#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngm n GLY 62 N 0.00 2.81 3.96 0.46 0.00 -1.26 -5.00 105.19 106.16 1ngm n GLY 62 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1ngm n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ngm s ILE 63 N -0.94 5.27 -0.07 -0.61 1.01 -1.26 -5.13 121.20 119.47 1ngm s ILE 63 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 1ngm s ILE 63 Cb 0.00 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.69 1ngm s ILE 63 CO 0.00 -0.26 0.14 0.54 0.00 0.00 0.00 174.94 175.36 1ngm s VAL 64 N -1.92 -0.11 0.34 2.92 0.11 -1.26 -5.06 120.40 115.42 1ngm s VAL 64 Ca 0.35 0.24 -0.28 0.00 -2.93 0.00 0.00 61.98 59.35 1ngm s VAL 64 Cb -0.10 -0.24 -0.10 0.00 -1.53 0.00 0.00 36.38 34.41 1ngm s VAL 64 CO 0.29 0.10 1.32 -2.84 -3.33 0.00 0.00 175.10 170.64 1ngm s PRO 65 N 1.50 4.31 -0.18 1.54 0.02 -1.26 -4.90 135.00 136.02 1ngm s PRO 65 Ca -0.06 2.24 -0.09 0.00 0.02 0.00 0.00 61.00 63.12 1ngm s PRO 65 Cb -0.12 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 1ngm s PRO 65 CO -0.06 -0.24 0.12 0.95 -0.33 0.00 0.00 177.00 177.45 1ngm s THR 66 N -1.15 5.36 -0.02 0.99 -4.23 -0.95 -4.79 115.64 110.86 1ngm s THR 66 Ca 0.50 0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 60.87 1ngm s THR 66 Cb -0.40 -3.41 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 1ngm s THR 66 CO 0.54 0.49 1.36 -0.76 -0.54 0.00 0.00 174.62 175.70 1ngm s LEU 67 N 0.01 4.30 -0.05 4.79 1.43 -1.26 -1.61 118.68 126.29 1ngm s LEU 67 Ca 0.09 2.04 0.16 0.00 -1.03 0.00 0.00 54.13 55.39 1ngm s LEU 67 Cb -0.11 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.31 1ngm s LEU 67 CO -0.00 -0.69 0.28 0.00 0.23 0.00 0.00 176.35 176.16 1ngm n GLN 68 N 5.39 0.75 -3.55 1.70 1.13 0.53 -4.83 117.38 118.50 1ngm n GLN 68 Ca 0.13 -0.11 -0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1ngm n GLN 68 Cb 0.44 -1.38 -0.04 0.00 0.11 0.00 0.00 30.24 29.37 1ngm n GLN 68 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ngm s ASN 69 N -4.10 -0.88 -0.16 1.08 2.47 -1.13 -4.79 114.94 107.43 1ngm s ASN 69 Ca -0.06 1.22 0.01 0.00 0.42 0.00 0.00 52.86 54.44 1ngm s ASN 69 Cb 0.09 1.95 0.02 0.00 -1.45 0.00 0.00 41.25 41.86 1ngm s ASN 69 CO 0.66 -0.17 -0.15 -0.63 -3.72 0.00 0.00 177.10 173.08 1ngm s ILE 70 N 2.59 1.72 -0.28 -5.21 1.01 -0.46 0.15 121.20 120.72 1ngm s ILE 70 Ca -0.05 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 1ngm s ILE 70 Cb -0.09 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1ngm s ILE 70 CO -0.18 0.44 0.13 -0.69 0.00 0.00 0.00 174.94 174.64 1ngm s VAL 71 N 1.42 4.62 0.12 2.92 1.01 0.35 -3.83 120.40 127.00 1ngm s VAL 71 Ca 0.04 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1ngm s VAL 71 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1ngm s VAL 71 CO -0.11 0.19 -0.17 0.00 0.00 0.00 0.00 175.10 175.01 1ngm s ALA 72 N 1.64 1.64 0.15 5.51 0.00 -0.45 -0.43 121.76 129.82 1ngm s ALA 72 Ca 0.06 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1ngm s ALA 72 Cb -0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1ngm s ALA 72 CO 0.06 0.22 0.19 0.99 0.00 0.00 0.00 175.76 177.22 1ngm s THR 73 N -1.67 4.81 -0.24 0.00 2.01 -0.45 0.18 115.64 120.28 1ngm s THR 73 Ca 0.08 -0.90 -0.21 0.00 0.31 0.00 0.00 61.69 60.96 1ngm s THR 73 Cb -0.08 -3.45 0.06 0.00 0.01 0.00 0.00 72.50 69.04 1ngm s THR 73 CO 0.04 -0.08 0.63 0.54 -0.69 0.00 0.00 174.62 175.05 1ngm s VAL 74 N -1.72 -0.00 -0.35 3.82 0.11 -0.89 -0.76 120.40 120.61 1ngm s VAL 74 Ca 0.32 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.25 1ngm s VAL 74 Cb -0.11 -0.87 -0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1ngm s VAL 74 CO 0.25 0.00 0.23 -0.89 -3.33 0.00 0.00 175.10 171.36 1ngm s THR 75 N 0.44 5.03 0.06 5.04 2.01 0.13 -2.18 115.64 126.16 1ngm s THR 75 Ca -0.01 -0.43 0.21 0.00 0.31 0.00 0.00 61.69 61.77 1ngm s THR 75 Cb -0.05 -3.65 0.18 0.00 0.01 0.00 0.00 72.50 69.00 1ngm s THR 75 CO -0.01 -0.08 1.72 -0.07 -0.69 0.00 0.00 174.62 175.49 1ngm h LEU 76 N 8.48 0.00 0.00 4.42 3.38 -1.51 -3.10 115.31 126.98 1ngm h LEU 76 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ngm h LEU 76 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1ngm h LEU 76 CO 0.65 0.30 0.00 0.61 0.09 0.00 0.00 178.44 180.09 1ngm n GLY 77 N 0.43 2.89 3.91 0.83 0.00 -1.26 0.31 105.19 112.30 1ngm n GLY 77 Ca 0.01 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1ngm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm s ARG 79 N -3.84 2.06 0.01 0.00 6.06 -1.19 -3.79 118.95 118.26 1ngm s ARG 79 Ca 0.45 1.53 0.01 0.00 -2.50 0.00 0.00 55.73 55.21 1ngm s ARG 79 Cb -0.10 -1.85 -0.01 0.00 0.06 0.00 0.00 34.95 33.05 1ngm s ARG 79 CO 0.33 -1.85 -0.03 -0.51 -2.50 0.00 0.00 175.30 170.73 1ngm s LEU 80 N -5.55 2.11 -0.79 -0.88 1.43 -0.30 -4.89 118.68 109.81 1ngm s LEU 80 Ca 0.69 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 1ngm s LEU 80 Cb -0.24 -0.07 0.18 0.00 0.03 0.00 0.00 46.19 46.09 1ngm s LEU 80 CO 0.49 -0.10 0.81 -0.62 0.23 0.00 0.00 176.35 177.16 1ngm s ASP 81 N -0.69 6.60 0.28 2.29 3.68 -1.26 -4.67 116.67 122.90 1ngm s ASP 81 Ca -0.05 -2.31 -0.01 0.00 2.13 0.00 0.00 52.55 52.31 1ngm s ASP 81 Cb -0.05 -2.26 0.63 0.00 -1.45 0.00 0.00 42.92 39.79 1ngm s ASP 81 CO -0.00 -0.77 1.64 -0.07 0.13 0.00 0.00 175.17 176.10 1ngm h LEU 82 N 8.72 -0.11 -0.52 -1.34 3.38 -1.94 0.25 115.31 123.75 1ngm h LEU 82 Ca 0.03 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1ngm h LEU 82 Cb 1.05 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 1ngm h LEU 82 CO 0.90 -0.16 0.22 0.50 0.09 0.00 0.00 178.44 179.99 1ngm h LYS 83 N 0.18 0.41 -0.07 1.13 3.64 -1.99 0.33 116.57 120.21 1ngm h LYS 83 Ca 0.51 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1ngm h LYS 83 Cb 0.99 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1ngm h LYS 83 CO -0.66 0.27 0.04 1.15 -2.27 0.00 0.00 179.45 177.98 1ngm h THR 84 N 0.42 1.04 -0.14 1.00 2.02 -0.95 -1.15 112.91 115.16 1ngm h THR 84 Ca 0.24 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.25 1ngm h THR 84 Cb 0.23 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1ngm h THR 84 CO -0.22 0.04 -0.25 -0.37 0.37 0.00 0.00 175.52 175.09 1ngm h VAL 85 N 0.06 1.24 -0.08 3.16 -1.51 -0.94 -2.12 116.25 116.06 1ngm h VAL 85 Ca 0.02 -1.11 -0.03 0.00 -1.23 0.00 0.00 66.70 64.35 1ngm h VAL 85 Cb 0.02 1.40 -0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1ngm h VAL 85 CO -0.00 0.34 -0.08 0.00 -1.23 0.00 0.00 177.57 176.59 1ngm h ALA 86 N 1.52 0.11 0.00 5.19 0.00 -0.02 -1.92 119.26 124.14 1ngm h ALA 86 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ngm h ALA 86 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ngm h ALA 86 CO 0.04 -0.06 0.00 -0.07 0.00 0.00 0.00 179.25 179.16 1ngm h LEU 87 N -0.24 0.00 0.00 0.00 3.38 -1.06 -3.22 115.31 114.17 1ngm h LEU 87 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1ngm h LEU 87 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1ngm h LEU 87 CO 0.02 0.00 -1.78 1.41 0.09 0.00 0.00 178.44 178.18 1ngm n HIS 88 N -2.36 0.00 0.00 1.13 8.25 -0.81 -4.96 115.22 116.46 1ngm n HIS 88 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1ngm n HIS 88 Cb 0.18 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.85 1ngm n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ngm n ALA 89 N -2.17 0.00 0.00 -1.41 0.00 -0.74 -5.06 120.51 111.13 1ngm n ALA 89 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ngm n ALA 89 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1ngm n ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ngm n ARG 90 N 0.00 0.00 -2.73 0.00 0.63 -1.26 -4.91 116.66 108.39 1ngm n ARG 90 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 1ngm n ARG 90 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1ngm n ARG 90 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ngm n ASN 91 N -2.26 5.59 -4.45 6.15 3.02 -1.26 -5.00 115.26 117.05 1ngm n ASN 91 Ca 0.00 -3.70 -0.38 0.00 -0.03 0.00 0.00 54.58 50.46 1ngm n ASN 91 Cb 0.00 -0.77 -0.12 0.00 -0.61 0.00 0.00 39.78 38.29 1ngm n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ngm s ALA 92 N -3.78 3.28 -0.13 5.41 0.00 -1.26 -2.68 121.76 122.59 1ngm s ALA 92 Ca 0.46 -1.32 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 1ngm s ALA 92 Cb 0.28 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1ngm s ALA 92 CO -0.16 -0.80 0.45 -2.00 0.00 0.00 0.00 175.76 173.25 1ngm s GLU 93 N 1.63 4.32 -0.16 0.00 2.12 0.20 -4.94 118.70 121.86 1ngm s GLU 93 Ca 0.05 0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.73 1ngm s GLU 93 Cb -0.17 -3.45 0.08 0.00 0.26 0.00 0.00 34.13 30.85 1ngm s GLU 93 CO 0.06 0.14 0.24 -0.47 -0.54 0.00 0.00 175.26 174.69 1ngm s TYR 94 N 0.70 -0.35 -0.35 5.30 5.04 -1.26 -0.02 117.35 126.41 1ngm s TYR 94 Ca 0.24 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 55.50 1ngm s TYR 94 Cb -0.15 -0.20 0.14 0.00 0.35 0.00 0.00 41.96 42.11 1ngm s TYR 94 CO 0.09 -0.46 0.24 1.21 -1.34 0.00 0.00 175.55 175.30 1ngm s ASN 95 N 2.37 2.62 0.21 4.32 3.84 -1.26 -5.05 114.94 121.99 1ngm s ASN 95 Ca 0.04 -1.99 -0.15 0.00 0.21 0.00 0.00 52.86 50.97 1ngm s ASN 95 Cb -0.14 -0.18 0.23 0.00 -0.55 0.00 0.00 41.25 40.61 1ngm s ASN 95 CO -0.10 -0.31 1.60 -0.65 -2.79 0.00 0.00 177.10 174.85 1ngm h PRO 96 N 7.13 -0.05 -0.28 0.43 0.11 -1.94 -0.05 132.00 137.34 1ngm h PRO 96 Ca 0.04 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.07 1ngm h PRO 96 Cb 0.99 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1ngm h PRO 96 CO 0.26 -0.04 -0.20 0.87 -0.21 0.00 0.00 178.00 178.69 1ngm h LYS 97 N -0.06 0.51 0.64 1.05 1.57 -2.02 -3.14 116.57 115.12 1ngm h LYS 97 Ca 0.31 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1ngm h LYS 97 Cb 0.54 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1ngm h LYS 97 CO -0.73 0.69 -0.31 -0.09 -0.57 0.00 0.00 179.45 178.44 1ngm h ARG 98 N 0.46 -0.83 -2.20 3.15 1.12 -1.66 -3.47 114.38 110.96 1ngm h ARG 98 Ca 0.08 0.06 -0.06 0.00 -1.11 0.00 0.00 59.98 58.95 1ngm h ARG 98 Cb 0.60 0.19 -0.22 0.00 -0.01 0.00 0.00 29.97 30.53 1ngm h ARG 98 CO 0.04 -0.55 0.02 0.12 -3.11 0.00 0.00 179.97 176.49 1ngm s PHE 99 N -4.38 -0.73 -0.75 2.20 5.36 -0.16 -5.07 117.98 114.45 1ngm s PHE 99 Ca -0.13 1.73 -0.04 0.00 -0.96 0.00 0.00 56.93 57.54 1ngm s PHE 99 Cb 0.01 0.28 0.10 0.00 -0.34 0.00 0.00 43.02 43.07 1ngm s PHE 99 CO 0.38 -0.36 2.60 0.00 -1.46 0.00 0.00 175.22 176.38 1ngm n ALA 100 N 2.94 6.56 -3.58 11.12 0.00 -1.25 -4.10 120.51 132.20 1ngm n ALA 100 Ca -0.15 -3.46 -0.15 0.00 0.00 0.00 0.00 53.44 49.68 1ngm n ALA 100 Cb 0.56 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 1ngm n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ngm s ALA 101 N -1.72 -1.73 -0.39 0.00 0.00 -1.26 -4.25 121.76 112.41 1ngm s ALA 101 Ca 0.57 1.76 -0.29 0.00 0.00 0.00 0.00 51.96 54.00 1ngm s ALA 101 Cb 0.32 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1ngm s ALA 101 CO -0.19 -0.34 1.11 0.08 0.00 0.00 0.00 175.76 176.41 1ngm s VAL 102 N -0.10 4.37 -0.32 0.00 1.01 0.53 -4.64 120.40 121.25 1ngm s VAL 102 Ca -0.03 1.51 -0.26 0.00 0.00 0.00 0.00 61.98 63.20 1ngm s VAL 102 Cb -0.03 -4.50 0.01 0.00 0.00 0.00 0.00 36.38 31.86 1ngm s VAL 102 CO 0.04 -0.71 0.94 -0.63 0.00 0.00 0.00 175.10 174.73 1ngm s ILE 103 N 4.01 4.63 -0.01 2.22 1.01 0.97 -0.86 121.20 133.17 1ngm s ILE 103 Ca 0.47 1.41 0.04 0.00 0.00 0.00 0.00 60.65 62.57 1ngm s ILE 103 Cb -0.10 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1ngm s ILE 103 CO 0.23 -0.41 -0.12 -0.32 0.00 0.00 0.00 174.94 174.32 1ngm s MET 104 N 3.35 1.02 0.02 2.79 1.75 0.95 0.59 119.30 129.77 1ngm s MET 104 Ca 0.39 -0.42 0.05 0.00 -1.25 0.00 0.00 55.69 54.46 1ngm s MET 104 Cb -0.13 -0.98 -0.02 0.00 2.84 0.00 0.00 34.83 36.55 1ngm s MET 104 CO 0.15 0.23 -0.15 1.03 -0.65 0.00 0.00 175.02 175.64 1ngm s ARG 105 N -0.18 1.04 0.03 4.11 0.52 -1.09 0.10 118.95 123.47 1ngm s ARG 105 Ca 0.03 -0.68 0.07 0.00 -0.52 0.00 0.00 55.73 54.62 1ngm s ARG 105 Cb -0.06 -1.04 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 1ngm s ARG 105 CO -0.00 0.27 -0.19 0.96 0.02 0.00 0.00 175.30 176.35 1ngm s ILE 106 N -0.66 1.55 -2.00 1.52 -0.00 -1.17 -4.69 121.20 115.75 1ngm s ILE 106 Ca 0.03 -1.06 0.10 0.00 -0.00 0.00 0.00 60.65 59.72 1ngm s ILE 106 Cb -0.07 -1.34 0.28 0.00 -0.00 0.00 0.00 42.46 41.33 1ngm s ILE 106 CO 0.01 0.24 1.14 -2.11 -0.00 0.00 0.00 174.94 174.22 1ngm n ARG 107 N 2.07 0.70 -3.15 0.37 -4.01 -1.26 -2.86 116.66 108.52 1ngm n ARG 107 Ca -0.17 0.00 0.05 0.00 -1.04 0.00 0.00 57.85 56.69 1ngm n ARG 107 Cb 0.54 -1.22 -0.01 0.00 -3.04 0.00 0.00 32.46 28.73 1ngm n ARG 107 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 1ngm s GLU 108 N -2.00 0.31 -0.18 2.89 2.02 -1.26 -3.02 118.70 117.46 1ngm s GLU 108 Ca 0.15 0.45 -0.29 0.00 0.02 0.00 0.00 54.97 55.30 1ngm s GLU 108 Cb 0.07 0.24 -0.01 0.00 0.10 0.00 0.00 34.13 34.53 1ngm s GLU 108 CO 0.11 -0.42 1.20 -2.14 0.02 0.00 0.00 175.26 174.04 1ngm s PRO 109 N 2.92 4.24 -0.96 0.39 0.02 -1.26 -4.89 135.00 135.45 1ngm s PRO 109 Ca 0.11 1.58 -0.26 0.00 0.02 0.00 0.00 61.00 62.46 1ngm s PRO 109 Cb -0.09 -3.73 -0.23 0.00 0.02 0.00 0.00 34.50 30.46 1ngm s PRO 109 CO -0.18 -0.69 2.51 1.17 -0.33 0.00 0.00 177.00 179.49 1ngm n LYS 110 N 6.53 0.00 -4.06 5.54 4.81 -1.17 -4.85 118.16 124.96 1ngm n LYS 110 Ca 0.13 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.50 1ngm n LYS 110 Cb 0.45 -1.36 -0.10 0.00 0.02 0.00 0.00 35.03 34.04 1ngm n LYS 110 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1ngm s THR 111 N 7.17 0.19 -0.09 3.15 -4.23 -1.13 -4.35 115.64 116.35 1ngm s THR 111 Ca 1.31 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 60.21 1ngm s THR 111 Cb -1.15 -1.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1ngm s THR 111 CO 0.49 -0.87 0.01 -0.89 -0.54 0.00 0.00 174.62 172.81 1ngm s THR 112 N -3.29 4.38 -0.04 3.99 2.01 -0.12 -3.06 115.64 119.50 1ngm s THR 112 Ca 0.01 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 61.86 1ngm s THR 112 Cb 0.03 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 1ngm s THR 112 CO -0.08 0.60 -0.24 0.00 -0.69 0.00 0.00 174.62 174.22 1ngm s ALA 113 N -0.84 2.04 -0.48 7.40 0.00 0.28 0.16 121.76 130.32 1ngm s ALA 113 Ca 0.13 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 1ngm s ALA 113 Cb -0.11 -0.59 0.07 0.00 0.00 0.00 0.00 23.12 22.48 1ngm s ALA 113 CO 0.02 0.43 0.46 -0.51 0.00 0.00 0.00 175.76 176.16 1ngm s LEU 114 N -0.29 5.47 -0.21 0.00 1.02 0.11 -0.04 118.68 124.75 1ngm s LEU 114 Ca 0.01 -1.23 -0.12 0.00 0.02 0.00 0.00 54.13 52.81 1ngm s LEU 114 Cb -0.12 -2.25 -0.05 0.00 0.02 0.00 0.00 46.19 43.79 1ngm s LEU 114 CO 0.02 -0.71 0.20 -0.63 0.02 0.00 0.00 176.35 175.25 1ngm s ILE 115 N 1.89 5.35 0.03 -0.59 1.01 -0.04 -0.90 121.20 127.95 1ngm s ILE 115 Ca 0.07 0.31 0.02 0.00 0.00 0.00 0.00 60.65 61.05 1ngm s ILE 115 Cb -0.23 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1ngm s ILE 115 CO 0.08 0.37 0.03 -0.36 0.00 0.00 0.00 174.94 175.06 1ngm s PHE 116 N 0.75 3.11 0.07 3.97 0.40 -0.40 -0.35 117.98 125.53 1ngm s PHE 116 Ca 0.11 0.08 -0.13 0.00 -0.60 0.00 0.00 56.93 56.38 1ngm s PHE 116 Cb -0.13 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 1ngm s PHE 116 CO 0.03 0.49 0.98 0.00 0.70 0.00 0.00 175.22 177.42 1ngm n ALA 117 N 1.00 -0.27 -0.80 5.36 0.00 -1.26 -2.01 120.51 122.53 1ngm n ALA 117 Ca -0.12 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ngm n ALA 117 Cb 0.52 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1ngm n ALA 117 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ngm n SER 118 N -3.97 0.00 0.00 0.00 3.41 -1.26 -1.14 113.62 110.65 1ngm n SER 118 Ca 0.01 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1ngm n SER 118 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1ngm n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngm n GLY 119 N -0.42 0.00 3.80 5.00 0.00 -0.85 -1.56 105.19 111.16 1ngm n GLY 119 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ngm n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngm s LYS 120 N 0.00 3.84 -0.15 1.61 -0.14 -1.26 -1.82 119.74 121.83 1ngm s LYS 120 Ca 0.00 1.38 -0.09 0.00 -1.36 0.00 0.00 55.97 55.91 1ngm s LYS 120 Cb 0.00 -2.15 0.05 0.00 -1.68 0.00 0.00 37.83 34.05 1ngm s LYS 120 CO 0.00 -0.40 0.36 1.41 -0.76 0.00 0.00 175.35 175.96 1ngm s MET 121 N -3.14 0.35 -0.11 1.68 -2.45 -0.93 -1.27 119.30 113.43 1ngm s MET 121 Ca 0.66 0.66 -0.05 0.00 -1.25 0.00 0.00 55.69 55.71 1ngm s MET 121 Cb -0.17 -0.00 -0.04 0.00 1.25 0.00 0.00 34.83 35.87 1ngm s MET 121 CO 0.21 -0.14 0.09 0.08 1.05 0.00 0.00 175.02 176.31 1ngm s VAL 122 N 1.12 5.07 -0.16 10.11 1.01 -0.08 -2.09 120.40 135.37 1ngm s VAL 122 Ca -0.08 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1ngm s VAL 122 Cb -0.08 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.16 1ngm s VAL 122 CO -0.09 0.61 -0.06 -0.69 0.00 0.00 0.00 175.10 174.87 1ngm s VAL 123 N -0.97 1.14 0.28 2.92 1.01 0.13 0.10 120.40 125.00 1ngm s VAL 123 Ca 0.14 -0.58 0.11 0.00 0.00 0.00 0.00 61.98 61.65 1ngm s VAL 123 Cb -0.12 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1ngm s VAL 123 CO 0.03 0.19 -0.18 0.42 0.00 0.00 0.00 175.10 175.56 1ngm s THR 124 N 1.63 2.39 0.00 3.92 -4.23 0.12 -1.35 115.64 118.13 1ngm s THR 124 Ca 0.02 -2.37 0.00 0.00 -1.18 0.00 0.00 61.69 58.16 1ngm s THR 124 Cb -0.15 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1ngm s THR 124 CO -0.08 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1ngm n GLY 125 N -0.63 1.58 3.73 3.99 0.00 -1.25 -0.94 105.19 111.67 1ngm n GLY 125 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1ngm n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm s ALA 126 N -2.40 2.18 -0.10 4.61 0.00 -1.25 -4.75 121.76 120.06 1ngm s ALA 126 Ca 0.00 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.81 1ngm s ALA 126 Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 1ngm s ALA 126 CO 0.00 -1.76 -0.02 1.17 0.00 0.00 0.00 175.76 175.15 1ngm n LYS 127 N -2.69 1.73 -4.21 0.00 3.00 -1.26 -1.35 118.16 113.37 1ngm n LYS 127 Ca 0.13 0.02 -0.24 0.00 -0.00 0.00 0.00 58.31 58.22 1ngm n LYS 127 Cb 0.51 -1.22 -0.07 0.00 0.00 0.00 0.00 35.03 34.24 1ngm n LYS 127 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ngm s SER 128 N -4.45 4.48 0.22 3.14 1.04 -1.26 -4.64 113.70 112.22 1ngm s SER 128 Ca -0.08 -0.84 -0.08 0.00 0.48 0.00 0.00 55.95 55.43 1ngm s SER 128 Cb 0.03 -0.67 0.30 0.00 0.10 0.00 0.00 66.02 65.78 1ngm s SER 128 CO 0.32 -0.25 1.80 -0.33 0.98 0.00 0.00 173.24 175.76 1ngm h GLU 129 N 1.68 0.66 -0.00 4.02 3.07 -1.99 -1.87 114.58 120.15 1ngm h GLU 129 Ca -0.43 