ALA 106 N 2.65 0.37 -5.44 0.55 0.00 -1.89 -3.45 119.26 112.05 1nvm h ALA 106 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 1nvm h ALA 106 Cb 0.81 0.01 0.17 0.00 0.00 0.00 0.00 17.79 18.78 1nvm h ALA 106 CO 0.11 -0.28 -0.76 0.00 0.00 0.00 0.00 179.25 178.33 1nvm n ALA 107 N -2.30 -2.06 0.62 0.00 0.00 -1.26 -4.90 120.51 110.61 1nvm n ALA 107 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1nvm n ALA 107 Cb 0.11 -3.26 0.26 0.00 0.00 0.00 0.00 19.45 16.56 1nvm n ALA 107 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1nvm n ILE 108 N -3.74 0.41 -4.32 0.00 -5.35 -1.26 -4.87 119.36 100.22 1nvm n ILE 108 Ca -0.22 -0.26 -0.27 0.00 -0.27 0.00 0.00 62.75 61.73 1nvm n ILE 108 Cb 0.65 -0.26 -0.07 0.00 -1.74 0.00 0.00 39.64 38.21 1nvm n ILE 108 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1nvm s GLY 109 N -3.59 2.52 0.63 3.28 0.00 -1.26 -5.06 107.32 103.85 1nvm s GLY 109 Ca 0.08 -1.67 -0.14 0.00 0.00 0.00 0.00 44.72 42.99 1nvm s GLY 109 CO 0.68 -2.01 1.06 2.56 0.00 0.00 0.00 173.10 175.39 1nvm s PRO 110 N -3.92 3.13 0.30 2.90 0.04 -1.25 -4.10 135.00 132.10 1nvm s PRO 110 Ca 0.32 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 1nvm s PRO 110 Cb 0.04 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1nvm s PRO 110 CO 0.17 -0.95 1.06 0.71 0.04 0.00 0.00 177.00 178.03 1nvm s TYR 111 N -2.63 3.59 -0.09 0.56 1.51 -1.26 -1.12 117.35 117.91 1nvm s TYR 111 Ca 0.62 1.73 -0.00 0.00 -1.01 0.00 0.00 57.07 58.41 1nvm s TYR 111 Cb -0.16 -3.19 0.02 0.00 -0.11 0.00 0.00 41.96 38.52 1nvm s TYR 111 CO 0.43 -0.37 -0.06 0.00 -1.11 0.00 0.00 175.55 174.44 1nvm s VAL 113 N 1.64 1.90 0.25 0.00 1.01 -1.26 -4.60 120.40 119.35 1nvm s VAL 113 Ca 0.02 -2.06 -0.05 0.00 0.00 0.00 0.00 61.98 59.89 1nvm s VAL 113 Cb -0.13 -2.40 0.28 0.00 0.00 0.00 0.00 36.38 34.14 1nvm s VAL 113 CO -0.06 -0.59 1.64 -0.65 0.00 0.00 0.00 175.10 175.44 1nvm h PRO 114 N 7.74 0.13 0.00 2.72 0.11 -1.89 0.26 132.00 141.07 1nvm h PRO 114 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1nvm h PRO 114 Cb 1.02 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1nvm h PRO 114 CO 0.50 0.09 0.00 1.33 -0.21 0.00 0.00 178.00 179.71 1nvm n VAL 115 N -5.31 0.91 -0.12 3.15 0.24 -1.26 -1.99 118.33 113.95 1nvm n VAL 115 Ca 0.15 0.38 -0.24 0.00 -2.04 0.00 0.00 64.34 62.59 1nvm n VAL 115 Cb 0.51 -1.33 -0.08 0.00 -1.47 0.00 0.00 33.84 31.47 1nvm n VAL 115 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1nvm n VAL 116 N -2.22 1.49 -2.72 3.34 0.31 0.73 -4.90 118.33 114.36 1nvm n VAL 116 Ca 0.01 -0.25 -0.02 0.00 -0.01 0.00 0.00 64.34 64.08 1nvm n VAL 116 Cb 0.17 -1.99 0.05 0.00 -0.91 0.00 0.00 33.84 31.16 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 -4.27 1.79 -0.26 4.52 6.94 -0.20 -4.93 115.26 118.84 1nvm n ASN 117 Ca -0.43 -2.18 0.04 0.00 -0.02 0.00 0.00 54.58 51.98 1nvm n ASN 117 Cb 0.78 -0.45 0.17 0.00 -2.36 0.00 0.00 39.78 37.92 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 2.39 0.40 -1.12 -4.53 5.85 -1.53 -2.07 115.31 114.71 1nvm h LEU 118 Ca -0.11 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1nvm h LEU 118 Cb 1.35 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1nvm h LEU 118 CO 0.22 0.20 0.00 -0.33 -0.34 0.00 0.00 178.44 178.19 1nvm h GLU 119 N 0.54 0.00 -0.03 1.25 4.39 -1.92 -3.36 114.58 115.46 1nvm h GLU 119 Ca 0.39 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 1nvm h GLU 119 Cb 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1nvm h GLU 119 CO -0.33 0.00 0.02 1.49 -1.16 0.00 0.00 179.01 179.02 1nvm h GLU 120 N 0.00 0.04 -0.38 2.33 4.81 -1.77 -3.31 114.58 116.29 1nvm h GLU 120 Ca 0.00 -0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 1nvm h GLU 120 Cb 0.50 -0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.74 1nvm h GLU 120 CO 0.00 0.06 -0.15 0.72 -0.73 0.00 0.00 179.01 178.92 1nvm n HIS 121 N -5.05 1.22 0.30 0.92 8.25 -1.26 -4.72 115.22 114.87 1nvm n HIS 121 Ca -0.07 -1.72 0.19 0.00 -0.26 0.00 0.00 57.72 55.87 1nvm n HIS 121 Cb 0.05 -0.50 0.91 0.00 1.12 0.00 0.00 29.99 31.57 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 1.13 0.00 -1.98 2.41 3.38 -1.76 -1.40 115.31 117.09 1nvm h LEU 122 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1nvm h LEU 122 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1nvm h LEU 122 CO 0.44 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.59 1nvm n GLY 123 N -0.49 1.39 3.82 0.83 0.00 -1.26 -4.86 105.19 104.62 1nvm n GLY 123 Ca -0.01 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.48 4.22 0.00 1.61 -0.14 -0.53 -4.97 119.74 118.45 1nvm s LYS 124 Ca 0.37 0.85 0.22 0.00 -1.36 0.00 0.00 55.97 56.06 1nvm s LYS 124 Cb 0.21 -2.78 0.62 0.00 -1.68 0.00 0.00 37.83 34.20 1nvm s LYS 124 CO 0.29 0.33 1.49 1.28 -0.76 0.00 0.00 175.35 177.98 1nvm n LEU 125 N 0.48 2.33 -3.39 3.17 4.77 -1.26 -4.70 117.00 118.41 1nvm n LEU 125 Ca -0.01 -0.96 -0.08 0.00 -0.03 0.00 0.00 56.01 54.93 1nvm n LEU 125 Cb 0.51 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1nvm n LEU 125 CO 0.43 0.48 -0.03 0.21 -1.33 0.00 0.00 177.39 177.15 1nvm s ASN 126 N -1.60 0.08 -0.06 -1.43 3.04 -1.25 -0.56 114.94 113.16 1nvm s ASN 126 Ca 0.34 0.38 0.06 0.00 0.04 0.00 0.00 52.86 53.68 1nvm s ASN 126 Cb 0.20 1.20 -0.01 0.00 -1.54 0.00 0.00 41.25 41.10 1nvm s ASN 126 CO 0.29 -0.29 -0.24 -0.69 -3.04 0.00 0.00 177.10 173.13 1nvm s VAL 127 N 2.57 1.99 -0.09 -5.21 1.01 -0.53 -3.91 120.40 116.23 1nvm s VAL 127 Ca 0.11 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1nvm s VAL 127 Cb -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1nvm s VAL 127 CO -0.16 0.55 0.23 0.21 0.00 0.00 0.00 175.10 175.94 1nvm s ASN 128 N -0.15 6.50 -0.20 3.32 2.47 -0.28 -0.76 114.94 125.84 1nvm s ASN 128 Ca -0.03 0.60 0.15 0.00 0.42 0.00 0.00 52.86 53.99 1nvm s ASN 128 Cb -0.13 -2.13 0.78 0.00 -1.45 0.00 0.00 41.25 38.32 1nvm s ASN 128 CO 0.03 0.34 1.70 0.23 -3.72 0.00 0.00 177.10 175.68 1nvm n MET 129 N 2.18 4.56 0.00 0.43 2.81 -0.17 -1.35 117.12 125.57 1nvm n MET 129 Ca -0.17 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 52.70 1nvm n MET 129 Cb 0.54 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 1nvm n MET 129 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1nvm n VAL 130 N 0.74 0.00 -4.02 2.03 0.31 -1.26 -4.67 118.33 111.45 1nvm n VAL 130 Ca 0.27 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.48 1nvm n VAL 130 Cb 1.11 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 34.00 1nvm n VAL 130 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1nvm s THR 131 N 0.00 0.00 0.14 2.52 -4.23 -1.26 -3.99 115.64 108.82 1nvm s THR 131 Ca 0.00 -1.47 -0.16 0.00 -1.18 0.00 0.00 61.69 58.89 1nvm s THR 131 Cb 0.00 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.36 1nvm s THR 131 CO 0.00 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.80 1nvm h GLY 133 N 0.54 0.40 0.49 0.00 0.00 -1.97 -1.03 103.07 101.52 1nvm h GLY 133 Ca 0.14 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.41 1nvm h GLY 133 CO -0.02 0.10 -0.03 -1.33 0.00 0.00 0.00 176.54 175.26 1nvm h GLY 134 N 0.33 0.25 1.61 4.60 0.00 -1.87 -0.47 103.07 107.52 1nvm h GLY 134 Ca 0.12 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1nvm h GLY 134 CO -0.07 -0.08 -0.02 1.46 0.00 0.00 0.00 176.54 177.83 1nvm h GLN 135 N 0.05 0.49 0.00 4.80 1.08 -0.46 0.11 115.11 121.18 1nvm h GLN 135 Ca 0.14 -0.11 -0.18 0.00 -1.45 0.00 0.00 58.65 57.06 1nvm h GLN 135 Cb 0.20 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1nvm h GLN 135 CO -0.26 0.53 -0.82 0.00 -0.95 0.00 0.00 178.83 177.33 1nvm h ALA 136 N 1.52 0.63 0.00 3.87 0.00 -0.93 -3.40 119.26 120.95 1nvm h ALA 136 Ca 0.10 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1nvm h ALA 136 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1nvm h ALA 136 CO 0.01 0.97 -1.44 0.25 0.00 0.00 0.00 179.25 179.03 1nvm n THR 137 N -3.62 0.25 -0.36 0.00 -2.24 -0.21 -4.56 114.28 103.54 1nvm n THR 137 Ca -0.02 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 1nvm n THR 137 Cb 0.78 -0.21 0.10 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.26 -0.99 2.28 2.04 -0.97 -0.88 117.51 120.25 1nvm h ILE 138 Ca -0.10 -0.54 0.14 0.00 1.00 0.00 0.00 64.86 65.37 1nvm h ILE 138 Cb 0.89 -0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 1nvm h ILE 138 CO 0.01 0.27 0.62 -0.65 0.00 0.00 0.00 178.15 178.39 1nvm h PRO 139 N 1.33 0.87 -0.25 2.37 0.11 -1.78 -0.36 132.00 134.29 1nvm h PRO 139 Ca 0.35 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.27 1nvm h PRO 139 Cb -0.09 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.82 1nvm h PRO 139 CO -0.07 0.57 -0.41 0.52 -0.21 0.00 0.00 178.00 178.41 1nvm h MET 140 N 0.89 0.58 -0.24 1.05 2.86 -1.42 -0.46 114.93 118.19 1nvm h MET 140 Ca 0.51 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1nvm h MET 140 Cb 0.63 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1nvm h MET 140 CO -0.28 0.89 0.11 0.28 1.06 0.00 0.00 176.91 178.96 1nvm h VAL 141 N 0.48 1.16 -0.32 -2.22 2.07 -0.82 -2.50 116.25 114.09 1nvm h VAL 141 Ca 0.04 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1nvm h VAL 141 Cb 0.91 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1nvm h VAL 141 CO 0.08 0.16 0.09 0.00 0.02 0.00 0.00 177.57 177.92 1nvm h ALA 142 N 0.96 1.57 -0.39 1.67 0.00 -0.98 0.14 119.26 122.22 1nvm h ALA 142 Ca 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1nvm h ALA 142 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1nvm h ALA 142 CO -0.01 0.33 0.09 0.00 0.00 0.00 0.00 179.25 179.66 1nvm h ALA 143 N 1.65 1.43 0.24 0.00 0.00 -0.70 -1.47 119.26 120.41 1nvm h ALA 143 Ca 0.11 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.53 1nvm h ALA 143 Cb 0.16 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 17.81 1nvm h ALA 143 CO -0.01 0.42 -1.49 0.28 0.00 0.00 0.00 179.25 178.45 1nvm h VAL 144 N 0.56 1.23 0.00 0.00 2.07 -0.90 -3.35 116.25 115.87 1nvm h VAL 144 Ca 0.13 -2.65 -0.03 0.00 0.82 0.00 0.00 66.70 64.97 1nvm h VAL 144 Cb 0.23 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1nvm h VAL 144 CO -0.00 0.81 -0.13 0.77 0.02 0.00 0.00 177.57 179.04 1nvm h SER 145 N 0.10 0.00 0.14 0.57 4.64 -0.71 0.13 113.55 118.43 1nvm h SER 145 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1nvm h SER 145 Cb 2.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.21 1nvm h SER 145 CO 0.25 0.13 -0.01 -2.11 -0.87 0.00 0.00 176.83 174.22 1nvm n ARG 146 N -3.57 0.91 -0.06 4.77 1.85 -0.58 -3.48 116.66 116.50 1nvm n ARG 146 Ca -0.01 -0.09 -0.09 0.00 -1.00 0.00 0.00 57.85 56.66 1nvm n ARG 146 Cb 0.27 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.13 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 -0.96 0.69 -3.74 8.89 0.31 0.28 -5.07 118.33 118.72 1nvm n VAL 147 Ca 0.21 -0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 1nvm n VAL 147 Cb 0.17 -0.97 -0.07 0.00 -0.91 0.00 0.00 33.84 32.05 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 -2.24 -0.75 0.21 3.52 0.00 -0.17 -5.00 121.76 117.33 1nvm s ALA 148 Ca -0.16 0.08 -0.32 0.00 0.00 0.00 0.00 51.96 51.55 1nvm s ALA 148 Cb 0.04 0.32 -0.12 0.00 0.00 0.00 0.00 23.12 23.36 1nvm s ALA 148 CO 0.28 -0.42 1.72 1.17 0.00 0.00 0.00 175.76 178.51 1nvm n LYS 149 N 0.59 2.74 -3.75 0.00 4.81 -1.26 -4.02 118.16 117.28 1nvm n LYS 149 Ca -0.19 0.99 -0.37 0.00 -0.87 0.00 0.00 58.31 57.88 1nvm n LYS 149 Cb 0.59 -2.83 -0.12 0.00 0.02 0.00 0.00 35.03 32.70 1nvm n LYS 149 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1nvm s VAL 150 N 1.16 4.71 0.05 3.15 1.01 -1.26 -0.88 120.40 128.33 1nvm s VAL 150 Ca 0.75 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.70 1nvm s VAL 150 Cb -0.52 -3.20 -0.26 0.00 0.00 0.00 0.00 36.38 32.41 1nvm s VAL 150 CO 0.33 0.33 1.05 0.45 0.00 0.00 0.00 175.10 177.25 1nvm h HIS 151 N 8.00 0.31 -2.12 5.22 -0.00 -1.04 -1.87 115.15 123.64 1nvm h HIS 151 Ca -0.37 -0.23 -0.05 0.00 -0.00 0.00 0.00 60.37 59.72 1nvm h HIS 151 Cb 1.18 -0.01 -0.21 0.00 -0.00 0.00 0.00 27.41 28.36 1nvm h HIS 151 CO 0.68 1.21 0.07 -0.47 -0.00 0.00 0.00 177.93 179.42 1nvm s TYR 152 N -2.65 -0.73 -0.05 2.45 5.04 -1.12 -2.76 117.35 117.53 1nvm s TYR 152 Ca -0.04 1.78 -0.03 0.00 -2.44 0.00 0.00 57.07 56.34 1nvm s TYR 152 Cb 0.08 0.25 0.02 0.00 0.35 0.00 0.00 41.96 42.66 1nvm s TYR 152 CO 0.85 -0.36 0.12 0.00 -1.34 0.00 0.00 175.55 174.82 1nvm s ALA 153 N 0.34 -0.23 -0.05 3.97 0.00 -0.18 -0.77 121.76 124.84 1nvm s ALA 153 Ca -0.00 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1nvm s ALA 153 Cb -0.05 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1nvm s ALA 153 CO 0.01 -0.10 -0.09 -2.00 0.00 0.00 0.00 175.76 173.58 1nvm s GLU 154 N 0.62 1.30 0.05 0.00 2.12 0.16 -1.34 118.70 121.61 1nvm s GLU 154 Ca -0.05 -0.30 0.08 0.00 0.36 0.00 0.00 54.97 55.06 1nvm s GLU 154 Cb -0.06 -1.14 -0.03 0.00 0.26 0.00 0.00 34.13 33.16 1nvm s GLU 154 CO -0.03 0.02 -0.23 0.96 -0.54 0.00 0.00 175.26 175.44 1nvm s ILE 155 N 0.64 1.85 -0.20 -3.70 -5.25 -0.39 -0.40 121.20 113.74 1nvm s ILE 155 Ca -0.12 -1.29 0.00 0.00 -0.99 0.00 0.00 60.65 58.25 1nvm s ILE 155 Cb -0.14 -1.60 0.05 0.00 2.95 0.00 0.00 42.46 43.72 1nvm s ILE 155 CO 0.02 0.25 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.66 1nvm s VAL 156 N -0.82 1.40 -0.17 8.37 1.01 -0.43 -0.82 120.40 128.94 1nvm s VAL 156 Ca 0.09 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1nvm s VAL 156 Cb -0.09 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1nvm s VAL 156 CO 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 175.10 175.17 1nvm s ALA 157 N 1.49 3.07 -0.14 5.51 0.00 -0.13 -1.01 121.76 130.54 1nvm s ALA 157 Ca -0.02 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1nvm s ALA 157 Cb -0.17 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.29 1nvm s ALA 157 CO -0.07 0.11 -0.18 -1.54 0.00 0.00 0.00 175.76 174.07 1nvm s SER 158 N 0.54 2.84 0.14 0.00 1.04 -0.21 -1.04 113.70 117.01 1nvm s SER 158 Ca -0.01 -0.54 0.06 0.00 0.48 0.00 0.00 55.95 55.93 1nvm s SER 158 Cb -0.14 -1.29 -0.04 0.00 0.10 0.00 0.00 66.02 64.65 1nvm s SER 158 CO 0.02 0.01 -0.13 0.27 0.98 0.00 0.00 173.24 174.39 1nvm s ILE 159 N 1.15 1.32 0.26 -1.02 -4.36 -0.76 -1.59 121.20 116.21 1nvm s ILE 159 Ca -0.01 -1.86 -0.30 