#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3i s THR 2 N 0.00 -0.44 -0.23 12.58 2.01 -1.26 -1.73 115.64 126.57 1g3i s THR 2 Ca 0.00 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1g3i s THR 2 Cb 0.00 -0.89 -0.00 0.00 0.01 0.00 0.00 72.50 71.62 1g3i s THR 2 CO 0.00 -0.34 -0.04 -0.63 -0.69 0.00 0.00 174.62 172.92 1g3i s ILE 3 N 2.40 3.31 0.05 1.82 -1.09 -0.01 -3.09 121.20 124.60 1g3i s ILE 3 Ca 0.09 -0.58 0.05 0.00 -2.23 0.00 0.00 60.65 57.98 1g3i s ILE 3 Cb -0.14 -2.54 -0.02 0.00 -1.58 0.00 0.00 42.46 38.17 1g3i s ILE 3 CO -0.25 0.38 -0.15 0.54 -1.23 0.00 0.00 174.94 174.22 1g3i s VAL 4 N 1.46 1.17 -0.04 2.92 0.11 -0.28 0.07 120.40 125.81 1g3i s VAL 4 Ca 0.05 -1.08 -0.00 0.00 -2.93 0.00 0.00 61.98 58.01 1g3i s VAL 4 Cb -0.15 -1.07 0.03 0.00 -1.53 0.00 0.00 36.38 33.66 1g3i s VAL 4 CO -0.03 -0.02 0.01 -0.55 -3.33 0.00 0.00 175.10 171.17 1g3i s SER 5 N -1.27 0.86 0.01 3.54 0.15 0.65 -1.39 113.70 116.25 1g3i s SER 5 Ca 0.02 -0.02 0.07 0.00 0.70 0.00 0.00 55.95 56.71 1g3i s SER 5 Cb -0.08 -0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 63.93 1g3i s SER 5 CO 0.02 -0.15 -0.22 -0.69 1.20 0.00 0.00 173.24 173.40 1g3i s VAL 6 N 1.46 2.46 -0.20 4.45 1.01 -1.10 0.04 120.40 128.52 1g3i s VAL 6 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1g3i s VAL 6 Cb -0.13 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1g3i s VAL 6 CO -0.03 0.46 -0.07 -0.60 0.00 0.00 0.00 175.10 174.87 1g3i s ARG 7 N -1.01 1.68 -0.24 2.72 3.52 -1.09 -2.14 118.95 122.37 1g3i s ARG 7 Ca 0.12 -0.80 -0.13 0.00 -0.13 0.00 0.00 55.73 54.79 1g3i s ARG 7 Cb -0.10 -2.37 0.08 0.00 -1.56 0.00 0.00 34.95 31.00 1g3i s ARG 7 CO 0.02 -0.50 0.58 1.03 -0.81 0.00 0.00 175.30 175.62 1g3i s ARG 8 N 1.47 0.58 -0.40 5.12 1.81 -0.73 -4.83 118.95 121.98 1g3i s ARG 8 Ca -0.02 1.08 -0.01 0.00 -1.72 0.00 0.00 55.73 55.06 1g3i s ARG 8 Cb -0.17 0.13 -0.01 0.00 -0.45 0.00 0.00 34.95 34.45 1g3i s ARG 8 CO -0.07 -0.16 0.34 0.09 -0.68 0.00 0.00 175.30 174.82 1g3i n ASN 9 N 4.40 -2.42 -0.49 0.23 4.13 -1.26 -3.18 115.26 116.68 1g3i n ASN 9 Ca -0.20 -0.22 -0.05 0.00 1.68 0.00 0.00 54.58 55.78 1g3i n ASN 9 Cb 0.57 -2.11 -0.02 0.00 -1.54 0.00 0.00 39.78 36.67 1g3i n ASN 9 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g3i n GLY 10 N -1.14 0.48 3.56 7.41 0.00 -1.26 -4.91 105.19 109.34 1g3i n GLY 10 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1g3i n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g3i s GLN 11 N -2.05 3.18 -0.12 1.61 -1.52 -1.19 -4.78 119.66 114.79 1g3i s GLN 11 Ca 0.00 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 52.90 1g3i s GLN 11 Cb 0.00 -2.75 0.02 0.00 -0.22 0.00 0.00 33.01 30.06 1g3i s GLN 11 CO 0.00 0.49 -0.10 0.08 -0.25 0.00 0.00 175.29 175.51 1g3i s VAL 12 N -0.32 1.20 0.12 1.09 1.01 -1.23 -1.77 120.40 120.50 1g3i s VAL 12 Ca 0.05 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1g3i s VAL 12 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1g3i s VAL 12 CO 0.02 0.39 -0.20 -0.69 0.00 0.00 0.00 175.10 174.63 1g3i s VAL 13 N 1.48 1.73 -0.22 2.92 1.01 -0.91 -1.28 120.40 125.14 1g3i s VAL 13 Ca 0.02 -1.67 -0.04 0.00 0.00 0.00 0.00 61.98 60.30 1g3i s VAL 13 Cb -0.13 -1.64 0.10 0.00 0.00 0.00 0.00 36.38 34.70 1g3i s VAL 13 CO -0.07 -0.15 0.22 -0.69 0.00 0.00 0.00 175.10 174.41 1g3i s VAL 14 N -1.47 -0.31 0.29 2.92 1.01 -0.31 -2.72 120.40 119.81 1g3i s VAL 14 Ca 0.09 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 61.96 1g3i s VAL 14 Cb -0.08 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1g3i s VAL 14 CO 0.05 -0.28 -0.01 -0.83 0.00 0.00 0.00 175.10 174.03 1g3i s GLY 15 N 2.31 1.79 -0.02 4.51 0.00 -0.49 -2.60 107.32 112.82 1g3i s GLY 15 Ca 0.07 -1.76 -0.29 0.00 0.00 0.00 0.00 44.72 42.75 1g3i s GLY 15 CO -0.16 -1.79 0.76 -0.32 0.00 0.00 0.00 173.10 171.59 1g3i s GLY 16 N -3.68 -0.50 0.00 0.20 0.00 -1.19 -1.12 107.32 101.02 1g3i s GLY 16 Ca 0.33 1.25 0.00 0.00 0.00 0.00 0.00 44.72 46.30 1g3i s GLY 16 CO 0.20 0.71 0.00 2.09 0.00 0.00 0.00 173.10 176.10 1g3i n ASP 17 N 0.43 0.00 -2.14 1.64 5.75 -1.18 -1.55 116.55 119.51 1g3i n ASP 17 Ca -0.15 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.60 1g3i n ASP 17 Cb 0.60 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.76 1g3i n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g3i n GLY 18 N 2.27 1.35 3.31 6.12 0.00 -0.93 -4.13 105.19 113.18 1g3i n GLY 18 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1g3i n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g3i s GLN 19 N 0.09 2.74 -0.68 1.61 0.74 -1.26 0.20 119.66 123.09 1g3i s GLN 19 Ca 0.06 -1.44 -0.26 0.00 0.05 0.00 0.00 55.36 53.77 1g3i s GLN 19 Cb 0.30 -3.92 0.04 0.00 1.10 0.00 0.00 33.01 30.53 1g3i s GLN 19 CO -0.09 -1.00 1.17 0.08 -0.55 0.00 0.00 175.29 174.90 1g3i s VAL 20 N 1.50 3.95 -0.11 1.34 1.01 0.25 -4.61 120.40 123.73 1g3i s VAL 20 Ca 0.03 0.30 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 1g3i s VAL 20 Cb -0.24 -4.81 -0.05 0.00 0.00 0.00 0.00 36.38 31.29 1g3i s VAL 20 CO 0.04 -1.63 0.33 -0.44 0.00 0.00 0.00 175.10 173.39 1g3i s SER 21 N 3.54 6.56 -0.28 3.32 0.01 -1.26 -1.39 113.70 124.20 1g3i s SER 21 Ca 0.33 0.67 0.01 0.00 1.31 0.00 0.00 55.95 58.27 1g3i s SER 21 Cb -0.10 -2.20 0.08 0.00 0.21 0.00 0.00 66.02 64.01 1g3i s SER 21 CO 0.16 0.19 0.01 -0.22 0.41 0.00 0.00 173.24 173.78 1g3i s LEU 22 N -0.12 3.03 0.00 2.44 2.96 -0.83 -4.92 118.68 121.23 1g3i s LEU 22 Ca 0.19 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 52.59 1g3i s LEU 22 Cb -0.14 -1.22 0.00 0.00 0.50 0.00 0.00 46.19 45.33 1g3i s LEU 22 CO 0.07 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 1g3i n GLY 23 N 4.61 2.05 0.04 7.98 0.00 -1.26 -1.89 105.19 116.72 1g3i n GLY 23 Ca -0.06 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.86 1g3i n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3i n ASN 24 N 10.07 1.72 -4.94 1.61 3.02 -1.26 -5.04 115.26 120.44 1g3i n ASN 24 Ca 0.00 -2.12 -0.25 0.00 -0.03 0.00 0.00 54.58 52.17 1g3i n ASN 24 Cb 0.00 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.07 1g3i n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1g3i s THR 25 N -1.25 1.66 -0.22 3.41 -4.23 -0.79 -5.12 115.64 109.09 1g3i s THR 25 Ca 0.07 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1g3i s THR 25 Cb 0.06 -2.06 0.06 0.00 1.34 0.00 0.00 72.50 71.90 1g3i s THR 25 CO 0.01 0.00 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.34 1g3i s VAL 26 N -2.78 1.45 0.03 2.29 1.01 -1.26 -1.97 120.40 119.18 1g3i s VAL 26 Ca 0.38 -1.11 0.13 0.00 0.00 0.00 0.00 61.98 61.39 1g3i s VAL 26 Cb -0.03 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1g3i s VAL 26 CO 0.24 -0.05 1.47 -0.03 0.00 0.00 0.00 175.10 176.73 1g3i h MET 27 N 7.99 0.00 -1.41 2.72 -1.53 -1.58 -3.46 114.93 117.65 1g3i h MET 27 Ca -0.20 0.00 0.12 0.00 -3.44 0.00 0.00 59.70 56.18 1g3i h MET 27 Cb 1.08 0.00 -0.29 0.00 -0.55 0.00 0.00 31.60 31.84 1g3i h MET 27 CO 0.41 0.63 0.56 0.21 0.14 0.00 0.00 176.91 178.87 1g3i s LYS 28 N -3.08 0.33 -0.33 0.39 2.20 -1.21 -5.01 119.74 113.03 1g3i s LYS 28 Ca 0.02 0.45 0.06 0.00 -0.36 0.00 0.00 55.97 56.14 1g3i s LYS 28 Cb 0.09 0.13 0.45 0.00 -1.51 0.00 0.00 37.83 37.00 1g3i s LYS 28 CO 0.76 -0.05 1.21 0.41 -0.36 0.00 0.00 175.35 177.31 1g3i n GLY 29 N 2.55 6.32 0.00 5.54 0.00 -1.25 0.87 105.19 119.21 1g3i n GLY 29 Ca -0.14 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.20 1g3i n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1g3i n ASN 30 N -0.67 0.00 -4.29 1.61 0.23 0.13 -4.66 115.26 107.61 1g3i n ASN 30 Ca 0.44 -0.77 -0.36 0.00 -0.53 0.00 0.00 54.58 53.36 1g3i n ASN 30 Cb 0.90 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.66 1g3i n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1g3i n ALA 31 N 0.00 -3.14 -2.56 -2.53 0.00 -1.08 -4.87 120.51 106.33 1g3i n ALA 31 Ca 0.00 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 1g3i n ALA 31 Cb 0.19 -1.56 -0.09 0.00 0.00 0.00 0.00 19.45 17.98 1g3i n ALA 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1g3i s ARG 32 N -2.44 3.70 0.00 0.00 0.52 -1.26 -4.25 118.95 115.22 1g3i s ARG 32 Ca 0.55 -0.31 0.22 0.00 -0.52 0.00 0.00 55.73 55.67 1g3i s ARG 32 Cb -0.30 -3.76 0.00 0.00 0.52 0.00 0.00 34.95 31.42 1g3i s ARG 32 CO 0.68 -0.43 1.08 1.63 0.02 0.00 0.00 175.30 178.28 1g3i n LYS 33 N 5.33 0.70 -3.96 3.54 5.02 -1.26 -4.81 118.16 122.72 1g3i n LYS 33 Ca -0.10 -0.56 -0.30 0.00 -2.02 0.00 0.00 58.31 55.34 1g3i n LYS 33 Cb 0.50 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 1g3i n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1g3i s VAL 34 N -2.69 1.45 0.42 -0.18 1.01 -1.26 -1.90 120.40 117.25 1g3i s VAL 34 Ca 0.15 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1g3i s VAL 34 Cb 0.17 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1g3i s VAL 34 CO 0.68 0.21 0.22 -0.13 0.00 0.00 0.00 175.10 176.08 1g3i s ARG 35 N 1.49 2.27 -0.11 2.72 1.81 0.71 -4.92 118.95 122.92 1g3i s ARG 35 Ca 0.01 -1.83 -0.02 0.00 -1.72 0.00 0.00 55.73 52.17 1g3i s ARG 35 Cb -0.15 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.29 1g3i s ARG 35 CO -0.08 -0.16 -0.03 1.03 -0.68 0.00 0.00 175.30 175.37 1g3i s ARG 36 N -3.96 3.26 0.12 3.54 0.52 -1.26 -1.66 118.95 119.51 1g3i s ARG 36 Ca 0.41 -0.49 0.10 0.00 -0.52 0.00 0.00 55.73 55.22 1g3i s ARG 36 Cb 0.02 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 1g3i s ARG 36 CO 0.23 0.48 -0.24 -0.51 0.02 0.00 0.00 175.30 175.27 1g3i s LEU 37 N -0.27 2.31 -0.73 2.53 1.43 -0.36 -4.79 118.68 118.79 1g3i s LEU 37 Ca 0.05 -0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 1g3i s LEU 37 Cb -0.13 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 1g3i s LEU 37 CO 0.02 0.12 0.64 0.00 0.23 0.00 0.00 176.35 177.35 1g3i n TYR 38 N 0.99 -1.66 -0.53 0.29 4.19 -1.26 -1.92 117.16 117.26 1g3i n TYR 38 Ca -0.19 0.59 0.00 0.00 3.31 0.00 0.00 57.90 61.62 1g3i n TYR 38 Cb 0.53 -3.68 0.00 0.00 0.49 0.00 0.00 39.34 36.68 1g3i n TYR 38 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1g3i n ASN 39 N -2.65 -3.10 0.00 2.98 3.02 -1.26 -1.41 115.26 112.84 1g3i n ASN 39 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1g3i n ASN 39 Cb 0.59 -2.10 0.00 0.00 -0.61 0.00 0.00 39.78 37.66 1g3i n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g3i n GLY 40 N 0.48 1.97 0.10 7.41 0.00 -1.14 -5.04 105.19 108.98 1g3i n GLY 40 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1g3i n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g3i n LYS 41 N -0.38 0.68 -4.38 1.61 4.01 -0.50 -4.98 118.16 114.21 1g3i n LYS 41 Ca 0.00 0.07 -0.22 0.00 -0.51 0.00 0.00 58.31 57.65 1g3i n LYS 41 Cb 0.00 -1.56 -0.13 0.00 -0.51 0.00 0.00 35.03 32.83 1g3i n LYS 41 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1g3i s VAL 42 N -2.51 1.41 -0.11 -0.18 -7.23 -0.81 -4.28 120.40 106.69 1g3i s VAL 42 Ca -0.15 -1.24 -0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1g3i s VAL 42 Cb 0.07 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 1g3i s VAL 42 CO 0.78 0.00 0.09 -0.76 -0.31 0.00 0.00 175.10 174.90 1g3i s LEU 43 N -1.44 4.08 -0.03 1.32 1.43 0.86 -1.22 118.68 123.67 1g3i s LEU 43 Ca 0.04 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1g3i s LEU 43 Cb -0.09 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.18 1g3i s LEU 43 CO 0.02 0.39 -0.00 0.00 0.23 0.00 0.00 176.35 176.99 1g3i s ALA 44 N -0.93 0.38 -0.11 4.21 0.00 -0.66 -1.18 121.76 123.47 1g3i s ALA 44 Ca 0.14 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1g3i s ALA 44 Cb -0.12 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1g3i s ALA 44 CO 0.03 -0.11 -0.16 0.20 0.00 0.00 0.00 175.76 175.72 1g3i s GLY 45 N 1.11 1.08 0.17 0.00 0.00 0.24 -0.21 107.32 109.70 1g3i s GLY 45 Ca -0.08 