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1ngm h GLU 129 Cb 1.25 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1ngm h GLU 129 CO 0.64 0.44 -0.76 -0.40 -1.40 0.00 0.00 179.01 177.53 1ngm n ASP 130 N -4.80 0.78 -0.06 1.42 5.68 -1.26 -1.93 116.55 116.39 1ngm n ASP 130 Ca 0.10 -0.66 -0.10 0.00 -0.50 0.00 0.00 54.79 53.63 1ngm n ASP 130 Cb 0.22 0.64 -0.03 0.00 -1.14 0.00 0.00 41.12 40.82 1ngm n ASP 130 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ngm h ASP 131 N 0.04 0.26 -0.07 -1.12 5.19 -1.88 0.29 116.42 119.14 1ngm h ASP 131 Ca 0.00 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1ngm h ASP 131 Cb 0.50 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 1ngm h ASP 131 CO 0.00 0.20 -0.15 -1.28 -3.12 0.00 0.00 179.24 174.89 1ngm h SER 132 N 0.31 -0.48 -0.68 6.45 0.87 -1.04 0.17 113.55 119.15 1ngm h SER 132 Ca 0.08 0.06 0.14 0.00 -1.23 0.00 0.00 61.79 60.84 1ngm h SER 132 Cb -0.03 0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 61.99 1ngm h SER 132 CO -0.02 -0.12 -0.13 0.11 -0.53 0.00 0.00 176.83 176.14 1ngm h LYS 133 N -0.14 0.02 -0.82 2.24 1.57 -1.38 0.29 116.57 118.35 1ngm h LYS 133 Ca 0.01 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1ngm h LYS 133 Cb 0.17 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 1ngm h LYS 133 CO -0.14 0.01 0.50 1.25 -0.57 0.00 0.00 179.45 180.51 1ngm h LEU 134 N 0.02 0.78 -0.11 2.94 7.12 0.05 -0.99 115.31 125.12 1ngm h LEU 134 Ca 0.33 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.34 1ngm h LEU 134 Cb 0.53 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1ngm h LEU 134 CO -0.68 0.50 -0.04 0.00 -0.13 0.00 0.00 178.44 178.09 1ngm h ALA 135 N 1.40 0.16 -0.54 1.25 0.00 0.65 -2.46 119.26 119.71 1ngm h ALA 135 Ca 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ngm h ALA 135 Cb 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1ngm h ALA 135 CO -0.18 -0.09 0.24 0.77 0.00 0.00 0.00 179.25 180.00 1ngm h SER 136 N -0.11 0.70 0.04 0.00 0.02 0.22 -0.03 113.55 114.39 1ngm h SER 136 Ca 0.03 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1ngm h SER 136 Cb 0.47 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1ngm h SER 136 CO 0.01 0.61 -0.02 0.03 -1.14 0.00 0.00 176.83 176.33 1ngm h ARG 137 N 0.77 -0.05 -0.88 3.45 3.08 -1.22 -2.18 114.38 117.35 1ngm h ARG 137 Ca 0.19 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.42 1ngm h ARG 137 Cb 0.11 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.07 1ngm h ARG 137 CO -0.02 0.10 0.44 0.87 -1.07 0.00 0.00 179.97 180.28 1ngm h LYS 138 N -0.18 0.53 0.29 0.04 1.57 -0.54 0.48 116.57 118.75 1ngm h LYS 138 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ngm h LYS 138 Cb 0.17 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1ngm h LYS 138 CO 0.01 0.35 -0.14 1.88 -0.57 0.00 0.00 179.45 180.98 1ngm h TYR 139 N 0.54 -0.36 -0.83 -1.35 0.05 -1.25 -1.62 116.97 112.16 1ngm h TYR 139 Ca 0.52 -0.01 0.19 0.00 0.05 0.00 0.00 58.73 59.47 1ngm h TYR 139 Cb 0.85 0.12 -0.11 0.00 1.01 0.00 0.00 36.73 38.59 1ngm h TYR 139 CO -0.10 -0.05 0.31 0.00 -1.05 0.00 0.00 178.16 177.27 1ngm h ALA 140 N -0.07 1.22 -1.00 3.88 0.00 -0.49 0.69 119.26 123.49 1ngm h ALA 140 Ca -0.04 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1ngm h ALA 140 Cb 0.47 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1ngm h ALA 140 CO 0.06 -0.30 0.65 -0.09 0.00 0.00 0.00 179.25 179.57 1ngm h ARG 141 N 0.38 1.13 -0.30 0.00 9.65 0.08 -1.46 114.38 123.85 1ngm h ARG 141 Ca 0.49 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 59.25 1ngm h ARG 141 Cb 0.86 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1ngm h ARG 141 CO -0.50 0.75 -0.01 0.82 2.80 0.00 0.00 179.97 183.82 1ngm h ILE 142 N 1.16 1.26 0.21 1.20 1.08 0.14 0.75 117.51 123.31 1ngm h ILE 142 Ca 0.44 -0.98 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1ngm h ILE 142 Cb 0.20 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 1ngm h ILE 142 CO -0.18 0.32 -0.14 0.40 -0.69 0.00 0.00 178.15 177.86 1ngm h ILE 143 N 0.33 0.71 -0.61 -0.67 5.03 -0.93 0.37 117.51 121.74 1ngm h ILE 143 Ca 0.08 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.93 1ngm h ILE 143 Cb 0.46 0.71 -0.11 0.00 -3.03 0.00 0.00 36.82 34.85 1ngm h ILE 143 CO 0.02 0.00 -0.37 -0.61 -0.68 0.00 0.00 178.15 176.51 1ngm h GLN 144 N -0.34 -0.17 -0.73 2.37 4.15 -1.20 -1.49 115.11 117.71 1ngm h GLN 144 Ca -0.02 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.50 1ngm h GLN 144 Cb 0.29 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.95 1ngm h GLN 144 CO 0.01 -0.11 0.37 -0.22 -1.93 0.00 0.00 178.83 176.96 1ngm h LYS 145 N -0.17 0.62 -0.08 1.69 1.63 0.15 0.40 116.57 120.80 1ngm h LYS 145 Ca 0.22 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 1ngm h LYS 145 Cb 0.56 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1ngm h LYS 145 CO -0.70 0.41 -0.08 0.82 -3.45 0.00 0.00 179.45 176.44 1ngm h ILE 146 N 0.64 1.11 0.00 2.00 2.04 0.03 -3.46 117.51 119.87 1ngm h ILE 146 Ca 0.35 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ngm h ILE 146 Cb 0.35 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1ngm h ILE 146 CO -0.26 0.15 0.00 0.61 0.00 0.00 0.00 178.15 178.66 1ngm n GLY 147 N -1.13 -0.60 3.89 5.37 0.00 0.13 -5.10 105.19 107.75 1ngm n GLY 147 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1ngm n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ngm s PHE 148 N -0.36 3.51 0.20 1.61 0.40 -1.10 -5.00 117.98 117.24 1ngm s PHE 148 Ca 0.00 0.56 -0.22 0.00 -0.60 0.00 0.00 56.93 56.67 1ngm s PHE 148 Cb 0.00 -2.00 0.12 0.00 0.51 0.00 0.00 43.02 41.65 1ngm s PHE 148 CO 0.00 0.49 1.55 0.00 0.70 0.00 0.00 175.22 177.97 1ngm h ALA 149 N 3.19 -0.11 -5.11 5.36 0.00 -1.90 -3.33 119.26 117.36 1ngm h ALA 149 Ca -0.47 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ngm h ALA 149 Cb 1.17 1.09 -0.03 0.00 0.00 0.00 0.00 17.79 20.03 1ngm h ALA 149 CO 0.71 -0.75 -0.51 0.00 0.00 0.00 0.00 179.25 178.70 1ngm n ALA 150 N -3.35 -1.75 -2.62 0.00 0.00 -1.25 -4.86 120.51 106.69 1ngm n ALA 150 Ca 0.06 0.62 -0.28 0.00 0.00 0.00 0.00 53.44 53.84 1ngm n ALA 150 Cb 0.35 -1.