0.00 -0.26 0.00 0.00 60.65 58.22 1nvm s ILE 159 Cb -0.14 -1.67 -0.10 0.00 1.25 0.00 0.00 42.46 41.80 1nvm s ILE 159 CO -0.07 -0.53 1.39 -0.55 0.24 0.00 0.00 174.94 175.42 1nvm s SER 160 N -2.75 6.71 0.24 4.36 0.15 -1.25 -1.35 113.70 119.82 1nvm s SER 160 Ca 0.12 2.64 -0.04 0.00 0.70 0.00 0.00 55.95 59.38 1nvm s SER 160 Cb -0.02 -2.63 0.45 0.00 -1.71 0.00 0.00 66.02 62.10 1nvm s SER 160 CO 0.03 -0.64 1.74 0.28 1.20 0.00 0.00 173.24 175.85 1nvm h SER 161 N 4.63 0.33 0.05 5.45 0.02 -1.57 -1.88 113.55 120.59 1nvm h SER 161 Ca -0.47 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1nvm h SER 161 Cb 1.22 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 1nvm h SER 161 CO 0.74 0.14 -0.01 0.11 -1.14 0.00 0.00 176.83 176.67 1nvm h LYS 162 N 0.49 0.00 -0.00 3.45 1.57 -1.91 -1.72 116.57 118.45 1nvm h LYS 162 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1nvm h LYS 162 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1nvm h LYS 162 CO -0.38 0.01 -0.31 -1.13 -0.57 0.00 0.00 179.45 177.07 1nvm n SER 163 N -3.50 0.31 -4.35 0.86 3.41 -0.71 -4.65 113.62 104.99 1nvm n SER 163 Ca -0.03 0.03 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 1nvm n SER 163 Cb 0.09 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 1nvm n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nvm s ALA 164 N -2.99 3.56 1.04 7.33 0.00 -0.65 -4.91 121.76 125.14 1nvm s ALA 164 Ca 0.12 -2.32 -0.18 0.00 0.00 0.00 0.00 51.96 49.58 1nvm s ALA 164 Cb 0.18 -3.30 0.24 0.00 0.00 0.00 0.00 23.12 20.25 1nvm s ALA 164 CO 0.63 -2.04 1.31 0.41 0.00 0.00 0.00 175.76 176.07 1nvm n GLY 165 N 5.24 -1.73 0.33 0.00 0.00 -1.26 -4.78 105.19 102.99 1nvm n GLY 165 Ca -0.12 -1.67 0.15 0.00 0.00 0.00 0.00 46.02 44.37 1nvm n GLY 165 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nvm h PRO 166 N 0.00 0.51 -0.81 1.61 0.11 -1.97 0.11 132.00 131.55 1nvm h PRO 166 Ca -0.43 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.74 1nvm h PRO 166 Cb 1.21 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 1nvm h PRO 166 CO 0.30 0.34 0.46 0.78 -0.21 0.00 0.00 178.00 179.66 1nvm h GLY 167 N 0.52 1.26 0.90 -0.55 0.00 -1.92 -1.10 103.07 102.18 1nvm h GLY 167 Ca 0.59 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 1nvm h GLY 167 CO -0.48 0.11 0.01 -0.84 0.00 0.00 0.00 176.54 175.34 1nvm h THR 168 N 0.76 1.25 0.00 4.70 2.02 -1.28 -3.10 112.91 117.27 1nvm h THR 168 Ca 0.40 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1nvm h THR 168 Cb 0.38 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1nvm h THR 168 CO -0.26 0.31 0.00 0.03 0.37 0.00 0.00 175.52 175.97 1nvm h ARG 169 N 0.38 0.00 -0.01 6.66 3.08 -0.97 -1.79 114.38 121.73 1nvm h ARG 169 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1nvm h ARG 169 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1nvm h ARG 169 CO 0.01 0.00 -0.16 0.00 -1.07 0.00 0.00 179.97 178.76 1nvm n ALA 170 N -1.83 2.88 -2.60 0.04 0.00 -0.45 -4.36 120.51 114.19 1nvm n ALA 170 Ca 0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 1nvm n ALA 170 Cb 0.23 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.54 1nvm n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nvm n ASN 171 N -0.46 2.49 -0.01 0.00 3.02 -0.67 -4.88 115.26 114.76 1nvm n ASN 171 Ca 0.15 -2.67 -0.13 0.00 -0.03 0.00 0.00 54.58 51.89 1nvm n ASN 171 Cb 0.34 -0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 39.03 1nvm n ASN 171 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1nvm h ILE 172 N 4.06 1.31 -0.37 2.41 1.08 -1.76 -0.04 117.51 124.22 1nvm h ILE 172 Ca 0.01 -1.95 -0.05 0.00 -0.39 0.00 0.00 64.86 62.48 1nvm h ILE 172 Cb 1.27 1.92 -0.01 0.00 -3.07 0.00 0.00 36.82 36.93 1nvm h ILE 172 CO 0.43 0.61 0.04 0.44 -0.69 0.00 0.00 178.15 178.98 1nvm h ASP 173 N 0.47 0.60 -0.52 1.72 5.19 -1.93 -2.52 116.42 119.42 1nvm h ASP 173 Ca -0.03 -0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1nvm h ASP 173 Cb 1.28 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.61 1nvm h ASP 173 CO 0.13 0.73 0.31 -0.33 -3.12 0.00 0.00 179.24 176.97 1nvm h GLU 174 N 0.45 0.72 -0.02 3.56 3.07 -1.91 -1.30 114.58 119.16 1nvm h GLU 174 Ca 0.11 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.94 1nvm h GLU 174 Cb 0.40 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.11 1nvm h GLU 174 CO 0.01 0.51 -0.28 0.35 -1.40 0.00 0.00 179.01 178.21 1nvm h PHE 175 N 0.73 -0.75 -0.63 4.33 3.57 -0.62 0.20 116.94 123.78 1nvm h PHE 175 Ca 0.19 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1nvm h PHE 175 Cb -0.02 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1nvm h PHE 175 CO 0.00 -0.37 0.26 1.79 -2.23 0.00 0.00 178.31 177.77 1nvm h THR 176 N -0.41 1.23 -0.03 4.41 1.35 -0.95 -1.57 112.91 116.94 1nvm h THR 176 Ca 0.07 -0.71 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 1nvm h THR 176 Cb 0.51 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1nvm h THR 176 CO -0.25 0.28 -0.03 -0.33 -0.25 0.00 0.00 175.52 174.94 1nvm h GLU 177 N 0.88 0.08 -0.55 4.72 5.08 -1.05 -0.92 114.58 122.82 1nvm h GLU 177 Ca 0.21 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1nvm h GLU 177 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1nvm h GLU 177 CO -0.02 0.55 0.19 1.15 -1.00 0.00 0.00 179.01 179.87 1nvm h THR 178 N -0.39 1.23 -0.45 1.13 2.02 -0.64 -1.68 112.91 114.12 1nvm h THR 178 Ca 0.00 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 1nvm h THR 178 Cb 0.53 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1nvm h THR 178 CO 0.01 0.29 0.13 0.74 0.37 0.00 0.00 175.52 177.05 1nvm h THR 179 N 0.75 1.23 -0.57 3.16 2.02 -1.29 -0.93 112.91 117.28 1nvm h THR 179 Ca 0.18 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1nvm h THR 179 Cb 0.26 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1nvm h THR 179 CO -0.01 0.27 0.38 0.77 0.37 0.00 0.00 175.52 177.30 1nvm h SER 180 N 0.60 0.65 -0.69 4.18 4.64 -1.04 -0.38 113.55 121.51 1nvm h SER 180 Ca 0.14 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 1nvm h SER 180 Cb 0.29 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1nvm h SER 180 CO -0.00 0.47 0.19 0.11 -0.87 0.00 0.00 176.83 176.73 1nvm h LYS 181 N 0.77 1.10 -0.03 4.77 1.57 -1.12 -2.74 116.57 120.89 1nvm h LYS 181 Ca 0.21 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1nvm h LYS 181 Cb -0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1nvm h LYS 181 CO -0.05 0.96 -0.62 0.00 -0.57 0.00 0.00 179.45 179.17 1nvm h ALA 182 N 1.15 0.92 -0.89 3.86 0.00 -0.84 0.49 119.26 123.95 1nvm h ALA 182 Ca 0.22 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1nvm h ALA 182 Cb 0.34 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1nvm h ALA 182 CO -0.00 0.76 0.58 0.82 0.00 0.00 0.00 179.25 181.41 1nvm h ILE 183 N 0.08 1.12 0.32 0.00 2.04 -0.80 0.10 117.51 120.37 1nvm h ILE 183 Ca -0.01 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1nvm h ILE 183 Cb 1.11 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1nvm h ILE 183 CO 0.09 0.20 -0.15 -0.33 0.00 0.00 0.00 178.15 177.95 1nvm h GLU 184 N 1.08 -0.41 0.16 2.37 5.08 -1.14 -2.07 114.58 119.64 1nvm h