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 43.94 1g3i s GLY 45 CO -0.02 0.15 -0.01 -0.11 0.00 0.00 0.00 173.10 173.11 1g3i s PHE 46 N 0.89 2.83 -0.22 1.90 -0.71 -0.80 -0.11 117.98 121.77 1g3i s PHE 46 Ca -0.08 -0.14 -0.09 0.00 -1.04 0.00 0.00 56.93 55.58 1g3i s PHE 46 Cb -0.15 -1.38 0.09 0.00 -1.21 0.00 0.00 43.02 40.37 1g3i s PHE 46 CO -0.00 0.51 0.48 0.00 -1.34 0.00 0.00 175.22 174.87 1g3i s ALA 47 N -1.69 -1.35 0.00 1.99 0.00 -0.67 -4.88 121.76 115.15 1g3i s ALA 47 Ca 0.27 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.96 1g3i s ALA 47 Cb -0.09 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1g3i s ALA 47 CO 0.18 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1g3i n GLY 48 N 5.10 -0.23 3.62 0.00 0.00 -1.26 -0.45 105.19 111.97 1g3i n GLY 48 Ca -0.13 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1g3i n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g3i s GLY 49 N 0.00 1.41 0.00 -0.02 0.00 0.08 -4.84 107.32 103.95 1g3i s GLY 49 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1g3i s GLY 49 CO 0.00 2.38 0.00 -1.30 0.00 0.00 0.00 173.10 174.18 1g3i n THR 50 N 6.37 0.00 0.00 0.90 -2.24 -1.26 0.15 114.28 118.20 1g3i n THR 50 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1g3i n THR 50 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1g3i n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g3i n ALA 51 N -3.06 -0.20 0.09 6.98 0.00 -1.26 -3.25 120.51 119.80 1g3i n ALA 51 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1g3i n ALA 51 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1g3i n ALA 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1g3i n ASP 52 N -1.60 0.17 0.14 0.00 9.92 0.97 -0.43 116.55 125.71 1g3i n ASP 52 Ca 0.00 0.42 -0.10 0.00 -0.53 0.00 0.00 54.79 54.57 1g3i n ASP 52 Cb 0.00 -0.38 -0.06 0.00 -0.64 0.00 0.00 41.12 40.03 1g3i n ASP 52 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g3i h ALA 53 N 1.13 -0.41 -0.35 2.24 0.00 -0.30 -3.15 119.26 118.41 1g3i h ALA 53 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1g3i h ALA 53 Cb 0.55 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1g3i h ALA 53 CO 0.00 -0.45 -0.07 0.74 0.00 0.00 0.00 179.25 179.47 1g3i h PHE 54 N -0.97 0.76 -0.11 0.00 0.05 -0.73 -0.95 116.94 114.99 1g3i h PHE 54 Ca -0.04 -0.16 0.03 0.00 3.82 0.00 0.00 57.97 61.62 1g3i h PHE 54 Cb 0.49 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 38.25 1g3i h PHE 54 CO 0.04 0.83 0.40 1.79 -0.18 0.00 0.00 178.31 181.18 1g3i h THR 55 N 0.47 0.09 0.00 -1.55 1.35 -1.26 0.56 112.91 112.57 1g3i h THR 55 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1g3i h THR 55 Cb 0.57 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1g3i h THR 55 CO 0.03 0.00 -1.68 -0.11 -0.25 0.00 0.00 175.52 173.51 1g3i n LEU 56 N -3.07 0.07 -0.05 3.87 0.00 -0.99 -3.49 117.00 113.34 1g3i n LEU 56 Ca 0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 56.01 55.82 1g3i n LEU 56 Cb 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.77 1g3i n LEU 56 CO 0.16 0.02 0.37 0.15 0.00 0.00 0.00 177.39 178.09 1g3i h PHE 57 N 0.00 0.10 0.00 1.96 3.57 0.11 -3.00 116.94 119.68 1g3i h PHE 57 Ca 0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1g3i h PHE 57 Cb 0.74 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1g3i h PHE 57 CO 0.00 0.99 0.00 0.93 -2.23 0.00 0.00 178.31 178.00 1g3i h GLU 58 N -0.82 0.00 0.00 1.11 4.39 -0.36 -2.57 114.58 116.33 1g3i h GLU 58 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1g3i h GLU 58 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1g3i h GLU 58 CO 0.02 0.00 -0.14 1.25 -1.16 0.00 0.00 179.01 178.99 1g3i h LEU 59 N 0.00 0.00 0.00 1.33 5.85 -1.59 -3.09 115.31 117.81 1g3i h LEU 59 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1g3i h LEU 59 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1g3i h LEU 59 CO 0.00 0.01 -1.32 0.33 -0.34 0.00 0.00 178.44 177.12 1g3i n PHE 60 N -2.66 0.10 -0.01 1.25 7.35 -0.99 -3.88 117.46 118.62 1g3i n PHE 60 Ca 0.04 0.03 -0.17 0.00 -0.76 0.00 0.00 57.45 56.59 1g3i n PHE 60 Cb 0.49 -0.31 -0.09 0.00 0.35 0.00 0.00 39.48 39.91 1g3i n PHE 60 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1g3i h GLU 61 N 0.00 0.61 0.38 -4.13 4.81 -1.42 -2.86 114.58 111.97 1g3i h GLU 61 Ca 0.00 -0.55 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 1g3i h GLU 61 Cb 0.74 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1g3i h GLU 61 CO 0.00 1.17 -0.46 0.00 -0.73 0.00 0.00 179.01 178.99 1g3i h ARG 62 N 0.25 -0.82 0.00 1.92 3.08 -1.68 -0.15 114.38 116.97 1g3i h ARG 62 Ca -0.06 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1g3i h ARG 62 Cb 1.34 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.58 1g3i h ARG 62 CO 0.14 -0.55 0.07 1.63 -1.07 0.00 0.00 179.97 180.19 1g3i n LYS 63 N -5.16 0.00 -0.12 0.04 4.01 -1.23 -0.77 118.16 114.93 1g3i n LYS 63 Ca -0.10 0.32 -0.25 0.00 -0.51 0.00 0.00 58.31 57.76 1g3i n LYS 63 Cb 0.40 -1.57 -0.10 0.00 -0.51 0.00 0.00 35.03 33.25 1g3i n LYS 63 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1g3i n LEU 64 N -1.30 1.92 0.23 -0.35 4.77 -0.21 -3.87 117.00 118.18 1g3i n LEU 64 Ca 0.00 0.38 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 1g3i n LEU 64 Cb 0.07 -0.87 0.53 0.00 -2.33 0.00 0.00 43.42 40.83 1g3i n LEU 64 CO 0.00 0.40 0.90 -0.33 -1.33 0.00 0.00 177.39 177.03 1g3i h GLU 65 N -1.00 0.00 -0.09 3.23 5.08 -0.50 -1.01 114.58 120.30 1g3i h GLU 65 Ca -0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1g3i h GLU 65 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1g3i h GLU 65 CO -0.32 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 177.87 1g3i n MET 66 N -4.20 1.26 -2.58 2.33 0.00 0.06 -3.97 117.12 110.02 1g3i n MET 66 Ca -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 57.70 57.27 1g3i n MET 66 Cb 0.25 -1.22 0.06 0.00 0.00 0.00 0.00 33.22 32.32 1g3i n MET 