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 1ngm n ALA 150 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ngm s LYS 151 N -0.24 1.96 -0.56 0.00 1.02 0.15 -4.79 119.74 117.28 1ngm s LYS 151 Ca -0.06 -2.14 -0.02 0.00 0.02 0.00 0.00 55.97 53.77 1ngm s LYS 151 Cb 0.00 -1.52 0.15 0.00 -0.52 0.00 0.00 37.83 35.94 1ngm s LYS 151 CO 0.17 -0.12 0.36 0.12 -0.92 0.00 0.00 175.35 174.96 1ngm s PHE 152 N -2.81 3.42 0.04 3.18 2.19 -1.26 -4.13 117.98 118.61 1ngm s PHE 152 Ca 0.30 -2.75 0.00 0.00 0.33 0.00 0.00 56.93 54.82 1ngm s PHE 152 Cb 0.08 -3.14 -0.03 0.00 -1.31 0.00 0.00 43.02 38.63 1ngm s PHE 152 CO 0.15 -0.85 -0.04 0.95 1.83 0.00 0.00 175.22 177.26 1ngm s THR 153 N 0.14 0.29 -1.18 0.12 -4.23 -1.17 -4.83 115.64 104.78 1ngm s THR 153 Ca 0.15 -1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 1ngm s THR 153 Cb -0.21 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1ngm s THR 153 CO -0.03 -0.64 0.28 0.47 -0.54 0.00 0.00 174.62 174.16 1ngm n ASP 154 N 1.03 -4.74 -4.63 3.99 9.92 -1.26 0.18 116.55 121.04 1ngm n ASP 154 Ca -0.20 -0.14 -0.43 0.00 -0.53 0.00 0.00 54.79 53.50 1ngm n ASP 154 Cb 0.57 -3.70 -0.03 0.00 -0.64 0.00 0.00 41.12 37.32 1ngm n ASP 154 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1ngm s PHE 155 N -2.91 1.85 -0.05 1.24 5.36 -1.26 -3.96 117.98 118.25 1ngm s PHE 155 Ca 0.14 0.42 -0.02 0.00 -0.96 0.00 0.00 56.93 56.51 1ngm s PHE 155 Cb -0.06 -4.02 0.03 0.00 -0.34 0.00 0.00 43.02 38.63 1ngm s PHE 155 CO 0.17 -3.44 0.03 0.21 -1.46 0.00 0.00 175.22 170.74 1ngm s LYS 156 N 4.93 0.24 -0.21 10.12 2.20 0.06 -5.01 119.74 132.08 1ngm s LYS 156 Ca 0.78 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 56.34 1ngm s LYS 156 Cb -0.28 -0.71 -0.01 0.00 -1.51 0.00 0.00 37.83 35.32 1ngm s LYS 156 CO 0.32 -0.30 1.36 0.42 -0.36 0.00 0.00 175.35 176.78 1ngm s ILE 157 N 2.00 4.09 -0.26 5.43 1.01 -1.26 -1.35 121.20 130.86 1ngm s ILE 157 Ca 0.04 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.97 1ngm s ILE 157 Cb -0.12 -3.97 -0.17 0.00 0.01 0.00 0.00 42.46 38.21 1ngm s ILE 157 CO -0.04 -0.27 -0.23 0.00 0.00 0.00 0.00 174.94 174.40 1ngm n GLN 158 N 7.04 0.65 -4.76 2.79 1.13 0.43 -4.78 117.38 119.88 1ngm n GLN 158 Ca 0.15 0.16 -0.24 0.00 -1.94 0.00 0.00 57.00 55.13 1ngm n GLN 158 Cb 0.45 -1.52 -0.15 0.00 0.11 0.00 0.00 30.24 29.13 1ngm n GLN 158 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ngm s ASN 159 N -6.62 2.05 0.03 1.08 3.04 -0.73 -4.27 114.94 109.52 1ngm s ASN 159 Ca -0.35 -0.35 0.07 0.00 0.04 0.00 0.00 52.86 52.27 1ngm s ASN 159 Cb 0.09 -0.21 -0.02 0.00 -1.54 0.00 0.00 41.25 39.57 1ngm s ASN 159 CO 0.59 0.19 -0.21 -0.63 -3.04 0.00 0.00 177.10 174.00 1ngm s ILE 160 N -0.50 1.68 -0.07 -5.21 1.01 -0.28 0.13 121.20 117.97 1ngm s ILE 160 Ca 0.06 -1.11 0.05 0.00 0.00 0.00 0.00 60.65 59.65 1ngm s ILE 160 Cb -0.07 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 1ngm s ILE 160 CO -0.00 0.29 -0.22 -0.69 0.00 0.00 0.00 174.94 174.32 1ngm s VAL 161 N -0.71 1.87 0.22 2.92 1.01 0.40 -3.19 120.40 122.93 1ngm s VAL 161 Ca 0.08 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.21 1ngm s VAL 161 Cb -0.09 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1ngm s VAL 161 CO 0.01 0.52 -0.17 -0.83 0.00 0.00 0.00 175.10 174.63 1ngm s GLY 162 N 0.09 1.58 -0.17 4.51 0.00 0.17 0.20 107.32 113.69 1ngm s GLY 162 Ca -0.09 -1.70 -0.23 0.00 0.00 0.00 0.00 44.72 42.71 1ngm s GLY 162 CO 0.05 -1.78 0.60 -1.35 0.00 0.00 0.00 173.10 170.62 1ngm s SER 163 N -3.22 -0.60 0.00 1.64 1.04 -0.63 0.09 113.70 112.02 1ngm s SER 163 Ca 0.23 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.69 1ngm s SER 163 Cb -0.03 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.10 1ngm s SER 163 CO 0.10 -0.32 0.00 0.00 0.98 0.00 0.00 173.24 174.00 1ngm s ASP 165 N -0.25 2.01 0.00 0.00 -1.08 -1.26 -2.27 116.67 113.82 1ngm s ASP 165 Ca 0.00 -0.67 0.21 0.00 -0.52 0.00 0.00 52.55 51.57 1ngm s ASP 165 Cb 0.00 0.24 1.13 0.00 -1.46 0.00 0.00 42.92 42.82 1ngm s ASP 165 CO 0.00 -0.38 1.68 1.33 0.52 0.00 0.00 175.17 178.32 1ngm n VAL 166 N 5.30 0.26 -3.24 1.11 0.24 -0.18 -4.91 118.33 116.91 1ngm n VAL 166 Ca -0.04 0.07 -0.23 0.00 -2.04 0.00 0.00 64.34 62.09 1ngm n VAL 166 Cb 0.47 -0.72 0.05 0.00 -1.47 0.00 0.00 33.84 32.17 1ngm n VAL 166 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1ngm n LYS 167 N -1.22 -5.89 -3.62 7.34 3.00 -1.26 -5.00 118.16 111.52 1ngm n LYS 167 Ca 0.12 0.87 -0.15 0.00 -0.00 0.00 0.00 58.31 59.14 1ngm n LYS 167 Cb 0.15 -5.79 -0.07 0.00 0.00 0.00 0.00 35.03 29.31 1ngm n LYS 167 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1ngm s PHE 168 N -3.22 -0.70 0.45 5.64 -0.12 -1.26 -5.11 117.98 113.65 1ngm s PHE 168 Ca 0.41 1.57 -0.25 0.00 -0.05 0.00 0.00 56.93 58.61 1ngm s PHE 168 Cb -0.18 0.29 -0.09 0.00 -0.63 0.00 0.00 43.02 42.41 1ngm s PHE 168 CO 0.51 -0.42 1.39 -0.35 -0.05 0.00 0.00 175.22 176.29 1ngm n PRO 169 N 2.19 2.14 -4.85 1.99 -0.04 -1.26 -3.87 135.00 131.29 1ngm n PRO 169 Ca -0.16 0.76 -0.33 0.00 -0.04 0.00 0.00 63.50 63.74 1ngm n PRO 169 Cb 0.56 -2.56 -0.14 0.00 -0.04 0.00 0.00 33.50 31.31 1ngm n PRO 169 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ngm s ILE 170 N -1.20 2.96 -1.11 0.52 1.01 0.13 -0.91 121.20 122.60 1ngm s ILE 170 Ca 0.62 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 60.36 1ngm s ILE 170 Cb -0.46 -2.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.74 1ngm s ILE 170 CO 0.57 0.55 1.98 0.54 0.00 0.00 0.00 174.94 178.58 1ngm n ARG 171 N 3.17 2.12 -0.30 2.79 1.74 -0.87 -4.42 116.66 120.88 1ngm n ARG 171 Ca -0.18 -2.37 0.09 0.00 -0.77 0.00 0.00 57.85 54.62 1ngm n ARG 171 Cb 0.53 -3.26 0.25 0.00 -1.02 0.00 0.00 32.46 28.96 1ngm n ARG 171 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ngm h LEU 172 N 13.41 0.51 -0.59 0.55 3.38 -1.95 -1.73 115.31 128.88 1ngm h LEU 172 Ca 0.43 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.62 1ngm h LEU 172 Cb 0.74 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 1ngm h LEU 172 CO 1.73 0.18 0.07 -0.33 0.09 0.00 0.00 178.44 180.18 1ngm h GLU 173 N 0.59 0.18 -0.18 1.13 4.39 -1.99 -1.55 114.58 117.16 1ngm h GLU 173 Ca 0.49 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 60.06 1ngm h GLU 173 Cb 0.75 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1ngm