GLU 184 Ca 0.36 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1nvm h GLU 184 Cb 0.08 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1nvm h GLU 184 CO -0.12 -0.19 -0.07 0.28 -1.00 0.00 0.00 179.01 177.91 1nvm h VAL 185 N -1.07 0.91 0.13 3.13 2.07 -0.82 -1.77 116.25 118.83 1nvm h VAL 185 Ca -0.04 -0.25 -0.34 0.00 0.82 0.00 0.00 66.70 66.88 1nvm h VAL 185 Cb 0.42 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1nvm h VAL 185 CO 0.07 0.06 -1.82 0.40 0.02 0.00 0.00 177.57 176.31 1nvm h ILE 186 N -0.33 0.76 0.00 4.57 1.08 -1.01 -3.38 117.51 119.20 1nvm h ILE 186 Ca -0.02 -2.37 -0.08 0.00 -0.39 0.00 0.00 64.86 61.99 1nvm h ILE 186 Cb 0.26 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 1nvm h ILE 186 CO 0.03 0.82 -0.39 1.23 -0.69 0.00 0.00 178.15 179.15 1nvm h GLY 187 N 0.70 0.00 0.00 5.37 0.00 -1.02 -3.45 103.07 104.68 1nvm h GLY 187 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1nvm h GLY 187 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.23 1nvm n GLY 188 N 0.39 0.75 3.79 4.60 0.00 -0.67 -3.56 105.19 110.50 1nvm n GLY 188 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.08 3.22 0.34 4.61 0.00 -1.05 -4.50 121.76 122.30 1nvm s ALA 189 Ca 0.00 0.46 0.11 0.00 0.00 0.00 0.00 51.96 52.53 1nvm s ALA 189 Cb 0.00 -3.13 0.60 0.00 0.00 0.00 0.00 23.12 20.59 1nvm s ALA 189 CO 0.00 0.19 1.76 0.00 0.00 0.00 0.00 175.76 177.71 1nvm h ALA 190 N 3.08 1.26 -3.42 0.00 0.00 -1.44 -3.37 119.26 115.37 1nvm h ALA 190 Ca -0.47 -0.40 -0.22 0.00 0.00 0.00 0.00 54.91 53.82 1nvm h ALA 190 Cb 1.19 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.62 1nvm h ALA 190 CO 0.65 0.55 -0.61 0.21 0.00 0.00 0.00 179.25 180.05 1nvm s LYS 191 N -4.06 0.10 0.21 0.00 2.47 -1.11 -4.99 119.74 112.37 1nvm s LYS 191 Ca -0.03 0.21 0.10 0.00 -1.56 0.00 0.00 55.97 54.69 1nvm s LYS 191 Cb 0.14 -0.02 -0.05 0.00 -1.46 0.00 0.00 37.83 36.44 1nvm s LYS 191 CO 0.74 -0.06 -0.19 0.20 0.16 0.00 0.00 175.35 176.20 1nvm s GLY 192 N 0.41 1.60 -0.04 5.54 0.00 -1.26 -1.00 107.32 112.57 1nvm s GLY 192 Ca -0.03 -1.67 -0.07 0.00 0.00 0.00 0.00 44.72 42.96 1nvm s GLY 192 CO -0.02 -1.74 0.16 1.25 0.00 0.00 0.00 173.10 172.75 1nvm s LYS 193 N -3.18 0.32 -0.01 2.90 2.20 -0.45 -4.84 119.74 116.67 1nvm s LYS 193 Ca 0.22 -0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 55.81 1nvm s LYS 193 Cb -0.05 0.14 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 1nvm s LYS 193 CO 0.10 -0.06 0.02 0.00 -0.36 0.00 0.00 175.35 175.05 1nvm s ALA 194 N -0.51 -0.02 -0.00 3.13 0.00 -1.26 -1.26 121.76 121.84 1nvm s ALA 194 Ca -0.06 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.08 1nvm s ALA 194 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1nvm s ALA 194 CO 0.01 -0.04 -0.19 0.42 0.00 0.00 0.00 175.76 175.97 1nvm s ILE 195 N 0.29 1.48 -0.06 0.00 1.01 0.00 -4.74 121.20 119.17 1nvm s ILE 195 Ca -0.02 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1nvm s ILE 195 Cb -0.03 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.21 1nvm s ILE 195 CO -0.01 0.35 -0.08 -0.51 0.00 0.00 0.00 174.94 174.70 1nvm s ILE 196 N -0.52 0.80 -0.07 2.92 -1.16 -1.26 -0.96 121.20 120.95 1nvm s ILE 196 Ca 0.07 -0.27 0.04 0.00 -0.51 0.00 0.00 60.65 59.98 1nvm s ILE 196 Cb -0.07 -0.78 -0.00 0.00 0.61 0.00 0.00 42.46 42.21 1nvm s ILE 196 CO -0.00 0.29 -0.20 -0.63 -2.81 0.00 0.00 174.94 171.58 1nvm s ILE 197 N 0.89 1.73 -0.10 2.00 -1.09 -0.21 -4.99 121.20 119.44 1nvm s ILE 197 Ca -0.11 -0.86 -0.03 0.00 -2.23 0.00 0.00 60.65 57.43 1nvm s ILE 197 Cb -0.15 -1.49 -0.03 0.00 -1.58 0.00 0.00 42.46 39.21 1nvm s ILE 197 CO 0.01 0.49 0.01 -0.04 -1.23 0.00 0.00 174.94 174.18 1nvm s MET 198 N 0.17 3.13 -0.10 2.79 -1.94 -1.26 -1.83 119.30 120.26 1nvm s MET 198 Ca -0.10 -0.39 -0.00 0.00 -1.71 0.00 0.00 55.69 53.49 1nvm s MET 198 Cb -0.15 -2.86 0.02 0.00 2.01 0.00 0.00 34.83 33.86 1nvm s MET 198 CO 0.05 0.65 -0.07 1.21 -0.01 0.00 0.00 175.02 176.84 1nvm s ASN 199 N -0.72 2.02 -0.01 3.03 3.84 -0.46 -4.83 114.94 117.82 1nvm s ASN 199 Ca 0.11 -0.27 0.07 0.00 0.21 0.00 0.00 52.86 52.98 1nvm s ASN 199 Cb -0.12 -0.77 0.22 0.00 -0.55 0.00 0.00 41.25 40.03 1nvm s ASN 199 CO 0.02 -0.11 1.13 -0.81 -2.79 0.00 0.00 177.10 174.54 1nvm n PRO 200 N 4.84 1.66 -1.46 0.43 -0.04 -1.26 -1.43 135.00 137.73 1nvm n PRO 200 Ca -0.13 -0.87 -0.37 0.00 -0.04 0.00 0.00 63.50 62.09 1nvm n PRO 200 Cb 0.50 -1.28 0.05 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.19 -0.73 -2.58 0.55 0.00 -1.26 -4.91 120.51 111.77 1nvm n ALA 201 Ca 0.08 -0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1nvm n ALA 201 Cb 0.26 -1.95 -0.09 0.00 0.00 0.00 0.00 19.45 17.67 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 -2.56 2.06 0.06 0.00 0.41 -1.26 -3.24 118.70 114.18 1nvm s GLU 202 Ca 0.71 -1.43 -0.07 0.00 -0.41 0.00 0.00 54.97 53.77 1nvm s GLU 202 Cb -0.40 -2.08 -0.04 0.00 -1.78 0.00 0.00 34.13 29.83 1nvm s GLU 202 CO 0.52 0.39 0.11 -0.35 -0.49 0.00 0.00 175.26 175.44 1nvm n PRO 203 N -0.44 0.00 -1.70 0.39 -0.04 -1.26 -5.06 135.00 126.88 1nvm n PRO 203 Ca -0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 1nvm n PRO 203 Cb 0.58 -0.25 0.01 0.00 -0.04 0.00 0.00 33.50 33.79 1nvm n PRO 203 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1nvm n PRO 204 N 0.27 2.03 -2.88 0.54 -0.02 -1.20 -4.95 135.00 128.79 1nvm n PRO 204 Ca 0.04 0.72 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 1nvm n PRO 204 Cb 0.07 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.11 1nvm n PRO 204 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nvm s LEU 205 N -1.49 4.53 0.44 2.45 1.43 -1.26 -4.87 118.68 119.90 1nvm s LEU 205 Ca 0.59 1.75 -0.25 0.00 -1.03 0.00 0.00 54.13 55.19 1nvm s LEU 205 Cb -0.52 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.04 1nvm s LEU 205 CO 0.60 0.12 1.36 -0.51 0.23 0.00 0.00 176.35 178.14 1nvm s ILE 206 N -1.30 2.33 0.35 -0.59 2.07 -1.26 -3.82 121.20 118.97 1nvm s ILE 206 Ca 0.41 0.29 -0.29 0.00 -1.41 0.00 0.00 60.65 59.66 1nvm s ILE 206 Cb -0.22 -3.17 -0.11 0.00 0.13 0.00 0.00 42.46 39.09 1nvm s ILE 206 CO 0.27 0.04 1.46 -0.32 -1.91 0.00 0.00 174.94 174.48 1nvm s MET 207 N -2.42 4.17 0.05 3.50 -2.45 -0.99 -4.81 119.30 116.35 1nvm s MET 207 Ca 0.60 2.48 0.07 0.00 -1.25 0.00 0.00 55.69 57.59 1nvm s MET 207 Cb -0.41 -3.01 -0.03 0.00 1.25 0.00 0.00 34.83 32.64 1nvm s MET 207 CO 0.52 -0.47 -0.20 1.03 1.05 0.00 0.00 175.02 176.95 1nvm s ARG 208 N -1.68 1.33 -0.03 4.11 1.81 -0.62 -1.92 118.95 121.94 1nvm s ARG 208 Ca 0.54 -0.94 0.01 0.00 -1.72 0.00 0.00 55.73 53.62 1nvm s ARG 208 Cb -0.45 -1.45 0.02 0.00 -0.45 0.00 0.00 34.95 32.62 1nvm s ARG 208 CO 0.57 0.37 -0.03 -0.51 -0.68 0.00 0.00 175.30 175.03 1nvm s ASP 209 N -1.22 0.66 -0.09 0.23 1.11 -0.97 -1.04 116.67 115.35 1nvm s ASP 209 Ca 0.07 -0.08 0.04 0.00 0.18 0.00 0.00 52.55 52.76 1nvm s ASP 209 Cb -0.09 -0.31 -0.00 0.00 1.07 0.00 0.00 42.92 43.59 1nvm s ASP 209 CO 0.02 -0.06 -0.24 -0.89 1.18 0.00 0.00 175.17 175.18 1nvm s THR 210 N 0.83 2.09 -0.15 -1.27 2.01 -0.18 -0.45 115.64 118.52 1nvm s THR 210 Ca -0.10 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1nvm