#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 -0.28 -0.07 12.58 2.01 -1.26 -0.05 115.64 128.57 1g3i s THR 2 Ca 0.00 0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1g3i s THR 2 Cb 0.00 -0.34 0.02 0.00 0.01 0.00 0.00 72.50 72.19 1g3i s THR 2 CO 0.00 0.12 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.33 1g3i s ILE 3 N 2.31 0.88 0.08 1.82 1.01 0.48 -2.42 121.20 125.36 1g3i s ILE 3 Ca 0.03 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1g3i s ILE 3 Cb -0.12 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1g3i s ILE 3 CO -0.06 0.31 -0.08 0.54 0.00 0.00 0.00 174.94 175.64 1g3i s VAL 4 N 0.96 0.73 -0.12 2.92 0.11 0.21 -0.27 120.40 124.95 1g3i s VAL 4 Ca -0.10 -1.59 -0.06 0.00 -2.93 0.00 0.00 61.98 57.31 1g3i s VAL 4 Cb -0.15 -1.26 0.05 0.00 -1.53 0.00 0.00 36.38 33.49 1g3i s VAL 4 CO 0.00 -0.62 0.27 -0.55 -3.33 0.00 0.00 175.10 170.87 1g3i s SER 5 N -2.42 -0.15 0.24 3.54 0.15 0.22 -0.93 113.70 114.36 1g3i s SER 5 Ca 0.03 0.59 0.11 0.00 0.70 0.00 0.00 55.95 57.39 1g3i s SER 5 Cb -0.02 0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 1g3i s SER 5 CO -0.02 -0.19 -0.20 -0.69 1.20 0.00 0.00 173.24 173.35 1g3i s VAL 6 N 1.57 2.52 -0.14 4.45 1.01 -0.94 -1.16 120.40 127.71 1g3i s VAL 6 Ca -0.07 -2.18 -0.07 0.00 0.00 0.00 0.00 61.98 59.66 1g3i s VAL 6 Cb -0.11 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.05 1g3i s VAL 6 CO -0.09 -0.26 0.33 -0.60 0.00 0.00 0.00 175.10 174.47 1g3i s ARG 7 N -3.12 0.29 -0.29 2.72 3.52 -1.15 -1.12 118.95 119.80 1g3i s ARG 7 Ca 0.26 0.67 -0.16 0.00 -0.13 0.00 0.00 55.73 56.37 1g3i s ARG 7 Cb -0.07 -0.06 0.13 0.00 -1.56 0.00 0.00 34.95 33.40 1g3i s ARG 7 CO 0.13 -0.17 0.92 -0.98 -0.81 0.00 0.00 175.30 174.39 1g3i s ARG 8 N 1.42 0.43 -0.13 5.12 1.70 -0.84 -4.78 118.95 121.87 1g3i s ARG 8 Ca -0.09 0.77 -0.00 0.00 -0.47 0.00 0.00 55.73 55.94 1g3i s ARG 8 Cb -0.10 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 1g3i s ARG 8 CO -0.11 -0.09 0.11 0.09 -1.08 0.00 0.00 175.30 174.22 1g3i n ASN 9 N 3.89 -2.17 -1.52 -2.89 4.13 -1.26 -3.67 115.26 111.77 1g3i n ASN 9 Ca -0.18 -0.06 -0.19 0.00 1.68 0.00 0.00 54.58 55.83 1g3i n ASN 9 Cb 0.58 -0.97 -0.07 0.00 -1.54 0.00 0.00 39.78 37.77 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 -0.88 1.63 3.21 7.41 0.00 -1.26 -4.97 105.19 110.34 1g3i n GLY 10 Ca -0.02 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.73 2.68 -0.04 1.61 -1.52 -1.24 -4.85 119.66 112.57 1g3i s GLN 11 Ca 0.00 -0.83 0.05 0.00 -1.95 0.00 0.00 55.36 52.63 1g3i s GLN 11 Cb 0.00 -2.13 -0.01 0.00 -0.22 0.00 0.00 33.01 30.66 1g3i s GLN 11 CO 0.00 0.24 -0.19 0.08 -0.25 0.00 0.00 175.29 175.17 1g3i s VAL 12 N 0.18 1.55 -0.00 1.09 1.01 -1.25 -1.99 120.40 120.98 1g3i s VAL 12 Ca -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1g3i s VAL 12 Cb -0.16 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1g3i s VAL 12 CO 0.06 0.44 -0.01 -0.69 0.00 0.00 0.00 175.10 174.90 1g3i s VAL 13 N -0.06 0.12 -0.07 2.92 1.01 -0.28 0.84 120.40 124.88 1g3i s VAL 13 Ca -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1g3i s VAL 13 Cb -0.11 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.16 1g3i s VAL 13 CO 0.02 0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.32 1g3i s VAL 14 N 0.05 1.35 0.04 2.92 1.01 0.13 -2.22 120.40 123.68 1g3i s VAL 14 Ca -0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1g3i