h GLU 173 CO -0.40 0.12 -0.35 0.78 -1.16 0.00 0.00 179.01 178.00 1ngm h GLY 174 N 0.19 0.60 0.96 -3.84 0.00 -1.75 -3.29 103.07 95.95 1ngm h GLY 174 Ca 0.31 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1ngm h GLY 174 CO -0.45 0.64 0.42 -2.00 0.00 0.00 0.00 176.54 175.16 1ngm h LEU 175 N 0.20 0.72 -0.12 3.11 6.46 -0.68 -2.97 115.31 122.04 1ngm h LEU 175 Ca 0.01 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1ngm h LEU 175 Cb 0.95 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 40.65 1ngm h LEU 175 CO 0.08 0.51 -0.31 0.00 -0.62 0.00 0.00 178.44 178.11 1ngm h ALA 176 N 1.25 -0.35 -0.67 1.25 0.00 -1.37 -1.02 119.26 118.35 1ngm h ALA 176 Ca 0.25 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1ngm h ALA 176 Cb -0.06 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1ngm h ALA 176 CO -0.07 -0.78 -0.44 0.35 0.00 0.00 0.00 179.25 178.31 1ngm h PHE 177 N -0.39 -1.40 0.00 0.00 3.04 -1.60 0.56 116.94 117.16 1ngm h PHE 177 Ca 0.09 0.09 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1ngm h PHE 177 Cb 0.53 0.70 0.00 0.00 2.56 0.00 0.00 35.95 39.74 1ngm h PHE 177 CO -0.39 -0.29 0.00 0.43 -2.02 0.00 0.00 178.31 176.03 1ngm n SER 178 N -4.69 0.00 -1.13 0.41 7.64 -0.97 -3.08 113.62 111.81 1ngm n SER 178 Ca 0.01 -0.57 0.03 0.00 1.01 0.00 0.00 58.87 59.34 1ngm n SER 178 Cb 0.21 -0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.29 1ngm n SER 178 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ngm n HIS 179 N -1.13 0.00 -0.24 1.43 8.25 -0.42 -4.88 115.22 118.23 1ngm n HIS 179 Ca 0.18 -0.33 0.32 0.00 -0.26 0.00 0.00 57.72 57.64 1ngm n HIS 179 Cb 0.16 -0.11 0.71 0.00 1.12 0.00 0.00 29.99 31.86 1ngm n HIS 179 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ngm h GLY 180 N 0.63 0.00 2.00 -1.41 0.00 0.18 0.65 103.07 105.11 1ngm h GLY 180 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1ngm h GLY 180 CO 0.06 0.00 -0.02 -0.84 0.00 0.00 0.00 176.54 175.75 1ngm h THR 181 N 0.00 0.83 0.00 4.70 2.02 -1.88 -3.08 112.91 115.50 1ngm h THR 181 Ca 0.49 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.62 1ngm h THR 181 Cb 2.20 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 1ngm h THR 181 CO -0.01 0.02 0.00 0.49 0.37 0.00 0.00 175.52 176.39 1ngm n PHE 182 N -4.26 0.00 -3.78 3.16 3.01 0.11 -5.02 117.46 110.67 1ngm n PHE 182 Ca -0.03 -0.07 -0.36 0.00 1.01 0.00 0.00 57.45 58.01 1ngm n PHE 182 Cb 0.10 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.49 1ngm n PHE 182 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1ngm s SER 183 N -0.14 6.27 -0.24 4.37 0.01 0.18 -1.57 113.70 122.59 1ngm s SER 183 Ca 0.00 0.32 -0.01 0.00 1.31 0.00 0.00 55.95 57.57 1ngm s SER 183 Cb 0.00 -2.08 0.07 0.00 0.21 0.00 0.00 66.02 64.22 1ngm s SER 183 CO 0.00 0.26 0.02 -0.55 0.41 0.00 0.00 173.24 173.38 1ngm s SER 184 N -0.11 3.55 -0.25 2.44 0.15 0.65 -4.69 113.70 115.44 1ngm s SER 184 Ca 0.10 -1.18 -0.01 0.00 0.70 0.00 0.00 55.95 55.57 1ngm s SER 184 Cb -0.11 -0.89 0.08 0.00 -1.71 0.00 0.00 66.02 63.38 1ngm s SER 184 CO 0.00 -0.31 0.04 -0.47 1.20 0.00 0.00 173.24 173.70 1ngm s TYR 185 N 1.61 1.67 -0.65 3.44 5.04 -1.26 -0.17 117.35 127.03 1ngm s TYR 185 Ca 0.00 -1.46 0.05 0.00 -2.44 0.00 0.00 57.07 53.22 1ngm s TYR 185 Cb -0.18 -1.47 0.19 0.00 0.35 0.00 0.00 41.96 40.85 1ngm s TYR 185 CO -0.11 -0.76 0.53 0.39 -1.34 0.00 0.00 175.55 174.26 1ngm n GLU 186 N 4.87 1.76 0.02 4.97 1.02 -1.26 -5.00 120.64 127.02 1ngm n GLU 186 Ca -0.06 -4.34 0.20 0.00 -0.02 0.00 0.00 57.16 52.93 1ngm n GLU 186 Cb 0.44 -2.18 0.69 0.00 -0.02 0.00 0.00 31.44 30.38 1ngm n GLU 186 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ngm h PRO 187 N 5.11 0.00 -0.89 3.49 0.13 -1.91 0.61 132.00 138.54 1ngm h PRO 187 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 1ngm h PRO 187 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1ngm h PRO 187 CO 0.70 0.00 0.04 -1.91 -0.23 0.00 0.00 178.00 176.60 1ngm n GLU 188 N -4.34 2.15 0.00 0.86 4.07 -1.26 -3.71 120.64 118.40 1ngm n GLU 188 Ca 0.09 -1.05 0.00 0.00 -0.06 0.00 0.00 57.16 56.14 1ngm n GLU 188 Cb 0.58 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.27 1ngm n GLU 188 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1ngm n LEU 189 N 0.16 0.25 -3.67 4.31 7.94 0.13 -5.07 117.00 121.05 1ngm n LEU 189 Ca 0.11 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.93 1ngm n LEU 189 Cb 0.63 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.49 1ngm n LEU 189 CO 0.13 0.04 0.10 0.12 -1.11 0.00 0.00 177.39 176.66 1ngm s PHE 190 N -1.10 -0.79 -0.26 1.96 5.36 -0.77 -5.06 117.98 117.32 1ngm s PHE 190 Ca 0.00 1.56 0.21 0.00 -0.96 0.00 0.00 56.93 57.75 1ngm s PHE 190 Cb 0.00 0.37 1.12 0.00 -0.34 0.00 0.00 43.02 44.17 1ngm s PHE 190 CO 0.00 -0.44 1.66 -0.35 -1.46 0.00 0.00 175.22 174.62 1ngm n PRO 191 N 4.77 0.15 -4.09 10.12 -0.04 -1.25 -4.09 135.00 140.57 1ngm n PRO 191 Ca -0.17 0.60 -0.33 0.00 -0.04 0.00 0.00 63.50 63.56 1ngm n PRO 191 Cb 0.53 -1.94 -0.07 0.00 -0.04 0.00 0.00 33.50 31.99 1ngm n PRO 191 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ngm s GLY 192 N -3.54 2.03 0.14 0.55 0.00 -1.26 -4.62 107.32 100.62 1ngm s GLY 192 Ca -0.01 -0.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.55 1ngm s GLY 192 CO 0.22 -0.72 1.14 -2.27 0.00 0.00 0.00 173.10 171.47 1ngm s LEU 193 N -1.70 4.45 -0.34 0.66 0.20 0.12 -4.74 118.68 117.31 1ngm s LEU 193 Ca 0.23 2.09 -0.13 0.00 0.69 0.00 0.00 54.13 57.01 1ngm s LEU 193 Cb -0.12 -3.60 -0.02 0.00 -0.43 0.00 0.00 46.19 42.03 1ngm s LEU 193 CO 0.14 -0.32 0.26 -0.63 -0.29 0.00 0.00 176.35 175.51 1ngm s ILE 194 N 0.17 5.27 -0.24 6.68 1.09 0.76 -1.02 121.20 133.90 1ngm s ILE 194 Ca 0.53 -0.17 -0.07 0.00 -1.10 0.00 0.00 60.65 59.83 1ngm s ILE 194 Cb -0.30 -3.74 -0.03 0.00 -1.06 0.00 0.00 42.46 37.34 1ngm s ILE 194 CO 0.34 -0.03 0.06 -0.47 -0.10 0.00 0.00 174.94 174.74 1ngm s TYR 195 N 1.77 3.09 -0.87 3.97 5.04 0.77 -0.25 117.35 130.88 1ngm s TYR 195 Ca 0.07 -0.39 -0.04 0.00 -2.44 0.00 0.00 57.07 54.27 1ngm s TYR 195 Cb -0.17 -2.21 0.22 0.00 0.35 0.00 0.00 41.96 40.15 1ngm s TYR 195 CO 0.11 -0.31 0.76 1.03 -1.34 0.00 0.00 175.55 175.80 1ngm s ARG 196 N 1.44 3.30 0.79 4.97 0.52 -0.61 0.12 118.95 