s THR 210 Cb -0.13 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.60 1nvm s THR 210 CO -0.01 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.61 1nvm s VAL 211 N 0.22 2.30 -0.20 3.82 1.01 0.24 -1.31 120.40 126.48 1nvm s VAL 211 Ca -0.15 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 1nvm s VAL 211 Cb -0.17 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1nvm s VAL 211 CO 0.08 0.53 -0.08 -0.31 0.00 0.00 0.00 175.10 175.32 1nvm s TYR 212 N 0.89 2.91 -0.13 5.22 2.02 0.46 -0.00 117.35 128.72 1nvm s TYR 212 Ca -0.05 -0.96 0.01 0.00 -0.37 0.00 0.00 57.07 55.71 1nvm s TYR 212 Cb -0.15 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1nvm s TYR 212 CO -0.03 -0.51 -0.16 0.08 -1.57 0.00 0.00 175.55 173.36 1nvm s VAL 213 N 1.23 1.63 -0.36 0.71 1.01 0.07 -0.67 120.40 124.03 1nvm s VAL 213 Ca 0.03 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1nvm s VAL 213 Cb -0.14 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.75 1nvm s VAL 213 CO -0.03 0.47 0.21 -0.22 0.00 0.00 0.00 175.10 175.53 1nvm s LEU 214 N 1.09 4.57 0.45 3.92 2.96 0.05 -0.86 118.68 130.87 1nvm s LEU 214 Ca -0.03 -0.74 0.04 0.00 -0.22 0.00 0.00 54.13 53.18 1nvm s LEU 214 Cb -0.14 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 1nvm s LEU 214 CO -0.04 -0.31 0.01 -0.94 -1.32 0.00 0.00 176.35 173.74 1nvm s SER 215 N 1.62 3.93 1.05 3.68 1.04 0.08 -0.36 113.70 124.75 1nvm s SER 215 Ca 0.04 -1.50 -0.12 0.00 0.48 0.00 0.00 55.95 54.85 1nvm s SER 215 Cb -0.18 0.03 0.22 0.00 0.10 0.00 0.00 66.02 66.19 1nvm s SER 215 CO 0.08 -0.64 1.07 0.00 0.98 0.00 0.00 173.24 174.73 1nvm s ALA 216 N -2.81 0.45 0.21 5.32 0.00 -0.06 -0.92 121.76 123.95 1nvm s ALA 216 Ca 0.22 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.67 1nvm s ALA 216 Cb 0.06 -3.19 -0.15 0.00 0.00 0.00 0.00 23.12 19.84 1nvm s ALA 216 CO 0.11 -3.20 1.16 0.00 0.00 0.00 0.00 175.76 173.83 1nvm n ALA 217 N -4.46 -0.38 -3.14 0.00 0.00 -1.26 -3.85 120.51 107.42 1nvm n ALA 217 Ca 0.05 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.82 1nvm n ALA 217 Cb 0.56 -2.06 -0.04 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.36 -1.06 -0.21 0.00 0.00 -1.26 -4.96 121.76 113.91 1nvm s ALA 218 Ca 0.69 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 1nvm s ALA 218 Cb -0.79 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1nvm s ALA 218 CO 0.53 -0.70 1.35 0.34 0.00 0.00 0.00 175.76 177.29 1nvm s ASP 219 N -2.81 6.76 0.21 0.00 2.15 -1.26 -4.91 116.67 116.80 1nvm s ASP 219 Ca 0.04 1.56 -0.10 0.00 0.43 0.00 0.00 52.55 54.48 1nvm s ASP 219 Cb 0.01 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.25 1nvm s ASP 219 CO -0.10 -0.95 1.88 1.56 -0.17 0.00 0.00 175.17 177.39 1nvm h GLN 220 N 9.01 1.00 -0.85 4.34 4.20 -1.99 -1.24 115.11 129.58 1nvm h GLN 220 Ca -0.28 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 1nvm h GLN 220 Cb 1.11 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.63 1nvm h GLN 220 CO 0.99 0.67 0.53 0.00 -0.67 0.00 0.00 178.83 180.34 1nvm h ALA 221 N 1.27 1.08 -0.50 3.87 0.00 -1.99 -0.20 119.26 122.80 1nvm h ALA 221 Ca 0.28 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1nvm h ALA 221 Cb -0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.32 1nvm h ALA 221 CO -0.06 0.53 0.07 0.00 0.00 0.00 0.00 179.25 179.79 1nvm h ALA 222 N 1.29 0.66 -0.43 0.00 0.00 -1.75 -1.17 119.26 117.86 1nvm h ALA 222 Ca 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nvm h ALA 222 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1nvm h ALA 222 CO -0.06 0.40 0.20 0.28 0.00 0.00 0.00 179.25 180.07 1nvm h VAL 223 N 0.70 1.18 -0.82 0.00 2.07 -0.89 -1.30 116.25 117.21 1nvm h VAL 223 Ca 0.15 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1nvm h VAL 223 Cb 0.41 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1nvm h VAL 223 CO 0.01 0.20 0.42 0.00 0.02 0.00 0.00 177.57 178.23 1nvm h ALA 224 N 1.05 1.21 -0.24 1.67 0.00 -0.90 -0.51 119.26 121.54 1nvm h ALA 224 Ca 0.15 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1nvm h ALA 224 Cb 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1nvm h ALA 224 CO -0.02 0.62 -0.43 0.00 0.00 0.00 0.00 179.25 179.43 1nvm h ALA 225 N 1.32 0.81 -0.54 0.00 0.00 -1.04 -1.20 119.26 118.60 1nvm h ALA 225 Ca 0.29 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1nvm h ALA 225 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1nvm h ALA 225 CO -0.04 0.65 -0.05 1.03 0.00 0.00 0.00 179.25 180.84 1nvm h SER 226 N 0.48 0.98 -0.04 0.00 0.87 -0.85 -1.33 113.55 113.66 1nvm h SER 226 Ca 0.04 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1nvm h SER 226 Cb 0.94 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1nvm h SER 226 CO 0.08 1.07 0.02 0.58 -0.53 0.00 0.00 176.83 178.06 1nvm h VAL 227 N 0.86 1.03 -0.99 2.23 2.07 -0.94 -1.72 116.25 118.79 1nvm h VAL 227 Ca 0.15 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.67 1nvm h VAL 227 Cb 0.60 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1nvm h VAL 227 CO 0.04 0.02 0.64 0.00 0.02 0.00 0.00 177.57 178.29 1nvm h ALA 228 N 0.99 1.40 -0.63 1.67 0.00 -1.06 0.10 119.26 121.73 1nvm h ALA 228 Ca 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1nvm h ALA 228 Cb 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1nvm h ALA 228 CO -0.00 0.40 0.12 1.49 0.00 0.00 0.00 179.25 181.26 1nvm h GLU 229 N 1.14 1.03 -0.44 0.00 4.22 -1.00 -1.83 114.58 117.70 1nvm h GLU 229 Ca 0.44 -0.27 -0.10 0.00 0.08 0.00 0.00 59.36 59.51 1nvm h GLU 229 Cb 0.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1nvm h GLU 229 CO -0.19 0.95 -0.11 1.98 -2.18 0.00 0.00 179.01 179.46 1nvm h MET 230 N 0.95 0.85 -0.66 1.92 4.05 -0.33 -1.49 114.93 120.22 1nvm h MET 230 Ca 0.19 -0.33 0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1nvm h MET 230 Cb 0.41 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 1nvm h MET 230 CO 0.01 0.96 0.38 0.28 0.23 0.00 0.00 176.91 178.77 1nvm h VAL 231 N 0.68 1.00 -0.97 -5.77 2.07 -0.69 -0.52 116.25 112.04 1nvm h VAL 231 Ca 0.11 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1nvm h VAL 231 Cb 0.65 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1nvm h VAL 231 CO 0.04 0.13 0.64 -0.61 0.02 0.00 0.00 177.57 177.79 1nvm h GLN 232 N 0.71 1.23 -0.17 1.57 4.15 -1.04 -0.78 115.11 120.78 1nvm h GLN 232 Ca 0.29 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 1nvm h GLN 232 Cb 0.14 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1nvm h GLN 232 CO -0.16 0.81 0.02 0.00 -1.93 0.00 0.00 178.83 177.57 1nvm h ALA 233 N 1.38 0.22 -0.49 3.38 0.00 -0.41 -2.85 119.26 120.50 1nvm h ALA 233 Ca 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1nvm h ALA 233 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1nvm h ALA 233 CO -0.10 -0.10 0.16 0.28 0.00 0.00 0.00 179.25 179.48 1nvm h VAL 234 N 0.06 1.20 0.00 0.00 2.07 -0.89 -2.62 116.25 116.06 1nvm h VAL 234 Ca 0.05 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1nvm h VAL 234 Cb 0.33 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1nvm h VAL 234 CO 0.00 0.25 -0.01 1.56 0.02 0.00 0.00 177.57 179.39 1nvm h GLN 235 N 0.70 0.00 0.00 1.57 4.20 -0.91 0.23 115.11 120.91 1nvm h GLN 235 Ca 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1nvm h GLN 235 Cb 0.