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1g3i n HIS 67 N -0.29 0.14 -2.76 3.17 -0.00 -0.45 -5.01 115.22 110.02 1g3i n HIS 67 Ca 0.10 -1.79 -0.11 0.00 -0.00 0.00 0.00 57.72 55.92 1g3i n HIS 67 Cb 0.13 0.32 -0.01 0.00 -0.00 0.00 0.00 29.99 30.43 1g3i n HIS 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1g3i n GLN 68 N -0.74 -2.65 -2.16 -0.41 6.02 -1.15 -0.99 117.38 115.31 1g3i n GLN 68 Ca -0.02 0.29 -0.11 0.00 -0.01 0.00 0.00 57.00 57.15 1g3i n GLN 68 Cb 0.85 -4.86 -0.01 0.00 1.02 0.00 0.00 30.24 27.24 1g3i n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g3i n GLY 69 N -0.75 -0.01 3.52 1.08 0.00 -0.78 -4.93 105.19 103.32 1g3i n GLY 69 Ca -0.04 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1g3i n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g3i s HIS 70 N -2.56 3.12 0.00 1.61 3.76 -0.16 -4.90 115.29 116.16 1g3i s HIS 70 Ca 0.00 -1.85 0.00 0.00 -0.15 0.00 0.00 55.06 53.06 1g3i s HIS 70 Cb 0.00 -4.55 0.00 0.00 1.11 0.00 0.00 32.58 29.14 1g3i s HIS 70 CO 0.00 -1.62 0.27 -0.11 -0.85 0.00 0.00 174.74 172.43 1g3i n LEU 71 N 7.10 0.00 -0.40 0.89 7.94 -1.26 -0.42 117.00 130.85 1g3i n LEU 71 Ca 0.43 0.27 0.34 0.00 -1.11 0.00 0.00 56.01 55.93 1g3i n LEU 71 Cb 0.45 0.00 0.52 0.00 0.53 0.00 0.00 43.42 44.91 1g3i n LEU 71 CO 0.70 0.00 1.09 -0.11 -1.11 0.00 0.00 177.39 177.96 1g3i n LEU 72 N -0.57 0.00 -0.06 -1.96 7.94 -1.26 -0.87 117.00 120.21 1g3i n LEU 72 Ca 0.00 0.70 -0.04 0.00 -1.11 0.00 0.00 56.01 55.56 1g3i n LEU 72 Cb 0.00 -0.31 -0.01 0.00 0.53 0.00 0.00 43.42 43.62 1g3i n LEU 72 CO 0.00 -0.70 -0.32 0.29 -1.11 0.00 0.00 177.39 175.55 1g3i n LYS 73 N -3.22 0.40 -0.50 1.96 4.76 -0.65 -3.81 118.16 117.11 1g3i n LYS 73 Ca 0.28 0.49 0.42 0.00 -2.87 0.00 0.00 58.31 56.63 1g3i n LYS 73 Cb 1.43 -1.58 0.70 0.00 -1.84 0.00 0.00 35.03 33.74 1g3i n LYS 73 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1g3i h SER 74 N -0.89 0.18 0.87 4.39 4.64 0.12 0.89 113.55 123.75 1g3i h SER 74 Ca 0.00 0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1g3i h SER 74 Cb 0.46 0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1g3i h SER 74 CO 0.00 -0.23 -0.42 0.00 -0.87 0.00 0.00 176.83 175.31 1g3i h ALA 75 N 1.54 -1.24 -0.91 5.18 0.00 -1.40 -1.92 119.26 120.50 1g3i h ALA 75 Ca 0.89 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 55.70 1g3i h ALA 75 Cb 2.95 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 21.10 1g3i h ALA 75 CO -0.42 -1.15 0.51 0.28 0.00 0.00 0.00 179.25 178.47 1g3i h VAL 76 N -1.24 0.75 -0.20 0.00 2.07 0.58 0.42 116.25 118.64 1g3i h VAL 76 Ca -0.12 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1g3i h VAL 76 Cb 0.89 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1g3i h VAL 76 CO 0.20 0.13 -0.01 -0.33 0.02 0.00 0.00 177.57 177.57 1g3i h GLU 77 N 0.71 0.29 -0.01 1.57 5.08 -0.83 -0.33 114.58 121.06 1g3i h GLU 77 Ca 0.50 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 1g3i h GLU 77 Cb 0.70 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1g3i h GLU 77 CO -0.35 0.33 -0.02 1.25 -1.00 0.00 0.00 179.01 179.21 1g3i h LEU 78 N 0.28 0.04 -0.15 1.33 5.85 0.56 -3.24 115.31 119.98 1g3i h LEU 78 Ca 0.07 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1g3i h LEU 78 Cb 0.22 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1g3i h LEU 78 CO 0.01 0.56 -0.30 0.00 -0.34 0.00 0.00 178.44 178.37 1g3i h ALA 79 N 0.48 -0.31 -1.31 1.25 0.00 -0.51 -0.77 119.26 118.09 1g3i h ALA 79 Ca 0.00 0.03 0.38 0.00 0.00 0.00 0.00 54.91 55.32 1g3i h ALA 79 Cb 0.55 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1g3i h ALA 79 CO 0.00 -0.76 1.05 1.57 0.00 0.00 0.00 179.25 181.12 1g3i h LYS 80 N -0.36 0.00 0.00 0.00 5.09 -1.10 0.55 116.57 120.75 1g3i h LYS 80 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.84 1g3i h LYS 80 Cb 0.52 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.85 1g3i h LYS 80 CO -0.35 0.00 0.00 -0.44 -2.09 0.00 0.00 179.45 176.57 1g3i h ASP 81 N 0.00 0.00 0.05 7.07 3.45 -1.18 -1.42 116.42 124.39 1g3i h ASP 81 Ca 0.62 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.08 1g3i h ASP 81 Cb 2.73 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.50 1g3i h ASP 81 CO -0.01 0.00 -1.67 0.79 -1.57 0.00 0.00 179.24 176.78 1g3i n TRP 82 N -2.90 0.04 -2.69 4.55 8.01 0.19 -4.02 117.44 120.62 1g3i n TRP 82 Ca -0.02 0.01 -0.41 0.00 -1.31 0.00 0.00 57.50 55.77 1g3i n TRP 82 Cb 0.13 -0.39 0.02 0.00 -2.01 0.00 0.00 31.31 29.06 1g3i n TRP 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1g3i n ARG 83 N -2.07 5.17 0.00 -0.99 1.74 -0.54 -4.77 116.66 115.20 1g3i n ARG 83 Ca -0.02 -4.58 0.00 0.00 -0.77 0.00 0.00 57.85 52.49 1g3i n ARG 83 Cb 0.50 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 1g3i n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1g3i n THR 84 N 0.39 0.00 -0.01 0.55 -2.24 -1.26 -4.96 114.28 106.74 1g3i n THR 84 Ca 0.43 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.25 1g3i n THR 84 Cb 0.28 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 1g3i n THR 84 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1g3i n ASP 85 N 0.00 2.15 -3.89 3.42 9.92 -1.26 -4.78 116.55 122.12 1g3i n ASP 85 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1g3i n ASP 85 Cb 0.00 1.43 -0.15 0.00 -0.64 0.00 0.00 41.12 41.77 1g3i n ASP 85 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1g3i s ARG 86 N -2.76 1.34 1.07 -1.24 3.52 -1.26 -5.12 118.95 114.49 1g3i s ARG 86 Ca -0.05 -1.83 -0.15 0.00 -0.13 0.00 0.00 55.73 53.57 1g3i s ARG 86 Cb 0.07 -2.78 0.22 0.00 -1.56 0.00 0.00 34.95 30.91 1g3i s ARG 86 CO 0.51 -1.02 1.12 0.00 -0.81 0.00 0.00 175.30 175.10 1g3i s ALA 87 N 0.78 0.99 -0.81 6.12 0.00 -1.26 -4.93 121.76 122.65 1g3i s ALA 87 Ca 0.13 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1g3i s ALA 87 Cb -0.21 -3.00 0.25 0.00 0.00 0.00 0.00 23.12 20.16 1g3i s ALA 87 CO -0.10 -3.04 0.89 -0.11 0.00 0.00 0.00 175.76 173.40 1g3i n LEU 88 N -4.33 4.37 0.00 0.00 0.00 -1.26 -5.03 117.00 110.75 1g3i n LEU 88 Ca 0.09 -5.30 0.00 0.00 0.00 0.00 0.00 56.01 50.80 1g3i n LEU 88 Cb 0.59 -0.91 0.00 0.00 0.00 0.00 0.00 43.42 43.09 1g3i n LEU 88 CO 0.52 1.83 0.00 0.54 0.00 0.00 0.00 177.39 180.28 1g3i n ARG 89 N 1.43 0.00 0.00 1.96 1.74 -1.26 -4.68 116.66 115.84 1g3i n ARG 89 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1g3i n ARG 89 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 1g3i n ARG 89 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1g3i n LYS 90 N 7.93 0.00 -4.55 5.56 -0.00 -1.26 -5.06 118.16 120.77 1g3i n LYS 90 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 1g3i n LYS 90 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 34.87 1g3i n LYS 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1g3i s LEU 91 N 0.00 2.12 -1.22 -5.58 1.02 -0.44 -5.01 118.68 109.56 1g3i s LEU 91 Ca 0.00 -0.61 -0.19 0.00 0.02 0.00 0.00 54.13 53.35 1g3i s LEU 91 Cb 0.00 -1.45 -0.01 0.00 0.02 0.00 0.00 46.19 44.74 1g3i s LEU 91 CO 0.00 0.06 1.95 -0.62 0.02 0.00 0.00 176.35 177.76 1g3i n GLU 92 N 4.18 2.47 0.00 1.70 -0.58 -1.26 -3.77 120.64 123.38 1g3i n GLU 92 Ca -0.20 -2.67 0.00 0.00 -0.42 0.00 0.00 57.16 53.87 1g3i n GLU 92 Cb 0.51 -3.39 0.00 0.00 -0.57 0.00 0.00 31.44 28.00 1g3i n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g3i n ALA 93 N 8.85 0.00 -2.82 0.62 0.00 -1.26 -0.74 120.51 125.16 1g3i n ALA 93 Ca 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.82 1g3i n ALA 93 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 1g3i n ALA 93 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1g3i s MET 94 N -2.00 0.48 -0.01 0.00 -1.94 0.40 -1.69 119.30 114.54 1g3i s MET 94 Ca 0.00 -0.77 0.08 0.00 -1.71 0.00 0.00 55.69 53.29 1g3i s MET 94 Cb 0.00 -0.12 -0.02 0.00 2.01 0.00 0.00 34.83 36.69 1g3i s MET 94 CO 0.00 0.00 -0.24 -1.17 -0.01 0.00 0.00 175.02 173.60 1g3i s LEU 95 N -1.70 2.07 -0.28 -0.03 2.96 0.87 -1.68 118.68 120.89 1g3i s LEU 95 Ca -0.10 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1g3i s LEU 95 Cb -0.08 -1.25 0.06 0.00 0.50 0.00 0.00 46.19 45.42 1g3i s LEU 95 CO -0.01 0.29 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.61 1g3i s ILE 96 N -0.61 2.37 -0.05 6.68 1.01 0.84 0.44 121.20 131.88 1g3i s ILE 96 Ca 0.10 -1.64 0.05 0.00 0.00 0.00 0.00 60.65 59.15 1g3i s ILE 96 Cb -0.09 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1g3i s ILE 96 CO -0.00 -0.10 -0.20 0.68 0.00 0.00 0.00 174.94 175.32 1g3i s VAL 97 N 1.12 2.53 -0.20 2.92 -7.23 -0.29 -0.59 120.40 118.66 1g3i s VAL 97 Ca -0.06 -0.91 -0.22 0.00 -1.81 0.00 0.00 61.98 58.98 1g3i s VAL 97 Cb -0.20 -1.96 0.06 0.00 0.56 0.00 0.00 36.38 34.84 1g3i s VAL 97 CO -0.04 0.57 0.60 0.00 -0.31 0.00 0.00 175.10 175.92 1g3i s ALA 98 N -0.41 -1.49 0.17 1.32 0.00 -0.32 0.26 121.76 121.28 1g3i s ALA 98 Ca 0.04 1.60 0.01 0.00 0.00 0.00 0.00 51.96 53.61 1g3i s ALA 98 Cb -0.12 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 1g3i s ALA 98 CO 0.02 -0.29 0.04 -0.40 0.00 0.00 0.00 175.76 175.12 1g3i n ASP 99 N 2.49 1.58 0.29 0.00 3.85 0.12 -0.10 116.55 124.78 1g3i n ASP 99 Ca -0.15 -1.83 0.16 0.00 -0.71 0.00 0.00 54.79 52.26 1g3i n ASP 99 Cb 0.56 0.30 0.78 0.00 -1.35 0.00 0.00 41.12 41.41 1g3i n ASP 99 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1g3i h GLU 100 N 0.00 0.00 0.00 0.11 4.11 -1.94 -3.24 114.58 113.62 1g3i h GLU 100 Ca -0.13 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.08 1g3i h GLU 100 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1g3i h GLU 100 CO 0.22 0.00 -1.59 0.36 0.07 0.00 0.00 179.01 178.06 1g3i n LYS 101 N -3.02 0.37 -4.55 1.06 2.85 -1.26 -5.03 118.16 108.59 1g3i n LYS 101 Ca -0.00 0.16 -0.32 0.00 -1.05 0.00 0.00 58.31 57.10 1g3i n LYS 101 Cb 0.44 -1.13 -0.05 0.00 -0.65 0.00 0.00 35.03 33.64 1g3i n LYS 101 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1g3i s GLU 102 N -2.41 2.24 -0.26 -1.58 0.41 -1.22 -5.15 118.70 110.72 1g3i s GLU 102 Ca -0.23 -2.35 -0.14 0.00 -0.41 0.00 0.00 54.97 51.83 1g3i s GLU 102 Cb 0.08 -1.67 0.08 0.00 -1.78 0.00 0.00 34.13 30.84 1g3i s GLU 102 CO 0.31 -0.49 0.64 -1.54 -0.49 0.00 0.00 175.26 173.68 1g3i s SER 103 N -4.02 -0.89 0.26 -0.19 1.04 -1.26 -0.70 113.70 107.94 1g3i s SER 103 Ca 0.09 1.42 0.05 0.00 0.48 0.00 0.00 55.95 57.99 1g3i s SER 103 Cb -0.01 1.42 -0.02 0.00 0.10 0.00 0.00 66.02 67.51 1g3i s SER 103 CO 0.06 -0.23 0.20 0.18 0.98 0.00 0.00 173.24 174.42 1g3i n LEU 104 N 4.49 0.00 -3.73 2.42 4.77 0.72 -4.48 117.00 121.19 1g3i n LEU 104 Ca -0.19 -2.41 -0.15 0.00 -0.03 0.00 0.00 56.01 53.23 1g3i n LEU 104 Cb 0.57 1.19 -0.15 0.00 -2.33 0.00 0.00 43.42 42.69 1g3i n LEU 104 CO -0.01 -0.39 -0.27 -0.51 -1.33 0.00 0.00 177.39 174.88 1g3i s ILE 105 N -2.98 -0.11 -0.09 -0.08 2.07 -1.03 -1.14 121.20 117.85 1g3i s ILE 105 Ca 0.28 0.25 0.03 0.00 -1.41 0.00 0.00 60.65 59.80 1g3i s ILE 105 Cb 0.01 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.40 1g3i s ILE 105 CO 0.20 0.10 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.53 1g3i s ILE 106 N 1.50 1.51 0.11 2.00 1.01 0.17 -1.00 121.20 126.50 1g3i s ILE 106 Ca -0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1g3i s ILE 106 Cb -0.12 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1g3i s ILE 106 CO -0.05 0.44 0.28 0.42 0.00 0.00 0.00 174.94 176.03 1g3i s THR 107 N 0.65 5.30 -2.00 2.92 -4.23 -0.99 -0.09 115.64 117.19 1g3i s THR 107 Ca -0.14 -0.29 0.11 0.00 -1.18 0.00 0.00 61.69 60.19 1g3i s THR 107 Cb -0.16 -3.65 0.32 0.00 1.34 0.00 0.00 72.50 70.35 1g3i s THR 107 CO 0.04 0.06 1.11 0.61 -0.54 0.00 0.00 174.62 175.90 1g3i n GLY 108 N 0.06 -0.51 0.10 3.99 0.00 -0.68 -1.08 105.19 107.07 1g3i n GLY 108 Ca -0.04 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1g3i n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1g3i n