129.48 1ngm s ARG 196 Ca 0.05 -3.05 -0.14 0.00 -0.52 0.00 0.00 55.73 52.07 1ngm s ARG 196 Cb -0.15 -4.04 0.07 0.00 0.52 0.00 0.00 34.95 31.35 1ngm s ARG 196 CO 0.03 -1.25 1.20 1.41 0.02 0.00 0.00 175.30 176.72 1ngm s MET 197 N -0.96 1.77 -0.13 3.54 1.75 -0.26 -4.83 119.30 120.18 1ngm s MET 197 Ca 0.25 1.73 0.05 0.00 -1.25 0.00 0.00 55.69 56.47 1ngm s MET 197 Cb -0.10 -1.79 -0.11 0.00 2.84 0.00 0.00 34.83 35.66 1ngm s MET 197 CO -0.10 -2.11 -0.06 1.33 -0.65 0.00 0.00 175.02 173.43 1ngm n VAL 198 N -3.19 0.80 -3.72 10.11 0.24 -1.26 -3.24 118.33 118.08 1ngm n VAL 198 Ca 0.13 -0.38 -0.29 0.00 -2.04 0.00 0.00 64.34 61.76 1ngm n VAL 198 Cb 0.51 -0.89 -0.15 0.00 -1.47 0.00 0.00 33.84 31.84 1ngm n VAL 198 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ngm s LYS 199 N -2.28 0.66 0.55 7.34 1.02 -1.26 -1.66 119.74 124.11 1ngm s LYS 199 Ca -0.14 -0.87 -0.16 0.00 0.02 0.00 0.00 55.97 54.83 1ngm s LYS 199 Cb 0.04 -1.93 -0.06 0.00 -0.52 0.00 0.00 37.83 35.36 1ngm s LYS 199 CO 0.38 -0.91 1.01 -1.25 -0.92 0.00 0.00 175.35 173.66 1ngm s PRO 200 N 1.72 3.75 -0.81 -1.68 0.04 -1.26 -4.98 135.00 131.78 1ngm s PRO 200 Ca 0.07 0.98 -0.24 0.00 0.04 0.00 0.00 61.00 61.85 1ngm s PRO 200 Cb -0.17 -2.10 -0.16 0.00 0.04 0.00 0.00 34.50 32.11 1ngm s PRO 200 CO -0.23 -0.44 2.39 1.17 0.04 0.00 0.00 177.00 179.94 1ngm n LYS 201 N -1.85 0.50 -4.32 4.56 4.81 -0.66 -4.65 118.16 116.55 1ngm n LYS 201 Ca 0.07 -0.79 -0.20 0.00 -0.87 0.00 0.00 58.31 56.51 1ngm n LYS 201 Cb 0.54 -3.47 -0.16 0.00 0.02 0.00 0.00 35.03 31.96 1ngm n LYS 201 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ngm s ILE 202 N 13.61 0.71 -0.21 3.15 -1.09 -1.20 -4.68 121.20 131.49 1ngm s ILE 202 Ca 0.96 -0.29 -0.20 0.00 -2.23 0.00 0.00 60.65 58.89 1ngm s ILE 202 Cb -0.19 -0.66 -0.02 0.00 -1.58 0.00 0.00 42.46 40.00 1ngm s ILE 202 CO 0.13 0.24 0.61 -0.69 -1.23 0.00 0.00 174.94 173.99 1ngm s VAL 203 N 0.43 5.03 -0.09 2.92 1.01 -0.58 -1.10 120.40 128.02 1ngm s VAL 203 Ca -0.07 1.13 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 1ngm s VAL 203 Cb -0.11 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1ngm s VAL 203 CO 0.01 0.10 -0.01 -0.76 0.00 0.00 0.00 175.10 174.44 1ngm s LEU 204 N 2.01 3.52 -0.32 3.92 1.02 0.31 -0.39 118.68 128.75 1ngm s LEU 204 Ca 0.27 0.11 -0.04 0.00 0.02 0.00 0.00 54.13 54.49 1ngm s LEU 204 Cb -0.16 -1.81 0.05 0.00 0.02 0.00 0.00 46.19 44.29 1ngm s LEU 204 CO 0.10 0.36 0.06 -0.76 0.02 0.00 0.00 176.35 176.13 1ngm s LEU 205 N -0.76 4.15 -0.14 1.79 1.43 0.19 -0.16 118.68 125.17 1ngm s LEU 205 Ca 0.12 -1.22 -0.06 0.00 -1.03 0.00 0.00 54.13 51.94 1ngm s LEU 205 Cb -0.11 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1ngm s LEU 205 CO 0.02 -0.30 0.06 -0.63 0.23 0.00 0.00 176.35 175.73 1ngm s ILE 206 N 1.33 4.79 0.01 -0.59 -1.09 -0.19 -1.77 121.20 123.69 1ngm s ILE 206 Ca -0.03 -0.05 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 1ngm s ILE 206 Cb -0.20 -3.11 -0.02 0.00 -1.58 0.00 0.00 42.46 37.56 1ngm s ILE 206 CO 0.01 0.53 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.70 1ngm s PHE 207 N -0.24 1.70 0.22 3.97 0.08 -1.20 0.11 117.98 122.61 1ngm s PHE 207 Ca 0.08 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 1ngm s PHE 207 Cb -0.12 -1.06 0.44 0.00 -0.57 0.00 0.00 43.02 41.71 1ngm s PHE 207 CO 0.01 0.02 1.15 0.28 -0.10 0.00 0.00 175.22 176.58 1ngm n VAL 208 N 2.30 -0.31 0.29 -0.44 0.31 -1.26 -0.05 118.33 119.17 1ngm n VAL 208 Ca -0.16 1.65 0.16 0.00 -0.01 0.00 0.00 64.34 65.98 1ngm n VAL 208 Cb 0.53 -2.35 0.78 0.00 -0.91 0.00 0.00 33.84 31.90 1ngm n VAL 208 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1ngm h SER 209 N 0.00 0.00 0.00 4.52 4.64 -1.89 0.36 113.55 121.18 1ngm h SER 209 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1ngm h SER 209 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1ngm h SER 209 CO -0.73 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.84 1ngm n GLY 210 N -1.28 0.67 3.60 -0.77 0.00 0.93 -4.28 105.19 104.07 1ngm n GLY 210 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ngm n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngm s LYS 211 N -0.85 3.96 -0.12 1.61 1.02 -1.25 -1.01 119.74 123.09 1ngm s LYS 211 Ca 0.00 0.29 -0.07 0.00 0.02 0.00 0.00 55.97 56.21 1ngm s LYS 211 Cb 0.00 -3.70 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 1ngm s LYS 211 CO 0.00 -0.48 0.14 0.42 -0.92 0.00 0.00 175.35 174.51 1ngm s ILE 212 N 2.47 5.50 -0.05 2.17 -1.09 -0.96 -3.26 121.20 125.98 1ngm s ILE 212 Ca 0.23 0.22 0.05 0.00 -2.23 0.00 0.00 60.65 58.92 1ngm s ILE 212 Cb -0.15 -3.41 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 1ngm s ILE 212 CO 0.11 0.62 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.54 1ngm s VAL 213 N -1.00 2.50 -0.06 2.92 1.01 -0.73 -1.77 120.40 123.27 1ngm s VAL 213 Ca 0.15 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1ngm s VAL 213 Cb -0.12 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1ngm s VAL 213 CO 0.04 0.58 -0.23 -0.76 0.00 0.00 0.00 175.10 174.73 1ngm s LEU 214 N -0.43 2.03 0.05 3.92 1.02 0.11 0.54 118.68 125.92 1ngm s LEU 214 Ca 0.05 -0.48 -0.03 0.00 0.02 0.00 0.00 54.13 53.68 1ngm s LEU 214 Cb -0.12 -1.28 -0.03 0.00 0.02 0.00 0.00 46.19 44.78 1ngm s LEU 214 CO 0.01 0.20 0.03 0.28 0.02 0.00 0.00 176.35 176.89 1ngm s THR 215 N 0.02 0.18 0.00 5.49 -1.32 0.48 -0.66 115.64 119.83 1ngm s THR 215 Ca -0.08 -1.47 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 1ngm s THR 215 Cb -0.14 -1.22 0.00 0.00 -1.51 0.00 0.00 72.50 69.62 1ngm s THR 215 CO 0.05 -0.81 0.00 0.61 -2.21 0.00 0.00 174.62 172.25 1ngm n GLY 216 N 0.39 0.96 3.81 6.08 0.00 -1.19 -1.52 105.19 113.72 1ngm n GLY 216 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1ngm n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm s ALA 217 N -2.00 3.43 -0.59 4.61 0.00 -1.24 -4.89 121.76 121.09 1ngm s ALA 217 Ca 0.00 0.15 0.23 0.00 0.00 0.00 0.00 51.96 52.34 1ngm s ALA 217 Cb 0.00 -2.80 0.10 0.00 0.00 0.00 0.00 23.12 20.42 1ngm s ALA 217 CO 0.00 0.34 1.08 1.63 0.00 0.00 0.00 175.76 178.81 1ngm n LYS 218 N 0.81 0.31 -4.21 0.00 4.01 -1.26 -1.13 118.16 116.69 1ngm n LYS 218 Ca -0.03 0.02 -0.18 0.00 -0.51 0.00 0.00 58.31 