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1nvm h GLN 235 CO -0.01 0.01 -0.07 0.00 -0.67 0.00 0.00 178.83 178.09 1nvm h ALA 236 N 1.99 1.13 0.00 3.87 0.00 -1.36 -3.06 119.26 121.83 1nvm h ALA 236 Ca -0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 54.91 54.46 1nvm h ALA 236 Cb 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1nvm h ALA 236 CO 0.00 0.08 -2.37 0.66 0.00 0.00 0.00 179.25 177.63 1nvm n TYR 237 N -3.36 0.00 -3.82 0.00 4.01 -0.27 -4.88 117.16 108.84 1nvm n TYR 237 Ca -0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.43 1nvm n TYR 237 Cb 0.23 -0.90 -0.14 0.00 -0.31 0.00 0.00 39.34 38.21 1nvm n TYR 237 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1nvm s VAL 238 N -2.46 1.56 0.52 -0.72 1.01 -0.09 -4.96 120.40 115.25 1nvm s VAL 238 Ca -0.33 -2.20 0.20 0.00 0.00 0.00 0.00 61.98 59.64 1nvm s VAL 238 Cb 0.11 -2.13 0.33 0.00 0.00 0.00 0.00 36.38 34.69 1nvm s VAL 238 CO 0.49 -0.74 2.07 -0.65 0.00 0.00 0.00 175.10 176.27 1nvm h PRO 239 N 7.37 0.04 -0.13 2.72 0.11 -1.80 -2.19 132.00 138.11 1nvm h PRO 239 Ca -0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1nvm h PRO 239 Cb 0.97 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1nvm h PRO 239 CO 0.51 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 1nvm n GLY 240 N -1.58 -0.20 3.69 -0.55 0.00 -1.24 -4.81 105.19 100.50 1nvm n GLY 240 Ca 0.03 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.83 3.52 0.13 1.61 6.14 -0.82 -1.28 117.35 124.81 1nvm s TYR 241 Ca 0.25 1.56 -0.24 0.00 0.64 0.00 0.00 57.07 59.28 1nvm s TYR 241 Cb 0.13 -3.15 0.07 0.00 0.42 0.00 0.00 41.96 39.43 1nvm s TYR 241 CO 0.20 -0.19 0.63 -0.98 0.64 0.00 0.00 175.55 175.84 1nvm s ARG 242 N 1.88 1.22 0.36 4.97 1.70 -0.74 -4.76 118.95 123.59 1nvm s ARG 242 Ca 0.47 -0.38 -0.27 0.00 -0.47 0.00 0.00 55.73 55.08 1nvm s ARG 242 Cb -0.18 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.66 1nvm s ARG 242 CO 0.18 -0.52 1.30 -0.51 -1.08 0.00 0.00 175.30 174.67 1nvm s LEU 243 N -2.57 4.33 0.02 -1.89 1.43 -1.26 -1.34 118.68 117.40 1nvm s LEU 243 Ca 0.00 2.65 0.21 0.00 -1.03 0.00 0.00 54.13 55.96 1nvm s LEU 243 Cb -0.01 -3.77 -0.20 0.00 0.03 0.00 0.00 46.19 42.24 1nvm s LEU 243 CO -0.10 -0.67 0.63 1.17 0.23 0.00 0.00 176.35 177.61 1nvm n LYS 244 N 0.49 0.64 -4.08 1.70 3.00 0.23 -4.77 118.16 115.37 1nvm n LYS 244 Ca 0.02 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.31 58.24 1nvm n LYS 244 Cb 0.43 -1.65 -0.10 0.00 0.00 0.00 0.00 35.03 33.71 1nvm n LYS 244 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1nvm s GLN 245 N -3.22 0.77 0.71 1.64 -1.52 -1.20 -5.06 119.66 111.77 1nvm s GLN 245 Ca -0.05 -1.27 -0.14 0.00 -1.95 0.00 0.00 55.36 51.95 1nvm s GLN 245 Cb 0.11 0.24 0.02 0.00 -0.22 0.00 0.00 33.01 33.16 1nvm s GLN 245 CO 0.85 -0.19 1.12 -0.65 -0.25 0.00 0.00 175.29 176.17 1nvm s GLN 246 N -3.96 2.50 0.30 2.91 -1.52 -1.26 -4.60 119.66 114.03 1nvm s GLN 246 Ca 0.13 1.40 -0.30 0.00 -1.95 0.00 0.00 55.36 54.65 1nvm s GLN 246 Cb 0.07 -1.91 -0.11 0.00 -0.22 0.00 0.00 33.01 30.84 1nvm s GLN 246 CO -0.06 -1.48 1.56 0.08 -0.25 0.00 0.00 175.29 175.14 1nvm s VAL 247 N -2.42 2.14 0.01 1.09 1.01 -1.26 -4.79 120.40 116.18 1nvm s VAL 247 Ca 0.67 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.78 1nvm s VAL 247 Cb -0.21 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1nvm s VAL 247 CO 0.46 0.02 0.04 -1.10 0.00 0.00 0.00 175.10 174.52 1nvm s GLN 248 N -0.64 2.89 0.04 2.72 -1.52 -0.66 -4.96 119.66 117.54 1nvm s GLN 248 Ca 0.62 -0.58 0.04 0.00 -1.95 0.00 0.00 55.36 53.50 1nvm s GLN 248 Cb -0.47 -2.74 -0.02 0.00 -0.22 0.00 0.00 33.01 29.56 1nvm s GLN 248 CO 0.49 0.63 -0.13 -0.06 -0.25 0.00 0.00 175.29 175.96 1nvm s PHE 249 N -1.16 1.15 -0.06 0.91 0.08 -1.26 -0.61 117.98 117.02 1nvm s PHE 249 Ca 0.22 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.90 1nvm s PHE 249 Cb -0.12 -0.68 0.03 0.00 -0.57 0.00 0.00 43.02 41.68 1nvm s PHE 249 CO 0.13 0.02 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.75 1nvm s ASP 250 N -1.15 1.39 0.17 1.36 1.01 -0.04 -4.99 116.67 114.42 1nvm s ASP 250 Ca 0.00 -0.09 -0.29 0.00 0.71 0.00 0.00 52.55 52.89 1nvm s ASP 250 Cb -0.08 -0.44 -0.07 0.00 1.01 0.00 0.00 42.92 43.34 1nvm s ASP 250 CO 0.01 -0.16 0.90 -0.69 0.21 0.00 0.00 175.17 175.44 1nvm s VAL 251 N 1.69 4.32 -0.34 -1.27 1.01 -1.26 -0.74 120.40 123.82 1nvm s VAL 251 Ca 0.01 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1nvm s VAL 251 Cb -0.13 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.07 1nvm s VAL 251 CO -0.04 0.44 0.07 -0.63 0.00 0.00 0.00 175.10 174.93 1nvm s ILE 252 N -0.71 2.79 0.55 2.22 1.01 -0.43 -4.94 121.20 121.70 1nvm s ILE 252 Ca 0.42 -1.89 -0.19 0.00 0.00 0.00 0.00 60.65 58.98 1nvm s ILE 252 Cb -0.24 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 1nvm s ILE 252 CO 0.29 -0.42 1.13 -2.16 0.00 0.00 0.00 174.94 173.78 1nvm s PRO 253 N 1.10 3.31 0.58 2.79 0.05 -1.26 -1.07 135.00 140.50 1nvm s PRO 253 Ca 0.03 1.59 0.36 0.00 0.05 0.00 0.00 61.00 63.03 1nvm s PRO 253 Cb -0.21 -2.00 1.70 0.00 0.05 0.00 0.00 34.50 34.04 1nvm s PRO 253 CO -0.04 -0.88 2.12 1.49 0.05 0.00 0.00 177.00 179.73 1nvm h GLU 254 N 1.10 0.00 0.00 4.56 4.57 -1.95 -1.14 114.58 121.72 1nvm h GLU 254 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1nvm h GLU 254 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1nvm h GLU 254 CO 0.57 0.03 0.00 -1.13 -1.18 0.00 0.00 179.01 177.30 1nvm n SER 255 N -3.21 0.00 -2.91 1.04 3.41 -1.26 -4.10 113.62 106.59 1nvm n SER 255 Ca -0.01 0.30 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 1nvm n SER 255 Cb 0.22 -0.42 0.01 0.00 -0.26 0.00 0.00 64.21 63.76 1nvm n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nvm n ALA 256 N -1.42 -0.06 -1.49 7.33 0.00 -0.44 -5.15 120.51 119.28 1nvm n ALA 256 Ca 0.08 -2.10 -0.31 0.00 0.00 0.00 0.00 53.44 51.11 1nvm n ALA 256 Cb 0.25 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.61 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 0.04 2.65 -0.25 0.00 0.04 -1.17 -4.31 135.00 132.01 1nvm s PRO 257 Ca 0.33 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 1nvm s PRO 257 Cb 0.21 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1nvm s PRO 257 CO -0.20 -1.30 0.38 -1.17 0.04 0.00 0.00 177.00 174.74 1nvm s LEU 258 N -5.67 4.08 -0.25 -3.56 2.96 0.62 -4.82 118.68 112.04 1nvm s LEU 258 Ca 0.59 0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 54.61 1nvm s LEU 258 Cb -0.15 -2.45 -0.00 0.00 0.50 0.00 0.00 46.19 44.09 1nvm s LEU 258 CO 0.55 -0.15 0.88 0.21 -1.32 0.00 0.00 176.35 176.53 1nvm s ASN 259 N 1.42 6.88 -0.32 3.68 3.84 -1.26 -0.93 114.94 128.25 1nvm s ASN 259 Ca 0.16 1.09 -0.04 0.00 0.21 0.00 0.00 52.86 54.29 1nvm s ASN 259 Cb -0.15 -2.46 0.05 0.00 -0.55 0.00 0.00 41.25 38.14 1nvm s ASN 259 CO 0.09 -0.57 0.05 -0.63 -2.79 0.00 0.00 177.10 173.26 1nvm s ILE 260 N 2.95 3.30 0.01 -5.21 1.01 -0.18 -5.02 121.20 118.06 1nvm s ILE 