ILE 109 N -0.84 0.75 0.00 -0.61 5.41 -1.26 -1.33 119.36 121.48 1g3i n ILE 109 Ca 0.08 -0.59 0.00 0.00 1.00 0.00 0.00 62.75 63.24 1g3i n ILE 109 Cb 0.04 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 1g3i n ILE 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g3i n GLY 110 N 1.26 0.76 3.57 7.39 0.00 -0.24 -4.87 105.19 113.06 1g3i n GLY 110 Ca -0.04 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1g3i n GLY 110 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1g3i s ASP 111 N -0.79 -0.35 -0.02 1.61 3.84 -1.25 -4.88 116.67 114.83 1g3i s ASP 111 Ca 0.00 0.33 0.08 0.00 -0.00 0.00 0.00 52.55 52.96 1g3i s ASP 111 Cb 0.00 0.29 -0.02 0.00 -1.38 0.00 0.00 42.92 41.81 1g3i s ASP 111 CO 0.00 -0.35 -0.26 -0.69 -0.00 0.00 0.00 175.17 173.87 1g3i s VAL 112 N -1.35 2.06 -0.04 2.11 1.01 -1.26 -2.35 120.40 120.58 1g3i s VAL 112 Ca -0.00 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.90 1g3i s VAL 112 Cb -0.01 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1g3i s VAL 112 CO -0.00 0.58 -0.12 -0.69 0.00 0.00 0.00 175.10 174.87 1g3i s VAL 113 N -0.61 1.06 -0.10 2.92 1.01 -0.17 -5.00 120.40 119.51 1g3i s VAL 113 Ca 0.10 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1g3i s VAL 113 Cb -0.10 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1g3i s VAL 113 CO -0.01 0.32 0.15 -1.10 0.00 0.00 0.00 175.10 174.46 1g3i s GLN 114 N 0.19 3.45 0.76 2.72 -0.21 -1.26 -2.46 119.66 122.84 1g3i s GLN 114 Ca -0.05 -0.15 -0.12 0.00 0.02 0.00 0.00 55.36 55.07 1g3i s GLN 114 Cb -0.10 -3.18 0.19 0.00 1.00 0.00 0.00 33.01 30.92 1g3i s GLN 114 CO 0.01 0.76 0.43 -2.30 -2.12 0.00 0.00 175.29 172.07 1g3i n PRO 115 N 1.83 -2.98 -4.22 2.91 -0.02 -1.26 -5.05 135.00 126.21 1g3i n PRO 115 Ca -0.19 -0.72 -0.27 0.00 -2.02 0.00 0.00 63.50 60.30 1g3i n PRO 115 Cb 0.55 -1.00 -0.05 0.00 -0.02 0.00 0.00 33.50 32.98 1g3i n PRO 115 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1g3i s GLU 116 N -3.80 2.22 0.04 -0.52 1.03 -1.26 -4.97 118.70 111.44 1g3i s GLU 116 Ca 0.33 -2.06 -0.02 0.00 0.03 0.00 0.00 54.97 53.25 1g3i s GLU 116 Cb -0.06 -1.90 0.04 0.00 -0.80 0.00 0.00 34.13 31.42 1g3i s GLU 116 CO 0.28 -0.35 0.24 -0.85 -1.33 0.00 0.00 175.26 173.24 1g3i n GLU 117 N -1.42 -0.03 0.39 -4.83 0.00 -1.26 -1.49 120.64 112.00 1g3i n GLU 117 Ca -0.06 0.24 -0.17 0.00 0.00 0.00 0.00 57.16 57.17 1g3i n GLU 117 Cb 0.65 -0.36 -0.08 0.00 0.00 0.00 0.00 31.44 31.65 1g3i n GLU 117 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1g3i h ASP 118 N 0.00 -1.03 -0.55 -1.84 3.04 -1.98 -3.48 116.42 110.58 1g3i h ASP 118 Ca 0.06 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 1g3i h ASP 118 Cb 0.10 0.29 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 1g3i h ASP 118 CO -0.16 -0.66 0.00 0.00 -2.04 0.00 0.00 179.24 176.39 1g3i n GLN 119 N -5.06 0.00 -5.03 4.15 6.02 -0.55 -4.79 117.38 112.11 1g3i n GLN 119 Ca -0.13 0.02 -0.28 0.00 -0.01 0.00 0.00 57.00 56.60 1g3i n GLN 119 Cb 0.43 -0.28 -0.16 0.00 1.02 0.00 0.00 30.24 31.26 1g3i n GLN 119 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g3i s ILE 120 N -2.18 1.70 0.00 5.09 1.01 -1.26 -2.69 121.20 122.86 1g3i s ILE 120 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1g3i s ILE 120 Cb 0.00 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1g3i s ILE 120 CO 0.00 0.48 -0.11 -0.76 0.00 0.00 0.00 174.94 174.55 1g3i s LEU 121 N -0.15 2.05 -0.16 2.97 1.43 0.11 -4.74 118.68 120.19 1g3i s LEU 121 Ca -0.01 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 1g3i s LEU 121 Cb -0.12 -0.56 0.04 0.00 0.03 0.00 0.00 46.19 45.59 1g3i s LEU 121 CO 0.02 0.11 0.41 0.00 0.23 0.00 0.00 176.35 177.12 1g3i s ALA 122 N -0.38 -1.01 0.11 4.21 0.00 -1.25 0.24 121.76 123.67 1g3i s ALA 122 Ca 0.03 1.21 -0.04 0.00 0.00 0.00 0.00 51.96 53.16 1g3i s ALA 122 Cb -0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1g3i s ALA 122 CO -0.00 -0.20 0.10 0.96 0.00 0.00 0.00 175.76 176.61 1g3i s ILE 123 N 0.40 0.13 0.00 0.00 -4.36 0.11 -4.82 121.20 112.67 1g3i s ILE 123 Ca -0.01 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1g3i s ILE 123 Cb -0.04 -1.75 0.00 0.00 1.25 0.00 0.00 42.46 41.92 1g3i s ILE 123 CO -0.01 -0.60 0.00 0.61 0.24 0.00 0.00 174.94 175.17 1g3i n GLY 124 N -0.06 -2.35 0.46 6.27 0.00 -1.26 -0.83 105.19 107.42 1g3i n GLY 124 Ca -0.10 -2.16 -0.19 0.00 0.00 0.00 0.00 46.02 43.57 1g3i n GLY 124 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g3i h SER 125 N 0.00 -1.00 0.00 1.61 4.64 -1.73 -2.65 113.55 114.42 1g3i h SER 125 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1g3i h SER 125 Cb 0.00 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1g3i h SER 125 CO 0.00 -0.69 0.00 0.61 -0.87 0.00 0.00 176.83 175.88 1g3i n GLY 126 N -1.58 1.36 0.00 -0.77 0.00 -0.85 -4.61 105.19 98.73 1g3i n GLY 126 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1g3i n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g3i n GLY 127 N 0.23 -1.08 0.45 -0.02 0.00 -1.00 -2.60 105.19 101.18 1g3i n GLY 127 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.35 1g3i n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3i n ASN 128 N 0.00 0.00 0.27 1.61 3.02 -1.26 0.74 115.26 119.64 1g3i n ASN 128 Ca 0.00 0.63 -0.11 0.00 -0.03 0.00 0.00 54.58 55.08 1g3i n ASN 128 Cb 0.00 -0.30 -0.05 0.00 -0.61 0.00 0.00 39.78 38.82 1g3i n ASN 128 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1g3i h TYR 129 N 0.00 -0.66 -0.84 3.10 0.99 -1.85 0.41 116.97 118.13 1g3i h TYR 129 Ca 0.57 -0.02 0.12 0.00 2.00 0.00 0.00 58.73 61.41 1g3i h TYR 129 Cb 2.43 0.22 -0.06 0.00 1.00 0.00 0.00 36.73 40.31 1g3i h TYR 129 CO 0.00 -0.41 0.55 0.00 -0.00 0.00 0.00 178.16 178.30 1g3i h ALA 130 N -1.57 1.83 0.89 3.88 0.00 0.58 -1.33 119.26 123.54 1g3i h ALA 130 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1g3i h ALA 130 Cb 0.54 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1g3i