57.60 1ngm n LYS 218 Cb 0.51 -1.62 -0.15 0.00 -0.51 0.00 0.00 35.03 33.25 1ngm n LYS 218 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1ngm s GLN 219 N -3.21 0.70 0.37 1.97 -1.52 -1.26 -4.84 119.66 111.87 1ngm s GLN 219 Ca 0.04 -0.17 0.16 0.00 -1.95 0.00 0.00 55.36 53.43 1ngm s GLN 219 Cb 0.14 -0.69 1.04 0.00 -0.22 0.00 0.00 33.01 33.27 1ngm s GLN 219 CO 0.78 0.03 1.75 -0.09 -0.25 0.00 0.00 175.29 177.51 1ngm h ARG 220 N 6.61 0.44 0.00 2.91 2.43 -1.99 -0.19 114.38 124.59 1ngm h ARG 220 Ca -0.34 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.78 1ngm h ARG 220 Cb 1.17 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1ngm h ARG 220 CO 0.49 0.29 -0.09 1.49 -1.51 0.00 0.00 179.97 180.64 1ngm h GLU 221 N 0.45 0.00 -0.49 0.20 4.57 -1.99 -1.65 114.58 115.66 1ngm h GLU 221 Ca 0.62 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.72 1ngm h GLU 221 Cb 1.45 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.02 1ngm h GLU 221 CO -0.37 0.09 -0.04 0.93 -1.18 0.00 0.00 179.01 178.43 1ngm h GLU 222 N 0.00 0.90 0.68 1.92 5.08 -1.45 0.18 114.58 121.90 1ngm h GLU 222 Ca -0.00 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1ngm h GLU 222 Cb 0.32 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1ngm h GLU 222 CO 0.01 0.95 -0.45 0.82 -1.00 0.00 0.00 179.01 179.35 1ngm h ILE 223 N 0.76 0.11 -0.91 3.13 5.03 -1.37 0.15 117.51 124.41 1ngm h ILE 223 Ca 0.14 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 65.06 1ngm h ILE 223 Cb 0.57 0.11 -0.07 0.00 -3.03 0.00 0.00 36.82 34.39 1ngm h ILE 223 CO 0.03 0.00 0.59 1.88 -0.68 0.00 0.00 178.15 179.98 1ngm h TYR 224 N -1.07 0.68 -0.12 1.37 0.05 -1.37 0.13 116.97 116.65 1ngm h TYR 224 Ca -0.09 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.56 1ngm h TYR 224 Cb 0.87 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 1ngm h TYR 224 CO -0.12 0.19 -0.58 1.96 -1.05 0.00 0.00 178.16 178.56 1ngm h GLN 225 N 0.53 0.37 0.03 4.88 4.20 -0.46 -2.14 115.11 122.51 1ngm h GLN 225 Ca 0.48 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1ngm h GLN 225 Cb 1.02 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1ngm h GLN 225 CO -0.21 0.84 -0.01 0.00 -0.67 0.00 0.00 178.83 178.78 1ngm h ALA 226 N 1.10 -0.04 -0.81 3.87 0.00 0.19 -2.86 119.26 120.72 1ngm h ALA 226 Ca -0.00 -0.34 0.17 0.00 0.00 0.00 0.00 54.91 54.74 1ngm h ALA 226 Cb 1.09 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 1ngm h ALA 226 CO 0.10 -0.08 0.31 0.35 0.00 0.00 0.00 179.25 179.93 1ngm h PHE 227 N -0.92 0.52 -0.45 0.00 3.57 -1.33 -0.96 116.94 117.37 1ngm h PHE 227 Ca -0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1ngm h PHE 227 Cb 0.70 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1ngm h PHE 227 CO 0.18 0.00 0.14 0.93 -2.23 0.00 0.00 178.31 177.33 1ngm h GLU 228 N 0.41 0.66 0.03 1.11 4.39 -1.40 -2.88 114.58 116.90 1ngm h GLU 228 Ca 0.47 -0.11 -0.25 0.00 0.34 0.00 0.00 59.36 59.81 1ngm h GLU 228 Cb 0.79 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 1ngm h GLU 228 CO -0.47 0.58 -1.30 0.00 -1.16 0.00 0.00 179.01 176.67 1ngm h ALA 229 N 1.51 0.44 -0.00 3.43 0.00 -0.99 -3.30 119.26 120.34 1ngm h ALA 229 Ca 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1ngm h ALA 229 Cb 0.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ngm h ALA 229 CO -0.01 1.31 -0.04 1.51 0.00 0.00 0.00 179.25 182.02 1ngm n ILE 230 N -3.29 0.00 -0.05 0.00 0.13 -0.49 -4.37 119.36 111.29 1ngm n ILE 230 Ca -0.08 -0.05 -0.14 0.00 -1.10 0.00 0.00 62.75 61.38 1ngm n ILE 230 Cb 0.99 -0.24 -0.12 0.00 -0.84 0.00 0.00 39.64 39.43 1ngm n ILE 230 CO 0.00 0.00 0.00 0.22 2.80 0.00 0.00 176.55 179.57 1ngm h TYR 231 N 0.46 0.02 -1.05 9.51 3.20 -1.59 -1.28 116.97 126.24 1ngm h TYR 231 Ca 0.00 -0.01 0.34 0.00 3.14 0.00 0.00 58.73 62.20 1ngm h TYR 231 Cb 0.25 -0.00 -0.15 0.00 1.54 0.00 0.00 36.73 38.37 1ngm h TYR 231 CO 0.00 0.83 0.61 -1.35 -1.64 0.00 0.00 178.16 176.61 1ngm h PRO 232 N -0.80 0.26 0.00 1.82 0.11 -1.81 0.60 132.00 132.18 1ngm h PRO 232 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ngm h PRO 232 Cb 0.84 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1ngm h PRO 232 CO 0.00 0.17 0.00 0.28 -0.21 0.00 0.00 178.00 178.24 1ngm n VAL 233 N -4.99 1.14 -0.12 3.15 0.31 -0.55 -0.50 118.33 116.77 1ngm n VAL 233 Ca 0.33 0.34 -0.22 0.00 -0.01 0.00 0.00 64.34 64.78 1ngm n VAL 233 Cb 1.07 -1.21 -0.12 0.00 -0.91 0.00 0.00 33.84 32.68 1ngm n VAL 233 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ngm n LEU 234 N -1.77 2.61 -0.19 7.52 4.77 0.20 -4.02 117.00 126.12 1ngm n LEU 234 Ca 0.02 0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 55.99 1ngm n LEU 234 Cb 0.14 -0.91 0.08 0.00 -2.33 0.00 0.00 43.42 40.40 1ngm n LEU 234 CO 0.12 0.80 0.88 0.28 -1.33 0.00 0.00 177.39 178.15 1ngm h SER 235 N -0.31 0.97 -0.89 -1.43 0.02 -0.95 0.29 113.55 111.25 1ngm h SER 235 Ca -0.59 -0.24 0.22 0.00 -0.84 0.00 0.00 61.79 60.35 1ngm h SER 235 Cb 1.81 -0.26 -0.13 0.00 0.14 0.00 0.00 62.40 63.96 1ngm h SER 235 CO -0.17 0.99 0.35 -0.08 -1.14 0.00 0.00 176.83 176.78 1ngm h GLU 236 N 0.94 0.34 -0.56 3.45 4.81 -0.99 -1.81 114.58 120.75 1ngm h GLU 236 Ca 0.18 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1ngm h GLU 236 Cb 0.46 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.69 1ngm h GLU 236 CO 0.02 0.23 0.12 1.19 -0.73 0.00 0.00 179.01 179.84 1ngm n PHE 237 N -5.09 1.93 -1.59 0.92 3.01 0.72 -4.98 117.46 112.38 1ngm n PHE 237 Ca 0.22 -1.06 -0.49 0.00 1.01 0.00 0.00 57.45 57.13 1ngm n PHE 237 Cb 0.66 -0.55 -0.04 0.00 -0.01 0.00 0.00 39.48 39.53 1ngm n PHE 237 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1ngm n ARG 238 N -0.15 1.25 -2.37 -1.08 0.63 0.57 -2.04 116.66 113.47 1ngm n ARG 238 Ca 0.33 0.45 -0.37 0.00 -0.92 0.00 0.00 57.85 57.34 1ngm n ARG 238 Cb 1.21 -2.01 -0.03 0.00 0.45 0.00 0.00 32.46 32.09 1ngm n ARG 238 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1ngm s LYS 239 N -0.11 3.34 0.00 -0.14 2.20 -0.08 -4.75 119.74 120.19 1ngm s LYS 239 Ca 0.76 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1ngm s LYS 239 Cb -0.86 -5.37 0.00 0.00 -1.51 0.00 0.00 37.83 30.09 1ngm s LYS 239 CO 0.50 -2.85 0.15 -1.33 -0.36 0.00 0.00 175.35 171.47