260 Ca 0.37 -1.34 -0.32 0.00 0.00 0.00 0.00 60.65 59.36 1nvm s ILE 260 Cb -0.15 -2.91 -0.10 0.00 0.01 0.00 0.00 42.46 39.30 1nvm s ILE 260 CO 0.08 -0.17 1.91 -0.81 0.00 0.00 0.00 174.94 175.94 1nvm n PRO 261 N 4.69 2.59 -0.35 2.79 -0.04 -1.26 -1.17 135.00 142.24 1nvm n PRO 261 Ca -0.12 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1nvm n PRO 261 Cb 0.44 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 4.40 2.27 0.49 0.55 0.00 -1.26 -4.82 105.19 106.83 1nvm n GLY 262 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 1.17 0.00 0.99 7.94 -0.32 -5.14 117.00 121.65 1nvm n LEU 263 Ca 0.00 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1nvm n LEU 263 Cb 0.00 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.46 1nvm n LEU 263 CO 0.00 0.31 0.00 0.61 -1.11 0.00 0.00 177.39 177.20 1nvm n GLY 264 N 1.98 -1.70 2.96 -3.96 0.00 -0.74 -5.02 105.19 98.71 1nvm n GLY 264 Ca -0.32 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.81 1.52 0.20 1.61 0.52 -1.26 -1.01 118.95 118.72 1nvm s ARG 265 Ca 0.00 -1.45 0.08 0.00 -0.52 0.00 0.00 55.73 53.84 1nvm s ARG 265 Cb 0.00 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 1nvm s ARG 265 CO 0.00 -0.80 0.01 -0.06 0.02 0.00 0.00 175.30 174.47 1nvm s PHE 266 N 1.16 2.83 0.11 -0.53 0.08 -0.11 -4.83 117.98 116.70 1nvm s PHE 266 Ca 0.03 -0.15 -0.04 0.00 0.12 0.00 0.00 56.93 56.89 1nvm s PHE 266 Cb -0.19 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1nvm s PHE 266 CO -0.10 0.54 0.10 -1.54 -0.10 0.00 0.00 175.22 174.12 1nvm s SER 267 N -3.15 0.28 0.00 1.36 1.04 -1.26 -0.28 113.70 111.69 1nvm s SER 267 Ca 0.29 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1nvm s SER 267 Cb -0.09 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1nvm s SER 267 CO 0.19 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1nvm n GLY 268 N -0.06 0.76 2.88 7.32 0.00 -0.23 -4.46 105.19 111.40 1nvm n GLY 268 Ca -0.10 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 2.01 -0.23 0.99 2.96 -0.09 -1.31 118.68 123.00 1nvm s LEU 269 Ca 0.00 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1nvm s LEU 269 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.64 1nvm s LEU 269 CO 0.00 -0.00 0.00 -0.75 -1.32 0.00 0.00 176.35 174.28 1nvm s LYS 270 N -0.06 3.48 -0.15 1.98 2.20 0.09 -0.74 119.74 126.54 1nvm s LYS 270 Ca -0.00 -0.57 -0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1nvm s LYS 270 Cb -0.01 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1nvm s LYS 270 CO -0.00 -0.20 -0.01 0.99 -0.36 0.00 0.00 175.35 175.77 1nvm s THR 271 N 1.53 4.16 -0.19 3.43 2.01 -0.04 -0.86 115.64 125.67 1nvm s THR 271 Ca 0.06 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1nvm s THR 271 Cb -0.15 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 69.57 1nvm s THR 271 CO -0.01 0.50 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.80 1nvm s SER 272 N 0.15 3.32 -0.13 3.53 0.01 0.22 -0.75 113.70 120.06 1nvm s SER 272 Ca 0.00 -0.75 -0.00 0.00 1.31 0.00 0.00 55.95 56.51 1nvm s SER 272 Cb -0.13 -1.49 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 1nvm s SER 272 CO 0.02 -0.03 -0.13 -0.69 0.41 0.00 0.00 173.24 172.83 1nvm s VAL 273 N 1.26 3.08 -0.37 3.43 1.01 0.99 -1.65 120.40 128.16 1nvm s VAL 273 Ca 0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 1nvm s VAL 273 Cb -0.14 -2.29 0.09 0.00 0.00 0.00 0.00 36.38 34.04 1nvm s VAL 273 CO -0.12 0.53 0.14 -0.36 0.00 0.00 0.00 175.10 175.28 1nvm s PHE 274 N 0.31 3.50 0.26 5.22 0.40 -1.26 -0.59 117.98 125.82 1nvm s PHE 274 Ca -0.10 -2.26 0.06 0.00 -0.60 0.00 0.00 56.93 54.03 1nvm s PHE 274 Cb -0.16 -2.87 -0.03 0.00 0.51 0.00 0.00 43.02 40.48 1nvm s PHE 274 CO 0.05 -0.91 0.29 -0.51 0.70 0.00 0.00 175.22 174.84 1nvm s LEU 275 N 1.17 4.00 0.03 -0.37 1.43 0.41 -0.60 118.68 124.74 1nvm s LEU 275 Ca 0.04 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1nvm s LEU 275 Cb -0.22 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1nvm s LEU 275 CO -0.03 -0.12 -0.08 -1.83 0.23 0.00 0.00 176.35 174.52 1nvm s GLU 276 N -3.94 0.52 -0.25 1.70 -1.05 -0.45 -2.28 118.70 112.95 1nvm s GLU 276 Ca 0.35 -0.62 -0.01 0.00 -0.15 0.00 0.00 54.97 54.54 1nvm s GLU 276 Cb -0.08 -0.35 0.08 0.00 -0.44 0.00 0.00 34.13 33.33 1nvm s GLU 276 CO 0.27 0.07 0.03 0.08 0.95 0.00 0.00 175.26 176.67 1nvm s VAL 277 N -1.04 0.98 -0.06 1.83 1.01 -0.81 -1.79 120.40 120.52 1nvm s VAL 277 Ca -0.06 -1.10 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 1nvm s VAL 277 Cb -0.08 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1nvm s VAL 277 CO 0.00 -0.36 0.57 -0.70 0.00 0.00 0.00 175.10 174.61 1nvm s GLU 278 N 1.61 4.34 0.63 2.72 2.12 -0.40 -3.15 118.70 126.58 1nvm s GLU 278 Ca 0.02 0.65 0.01 0.00 0.36 0.00 0.00 54.97 56.00 1nvm s GLU 278 Cb -0.18 -3.40 0.08 0.00 0.26 0.00 0.00 34.13 30.90 1nvm s GLU 278 CO -0.14 0.22 0.88 0.20 -0.54 0.00 0.00 175.26 175.89 1nvm s GLY 279 N 0.34 1.79 0.00 -1.50 0.00 0.26 -3.69 107.32 104.51 1nvm s GLY 279 Ca 0.30 -1.58 0.30 0.00 0.00 0.00 0.00 44.72 43.74 1nvm s GLY 279 CO 0.15 -1.15 2.04 0.00 0.00 0.00 0.00 173.10 174.14 1nvm n ALA 280 N -2.57 2.64 -3.45 3.20 0.00 -1.26 -4.57 120.51 114.50 1nvm n ALA 280 Ca 0.12 -0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 1nvm n ALA 280 Cb 0.60 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.97 -1.15 -0.07 0.00 0.00 -1.26 -4.91 120.51 112.16 1nvm n ALA 281 Ca 0.18 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 1nvm n ALA 281 Cb 0.21 -4.92 0.00 0.00 0.00 0.00 0.00 19.45 14.75 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 -2.36 0.99 0.00 0.00 3.86 -1.91 -3.43 115.15 112.30 1nvm h HIS 282 Ca -0.51 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.38 1nvm h HIS 282 Cb 1.33 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1nvm h HIS 282 CO 0.45 1.12 0.00 0.98 0.86 0.00 0.00 177.93 181.33 1nvm n TYR 283 N -4.02 -0.02 -2.55 2.45 9.36 -1.26 -5.00 117.16 116.12 1nvm n TYR 283 Ca -0.03 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.97 1nvm n TYR 283 Cb 0.58 0.02 0.07 0.00 -0.63 0.00 0.00 39.34 39.38 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 -5.49 3.10 1.20 2.98 1.43 -1.26 -5.09 118.68 115.54 1nvm s LEU 284 Ca 0.00 -0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 1nvm s LEU 284 Cb 0.00 -2.60 0.28 0.00 0.03 0.00 0.00 46.19 43.91 1nvm s LEU 284 CO 0.00 -1.47 1.07 -2.84 0.23 0.00 0.00 176.35 173.33 1nvm s PRO 285 N -4.98 -1.23 0.63 1.29 0.02 -1.26 -4.06 135.00 125.41 1nvm s PRO 285 Ca 0.61 0.14 0.41 0.00 0.02 0.00 0.00 61.00 62.18 1nvm s PRO 285 Cb -0.09 -1.58 2.12 0.00 0.02 0.00 0.00 34.50 34.97 1nvm s PRO 285 CO 0.41 -3.76 2.27 0.00 -0.33 0.00 0.00 177.00 175.59 1nvm h ALA 286 N -2.62 1.05 0.00 -1.55 0.00 -1.90 -2.35 119.26 111.88 1nvm h ALA 286 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1nvm h ALA 286 Cb 1.