h ALA 130 CO 0.12 -0.04 -0.45 1.25 0.00 0.00 0.00 179.25 180.13 1g3i h LEU 131 N 0.68 -1.07 -1.58 0.00 5.85 -1.00 0.26 115.31 118.46 1g3i h LEU 131 Ca 0.41 0.04 0.23 0.00 0.84 0.00 0.00 57.88 59.40 1g3i h LEU 131 Cb 0.62 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 1g3i h LEU 131 CO -0.17 -0.74 0.63 0.28 -0.34 0.00 0.00 178.44 178.09 1g3i h SER 132 N -1.22 0.33 0.15 1.25 0.02 0.74 0.15 113.55 114.97 1g3i h SER 132 Ca -0.12 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1g3i h SER 132 Cb 0.94 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1g3i h SER 132 CO 0.19 0.12 -0.07 0.00 -1.14 0.00 0.00 176.83 175.92 1g3i h ALA 133 N 1.60 -0.20 -0.00 3.77 0.00 -0.79 -1.35 119.26 122.28 1g3i h ALA 133 Ca 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1g3i h ALA 133 Cb 1.36 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1g3i h ALA 133 CO -0.16 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.73 1g3i n ALA 134 N -2.47 -0.25 -0.35 0.00 0.00 0.89 -0.25 120.51 118.08 1g3i n ALA 134 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1g3i n ALA 134 Cb 0.26 0.25 0.19 0.00 0.00 0.00 0.00 19.45 20.15 1g3i n ALA 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g3i n ARG 135 N -2.50 -0.09 -0.10 0.00 1.74 -0.13 0.15 116.66 115.74 1g3i n ARG 135 Ca 0.00 1.53 -0.06 0.00 -0.77 0.00 0.00 57.85 58.56 1g3i n ARG 135 Cb 0.00 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 1g3i n ARG 135 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g3i h ALA 136 N 1.99 0.12 -0.14 7.54 0.00 -0.09 -1.75 119.26 126.93 1g3i h ALA 136 Ca 0.52 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1g3i h ALA 136 Cb 0.90 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1g3i h ALA 136 CO -1.00 -0.54 0.00 1.28 0.00 0.00 0.00 179.25 179.00 1g3i n LEU 137 N -5.34 0.05 -0.26 0.00 4.32 0.40 -2.75 117.00 113.41 1g3i n LEU 137 Ca 0.01 0.81 0.20 0.00 -0.02 0.00 0.00 56.01 57.01 1g3i n LEU 137 Cb 0.25 -0.48 0.37 0.00 -1.62 0.00 0.00 43.42 41.95 1g3i n LEU 137 CO 0.14 -0.48 0.76 0.52 -1.22 0.00 0.00 177.39 177.11 1g3i n VAL 138 N -1.93 -0.33 0.12 4.08 0.31 0.86 -0.42 118.33 121.01 1g3i n VAL 138 Ca 0.00 1.67 -0.00 0.00 -0.01 0.00 0.00 64.34 66.00 1g3i n VAL 138 Cb 0.00 -2.60 -0.00 0.00 -0.91 0.00 0.00 33.84 30.33 1g3i n VAL 138 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1g3i h GLU 139 N 0.00 0.00 -0.08 5.55 5.08 -1.41 -3.37 114.58 120.36 1g3i h GLU 139 Ca 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1g3i h GLU 139 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1g3i h GLU 139 CO -0.67 0.64 0.00 0.09 -1.00 0.00 0.00 179.01 178.07 1g3i n ASN 140 N -3.28 2.25 -3.76 1.42 3.02 0.44 -5.05 115.26 110.30 1g3i n ASN 140 Ca 0.01 -2.07 -0.11 0.00 -0.03 0.00 0.00 54.58 52.38 1g3i n ASN 140 Cb 0.79 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.80 1g3i n ASN 140 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1g3i s THR 141 N -1.13 0.09 -1.10 3.41 -1.32 -0.14 -5.03 115.64 110.42 1g3i s THR 141 Ca 0.07 -0.72 -0.05 0.00 -1.21 0.00 0.00 61.69 59.79 1g3i s THR 141 Cb 0.05 -0.99 0.30 0.00 -1.51 0.00 0.00 72.50 70.34 1g3i s THR 141 CO 0.04 -0.40 1.50 -0.62 -2.21 0.00 0.00 174.62 172.94 1g3i n GLU 142 N 0.46 4.38 -4.41 7.08 -0.58 -1.26 -4.61 120.64 121.70 1g3i n GLU 142 Ca -0.18 -4.47 -0.32 0.00 -0.42 0.00 0.00 57.16 51.77 1g3i n GLU 142 Cb 0.60 -2.55 -0.10 0.00 -0.57 0.00 0.00 31.44 28.82 1g3i n GLU 142 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1g3i s LEU 143 N -2.53 3.14 0.34 -4.62 1.43 -1.26 -5.09 118.68 110.10 1g3i s LEU 143 Ca 0.32 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 1g3i s LEU 143 Cb 0.05 -1.84 -0.11 0.00 0.03 0.00 0.00 46.19 44.32 1g3i s LEU 143 CO 0.09 0.26 1.55 -1.54 0.23 0.00 0.00 176.35 176.94 1g3i n SER 144 N 1.34 3.89 0.08 2.29 3.41 -1.26 -4.78 113.62 118.60 1g3i n SER 144 Ca -0.15 1.19 0.21 0.00 -0.26 0.00 0.00 58.87 59.86 1g3i n SER 144 Cb 0.52 -1.62 0.71 0.00 -0.26 0.00 0.00 64.21 63.57 1g3i n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3i h ALA 145 N 3.77 2.14 0.14 7.33 0.00 -1.89 0.15 119.26 130.89 1g3i h ALA 145 Ca -0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1g3i h ALA 145 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1g3i h ALA 145 CO 0.71 -0.75 -0.07 1.25 0.00 0.00 0.00 179.25 180.38 1g3i h HIS 146 N 0.00 -0.17 -1.02 0.00 -0.00 -1.88 -2.73 115.15 109.35 1g3i h HIS 146 Ca 0.21 -0.00 0.26 0.00 -0.00 0.00 0.00 60.37 60.83 1g3i h HIS 146 Cb 1.26 0.06 -0.12 0.00 -0.00 0.00 0.00 27.41 28.61 1g3i h HIS 146 CO 0.00 -0.11 0.62 0.93 -0.00 0.00 0.00 177.93 179.37 1g3i h GLU 147 N -1.04 0.50 0.75 5.26 5.08 -1.54 0.11 114.58 123.70 1g3i h GLU 147 Ca -0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1g3i h GLU 147 Cb 0.14 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1g3i h GLU 147 CO 0.03 0.33 -0.36 0.82 -1.00 0.00 0.00 179.01 178.83 1g3i h ILE 148 N 0.52 0.00 -0.94 3.13 2.04 -1.13 0.12 117.51 121.25 1g3i h ILE 148 Ca 0.64 -0.24 0.27 0.00 1.00 0.00 0.00 64.86 66.54 1g3i h ILE 148 Cb 1.34 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1g3i h ILE 148 CO -0.44 0.00 0.68 0.58 0.00 0.00 0.00 178.15 178.97 1g3i h VAL 149 N -1.25 0.52 0.20 1.67 2.07 -0.93 0.85 116.25 119.39 1g3i h VAL 149 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1g3i h VAL 149 Cb 0.77 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1g3i h VAL 149 CO 0.17 0.00 -0.10 -0.08 0.02 0.00 0.00 177.57 177.58 1g3i h GLU 150 N 0.00 -0.26 -0.75 1.57 4.22 -0.66 -2.80 114.58 115.90 1g3i h GLU 150 Ca 0.45 0.02 0.17 0.00 0.08 0.00 0.00 59.36 60.07 1g3i h GLU 150 Cb 1.80 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 31.00 1g3i h GLU 150 CO -0.00 -0.18 0.15 0.87 -2.18 0.00 0.00 179.01 177.67 1g3i h LYS 151 N -0.72 0.23 -0.93 1.92 1.79 0.76 -0.59 116.57 119.02 1g3i h LYS 151 Ca -0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1g3i h LYS 151 Cb 0.21 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.76 1g3i h LYS 151 CO 0.05 0.15 0.59 0.77 -1.08 0.00 0.00 179.45 179.92 1g3i h SER 152 N 0.23 1.09 -0.11 0.86 0.02 0.54 -2.42 113.55 113.77 1g3i h SER 152 Ca 0.43 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.34 1g3i h SER 152 Cb 0.75 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1g3i h SER 152 CO -0.55 0.82 0.03 -0.07 -1.14 0.00 0.00 176.83 175.92 1g3i h LEU 153 N 1.27 0.04 0.09 5.07 3.38 -0.82 -2.60 115.31 121.74 1g3i h LEU 153 Ca 0.34 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.33 1g3i h LEU 153 Cb -0.10 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1g3i h LEU 153 CO -0.07 0.04 -0.52 -0.09 0.09 0.00 0.00 178.44 177.90 1g3i h ARG 154 N 0.09 -0.69 -0.97 1.13 2.43 -1.14 0.58 114.38 115.81 1g3i h ARG 154 Ca 0.05 0.05 0.22 0.00 -0.81 0.00 0.00 59.98 59.48 1g3i h ARG 154 Cb 0.03 0.16 -0.18 0.00 -0.42 0.00 0.00 29.97 29.55 1g3i h ARG 154 CO -0.05 -0.46 -0.15 0.82 -1.51 0.00 0.00 179.97 178.62 1g3i h ILE 155 N -0.71 0.04 -0.66 1.20 5.03 -1.36 0.29 117.51 121.34 1g3i h ILE 155 Ca -0.00 -0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.66 1g3i h ILE 155 Cb 0.73 0.03 -0.03 0.00 -3.03 0.00 0.00 36.82 34.53 1g3i h ILE 155 CO -0.30 0.00 0.13 0.00 -0.68 0.00 0.00 178.15 177.31 1g3i h ALA 156 N 1.96 0.87 0.00 1.87 0.00 -0.74 -2.86 119.26 120.36 1g3i h ALA 156 Ca 0.50 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1g3i h ALA 156 Cb 0.87 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1g3i h ALA 156 CO -0.96 0.61 -0.17 0.78 0.00 0.00 0.00 179.25 179.51 1g3i h GLY 157 N 0.99 0.00 -0.18 0.00 0.00 0.17 0.18 103.07 104.23 1g3i h GLY 157 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1g3i h GLY 157 CO 0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.77 1g3i n ASP 158 N -3.97 0.57 0.00 0.19 10.43 -0.76 -3.98 116.55 119.03 1g3i n ASP 158 Ca -0.02 -1.79 0.00 0.00 2.57 0.00 0.00 54.79 55.55 1g3i n ASP 158 Cb 0.26 -0.06 0.00 0.00 1.84 0.00 0.00 41.12 43.16 1g3i n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1g3i n ILE 159 N -0.28 0.00 -2.90 0.53 5.41 -0.77 -5.03 119.36 116.32 1g3i n ILE 159 Ca 0.08 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.42 1g3i n ILE 159 Cb 0.12 -0.22 -0.04 0.00 -0.71 0.00 0.00 39.64 38.78 1g3i n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i n VAL 161 N 4.46 0.28 -1.37 0.00 0.24 -1.26 -2.32 118.33 118.36 1g3i n VAL 161 Ca 0.04 0.07 -0.02 0.00 -2.04 0.00 0.00 64.34 62.38 1g3i n VAL 161 Cb 0.49 -0.71 0.21 0.00 -1.47 0.00 0.00 33.84 32.36 1g3i n VAL 161 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1g3i n PHE 162 N -1.25 1.06 -3.79 6.34 3.72 -1.26 -4.97 117.46 117.30 1g3i n PHE 162 Ca 0.11 -1.47 -0.13 0.00 -0.05 0.00 0.00 57.45 55.91 1g3i n PHE 162 Cb 0.16 -0.46 -0.12 0.00 -0.94 0.00 0.00 39.48 38.12 1g3i n PHE 162 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1g3i s THR 163 N -3.17 -0.00 0.46 4.37 2.01 -0.98 -0.88 115.64 117.45 1g3i s THR 163 Ca 0.44 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.50 1g3i s THR 163 Cb 0.39 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.54 1g3i s THR 163 CO 0.01 0.00 0.17 0.54 -0.69 0.00 0.00 174.62 174.65 1g3i s ASN 164 N 0.20 4.34 0.06 3.53 6.03 -1.26 -4.64 114.94 123.19 1g3i s ASN 164 Ca -0.01 -1.28 0.26 0.00 -1.03 0.00 0.00 52.86 50.81 1g3i s ASN 164 Cb -0.02 -0.06 0.71 0.00 -3.03 0.00 0.00 41.25 38.84 1g3i s ASN 164 CO -0.00 -0.72 1.58 0.35 -2.03 0.00 0.00 177.10 176.28 1g3i n THR 165 N -1.32 0.17 -2.78 0.54 -2.24 -1.26 -4.64 114.28 102.75 1g3i n THR 165 Ca -0.06 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1g3i n THR 165 Cb 0.65 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 1g3i n THR 165 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1g3i s ASN 166 N -3.53 6.51 0.36 3.42 3.84 -1.26 -4.98 114.94 119.30 1g3i s ASN 166 Ca 0.11 -1.65 0.09 0.00 0.21 0.00 0.00 52.86 51.61 1g3i s ASN 166 Cb 0.16 -2.46 -0.07 0.00 -0.55 0.00 0.00 41.25 38.33 1g3i s ASN 166 CO 0.64 -1.29 -0.05 0.72 -2.79 0.00 0.00 177.10 174.34 1g3i s PHE 167 N 3.72 2.45 -0.15 0.43 -0.12 -1.26 -2.19 117.98 120.86 1g3i s PHE 167 Ca 0.36 -0.54 0.01 0.00 -0.05 0.00 0.00 56.93 56.71 1g3i s PHE 167 Cb -0.05 -1.51 0.02 0.00 -0.63 0.00 0.00 43.02 40.85 1g3i s PHE 167 CO -0.06 0.53 -0.17 0.95 -0.05 0.00 0.00 175.22 176.42 1g3i s THR 168 N -2.63 1.76 -0.11 -4.49 -4.23 -0.59 -4.99 115.64 100.37 1g3i s THR 168 Ca 0.34 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1g3i s THR 168 Cb 0.04 -1.62 -0.01 0.00 1.34 0.00 0.00 72.50 72.25 1g3i s THR 168 CO 0.17 0.49 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.95 1g3i s ILE 169 N 1.33 2.73 -0.06 2.99 1.01 -1.26 -3.20 121.20 124.73 1g3i s ILE 169 Ca 0.03 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.95 1g3i s ILE 169 Cb -0.13 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1g3i s ILE 169 CO -0.10 0.54 -0.24 -1.61 0.00 0.00 0.00 174.94 173.54 1g3i s GLU 170 N 0.17 2.56 0.35 2.79 0.41 -1.07 -4.98 118.70 118.92 1g3i s GLU 170 Ca -0.09 -0.86 0.04 0.00 -0.41 0.00 0.00 54.97 53.64 1g3i s GLU 170 Cb -0.16 -2.12 -0.06 0.00 -1.78 0.00 0.00 34.13 30.02 1g3i s GLU 170 CO 0.06 0.32 0.05 -1.83 -0.49 0.00 0.00 175.26 173.37 1g3i s GLU 171 N -0.03 1.73 -0.04 1.61 -1.05 -1.26 -1.16 118.70 118.49 1g3i s GLU 171 Ca -0.07 -1.98 0.01 0.00 -0.15 0.00 0.00 54.97 52.79 1g3i s GLU 171 Cb -0.14 -0.99 0.02 0.00 -0.44 0.00 0.00 34.13 32.57 1g3i s GLU 171 CO 0.05 -0.19 -0.06 -0.51 0.95 0.00 0.00 175.26 175.50 1g3i s LEU 172 N -3.54 1.43 0.00 1.83 1.43 -0.40 -4.99 118.68 114.43 1g3i s LEU 172 Ca 0.35 -0.15 0.26 0.00 -1.03 0.00 0.00 54.13 53.55 1g3i s LEU 172 Cb 0.08 -0.49 0.53 0.00 0.03 0.00 0.00 46.19 46.34 1g3i s LEU 172 CO 0.16 -0.03 1.45 -0.81 0.23 0.00 0.00 176.35 177.35