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1nvm h ALA 286 CO 0.39 0.01 -0.10 0.10 0.00 0.00 0.00 179.25 179.65 1nvm h TYR 287 N 0.00 0.00 -0.95 0.00 -0.00 -1.89 0.75 116.97 114.88 1nvm h TYR 287 Ca -0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 58.73 58.10 1nvm h TYR 287 Cb 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 36.73 36.74 1nvm h TYR 287 CO 0.00 0.10 1.76 0.00 -0.00 0.00 0.00 178.16 180.02 1nvm n ALA 288 N -2.27 6.75 0.57 0.10 0.00 -0.89 -2.36 120.51 122.41 1nvm n ALA 288 Ca -0.02 -3.58 0.08 0.00 0.00 0.00 0.00 53.44 49.92 1nvm n ALA 288 Cb 0.22 -2.61 0.35 0.00 0.00 0.00 0.00 19.45 17.41 1nvm n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nvm n GLY 289 N 1.68 -1.07 0.22 0.00 0.00 -1.19 -1.12 105.19 103.71 1nvm n GLY 289 Ca 0.59 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.59 1nvm n GLY 289 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1nvm h ASN 290 N 0.00 0.07 0.14 1.61 -0.00 -1.80 -0.27 115.58 115.33 1nvm h ASN 290 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.28 1nvm h ASN 290 Cb 0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.59 1nvm h ASN 290 CO 0.00 0.29 -0.06 -0.07 -0.00 0.00 0.00 177.43 177.59 1nvm h LEU 291 N 0.07 -0.15 -0.64 6.14 3.38 -1.51 -3.32 115.31 119.27 1nvm h LEU 291 Ca 0.01 -0.40 0.12 0.00 0.09 0.00 0.00 57.88 57.71 1nvm h LEU 291 Cb 0.42 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 1nvm h LEU 291 CO 0.03 0.39 0.16 0.44 0.09 0.00 0.00 178.44 179.55 1nvm h ASP 292 N -0.78 0.05 0.10 -0.43 3.32 -1.61 0.21 116.42 117.27 1nvm h ASP 292 Ca -0.02 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1nvm h ASP 292 Cb 0.54 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1nvm h ASP 292 CO 0.03 0.02 -0.08 -0.29 -1.72 0.00 0.00 179.24 177.20 1nvm h ILE 293 N 0.29 0.98 0.00 0.35 6.09 -1.16 -0.01 117.51 124.06 1nvm h ILE 293 Ca 0.34 -0.29 -0.11 0.00 -1.37 0.00 0.00 64.86 63.43 1nvm h ILE 293 Cb 0.52 1.16 -0.02 0.00 0.47 0.00 0.00 36.82 38.96 1nvm h ILE 293 CO -0.42 0.08 -0.59 -0.03 -3.07 0.00 0.00 178.15 174.12 1nvm h MET 294 N 0.00 0.01 -0.62 2.19 4.05 -1.43 -3.30 114.93 115.82 1nvm h MET 294 Ca -0.00 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.31 1nvm h MET 294 Cb 0.15 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 1nvm h MET 294 CO 0.01 1.00 0.02 1.79 0.23 0.00 0.00 176.91 179.96 1nvm h THR 295 N -0.99 1.27 -0.52 -0.77 1.35 -0.34 -0.14 112.91 112.77 1nvm h THR 295 Ca -0.16 -1.14 -0.02 0.00 -0.55 0.00 0.00 66.41 64.53 1nvm h THR 295 Cb 1.15 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 68.31 1nvm h THR 295 CO -0.09 0.42 0.23 0.28 -0.25 0.00 0.00 175.52 176.10 1nvm h SER 296 N 0.99 0.67 -0.25 5.36 0.02 -1.21 -0.12 113.55 119.01 1nvm h SER 296 Ca 0.18 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1nvm h SER 296 Cb 0.55 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1nvm h SER 296 CO 0.03 0.59 0.02 0.00 -1.14 0.00 0.00 176.83 176.33 1nvm h ALA 297 N 1.52 0.34 -0.54 3.77 0.00 -1.46 0.06 119.26 122.94 1nvm h ALA 297 Ca 0.18 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1nvm h ALA 297 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1nvm h ALA 297 CO -0.02 0.04 0.11 0.00 0.00 0.00 0.00 179.25 179.38 1nvm h ALA 298 N 0.84 0.71 -0.42 0.00 0.00 -0.75 -2.09 119.26 117.55 1nvm h ALA 298 Ca 0.07 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1nvm h ALA 298 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nvm h ALA 298 CO 0.01 0.43 -0.25 1.25 0.00 0.00 0.00 179.25 180.69 1nvm h LEU 299 N 0.77 0.95 -1.25 0.00 5.85 -1.01 -2.15 115.31 118.48 1nvm h LEU 299 Ca 0.17 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1nvm h LEU 299 Cb 0.37 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1nvm h LEU 299 CO 0.01 1.16 0.38 0.00 -0.34 0.00 0.00 178.44 179.65 1nvm h ALA 300 N 0.82 1.44 -0.04 1.25 0.00 -0.70 0.01 119.26 122.03 1nvm h ALA 300 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nvm h ALA 300 Cb 0.83 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1nvm h ALA 300 CO 0.07 0.48 -0.00 1.15 0.00 0.00 0.00 179.25 180.95 1nvm h THR 301 N 0.90 1.27 -0.19 0.00 2.02 -1.24 -2.19 112.91 113.47 1nvm h THR 301 Ca 0.23 -0.81 -0.11 0.00 0.77 0.00 0.00 66.41 66.49 1nvm h THR 301 Cb -0.01 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1nvm h THR 301 CO -0.04 0.22 -0.36 0.00 0.37 0.00 0.00 175.52 175.71 1nvm h ALA 302 N 0.69 1.03 -0.60 6.16 0.00 -1.23 -1.27 119.26 124.04 1nvm h ALA 302 Ca 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1nvm h ALA 302 Cb 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1nvm h ALA 302 CO 0.00 0.60 0.22 0.93 0.00 0.00 0.00 179.25 181.00 1nvm h GLU 303 N 0.35 0.91 -0.13 0.00 4.39 -1.00 0.10 114.58 119.21 1nvm h GLU 303 Ca 0.04 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.42 1nvm h GLU 303 Cb 0.80 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1nvm h GLU 303 CO 0.06 0.79 -0.54 -0.09 -1.16 0.00 0.00 179.01 178.07 1nvm h ARG 304 N 0.84 0.37 -0.27 2.33 9.65 -1.27 0.27 114.38 126.30 1nvm h ARG 304 Ca 0.20 -0.23 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1nvm h ARG 304 Cb 0.23 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1nvm h ARG 304 CO -0.01 0.82 0.06 0.52 2.80 0.00 0.00 179.97 184.16 1nvm h MET 305 N 0.29 0.43 -0.19 0.20 2.86 -0.97 -1.30 114.93 116.25 1nvm h MET 305 Ca 0.01 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1nvm h MET 305 Cb 1.05 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 1nvm h MET 305 CO 0.09 0.53 0.07 0.00 1.06 0.00 0.00 176.91 178.66 1nvm h ALA 306 N 0.88 0.25 -0.34 6.32 0.00 -0.58 -1.66 119.26 124.15 1nvm h ALA 306 Ca 0.08 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1nvm h ALA 306 Cb 0.29 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1nvm h ALA 306 CO 0.00 -0.14 -0.22 0.37 0.00 0.00 0.00 179.25 179.26 1nvm h GLN 307 N 0.15 -0.17 -0.99 0.00 4.15 -0.41 0.41 115.11 118.25 1nvm h GLN 307 Ca 0.06 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.56 1nvm h GLN 307 Cb 0.19 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.86 1nvm h GLN 307 CO -0.00 -0.11 0.64 0.66 -1.93 0.00 0.00 178.83 178.08 1nvm h SER 308 N -0.18 1.02 0.94 -0.69 4.64 -0.95 -1.04 113.55 117.29 1nvm h SER 308 Ca 0.17 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 1nvm h SER 308 Cb 0.44 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1nvm h SER 308 CO -0.45 0.65 -0.51 0.24 -0.87 0.00 0.00 176.83 175.89 1nvm h MET 309 N 1.16 0.00 0.00 4.77 2.86 -0.30 -3.19 114.93 120.22 1nvm h MET 309 Ca 0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 1nvm h MET 309 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1nvm h MET 309 CO -0.18 0.51 -0.75 1.28 1.06 0.00 0.00 176.91 178.84 1nvm n LEU 310 N -3.51 0.62 -2.77 1.22 4.77 0.03 -4.66 117.00 112.70 1nvm n LEU 310 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1nvm n LEU 310 Cb 0.62 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1nvm n LEU 310 CO 0.39 0.06 0.02 0.59 -1.33 0.00 0.00 177.39 177.13 1nvm n ASN 311 N -1.82 1.40 0.00 -1.43 4.13 -0.45 -5.08 115.26 112.02 1nvm n ASN 311 Ca 0.04 -2.03 0.00 0.00 1.68 0.00 0.00 54.58 54.27 1nvm n ASN 311 Cb 0.40 -0.42 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 1nvm n ASN 311 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54