s VAL 14 Cb -0.02 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1g3i s VAL 14 CO -0.00 0.40 0.07 -0.83 0.00 0.00 0.00 175.10 174.74 1g3i s GLY 15 N 0.58 0.23 0.16 4.51 0.00 -0.10 -2.02 107.32 110.68 1g3i s GLY 15 Ca -0.15 -0.70 -0.19 0.00 0.00 0.00 0.00 44.72 43.68 1g3i s GLY 15 CO 0.05 -0.83 0.52 -0.32 0.00 0.00 0.00 173.10 172.52 1g3i s GLY 16 N -2.32 -0.36 0.00 0.20 0.00 -1.03 -0.62 107.32 103.20 1g3i s GLY 16 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1g3i s GLY 16 CO -0.06 -0.11 0.00 2.09 0.00 0.00 0.00 173.10 175.02 1g3i n ASP 17 N -0.32 0.00 -0.44 1.64 5.75 -1.01 -1.71 116.55 120.45 1g3i n ASP 17 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1g3i n ASP 17 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 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 3.04 0.88 3.64 6.12 0.00 -1.04 -4.04 105.19 113.80 1g3i n GLY 18 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.17 -0.56 1.61 0.74 -1.26 -1.36 119.66 123.01 1g3i s GLN 19 Ca 0.00 0.66 -0.11 0.00 0.05 0.00 0.00 55.36 55.96 1g3i s GLN 19 Cb 0.00 -3.62 0.14 0.00 1.10 0.00 0.00 33.01 30.64 1g3i s GLN 19 CO 0.00 -0.35 0.46 0.08 -0.55 0.00 0.00 175.29 174.92 1g3i s VAL 20 N 2.30 4.59 0.20 1.34 1.01 0.12 -4.68 120.40 125.27 1g3i s VAL 20 Ca 0.29 -1.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.05 1g3i s VAL 20 Cb -0.16 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1g3i s VAL 20 CO 0.09 -0.85 0.83 -0.44 0.00 0.00 0.00 175.10 174.73 1g3i s SER 21 N 2.58 7.44 -0.46 3.32 0.01 -1.26 -1.94 113.70 123.39 1g3i s SER 21 Ca 0.08 1.73 0.03 0.00 1.31 0.00 0.00 55.95 59.10 1g3i s SER 21 Cb -0.24 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.59 1g3i s SER 21 CO -0.02 0.17 0.24 -0.22 0.41 0.00 0.00 173.24 173.82 1g3i s LEU 22 N -1.27 3.18 0.00 2.44 2.96 -0.09 -4.88 118.68 121.03 1g3i s LEU 22 Ca 0.39 -2.71 0.00 0.00 -0.22 0.00 0.00 54.13 51.59 1g3i s LEU 22 Cb -0.23 -1.22 0.00 0.00 0.50 0.00 0.00 46.19 45.24 1g3i s LEU 22 CO 0.27 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.65 1g3i n GLY 23 N 3.46 2.01 0.01 7.98 0.00 -1.26 -2.47 105.19 114.91 1g3i n GLY 23 Ca 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 9.51 2.04 -4.93 1.61 5.03 -1.26 -5.01 115.26 122.25 1g3i n ASN 24 Ca 0.00 -2.09 -0.22 0.00 0.87 0.00 0.00 54.58 53.14 1g3i n ASN 24 Cb 0.00 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 1g3i n ASN 24 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1g3i s THR 25 N -1.16 2.18 -0.29 3.41 -4.23 -1.03 -5.11 115.64 109.41 1g3i s THR 25 Ca 0.03 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1g3i s THR 25 Cb 0.02 -2.48 0.09 0.00 1.34 0.00 0.00 72.50 71.47 1g3i s THR 25 CO 0.00 0.00 0.03 -0.69 -0.54 0.00 0.00 174.62 173.43 1g3i s VAL 26 N -2.62 1.48 0.32 2.29 1.01 -1.26 -0.91 120.40 120.70 1g3i s VAL 26 Ca 0.47 -1.59 0.21 0.00 0.00 0.00 0.00 61.98 61.07 1g3i s VAL 26 Cb -0.04 -1.98 0.20 0.00 0.00 0.00 0.00 36.38 34.57 1g3i s VAL 26 CO 0.28 -0.45 1.92 -0.03 0.00 0.00 0.00 175.10 176.81 1g3i h MET 27 N 7.91 0.00 -1.88 2.72 -1.53 -1.73 -3.46 114.93 116.97 1g3i h MET 27 Ca -0.12 0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.20 1g3i h MET 27 Cb 1.04 0.00 -0.20 0.00 -0.55 0.00 0.00 31.60 31.89 1g3i h MET 27 CO 0.46 0.24 0.45 0.21 0.14 0.00 0.00 176.91 178.42 1g3i s LYS 28 N -4.03 0.77 0.00 0.39 2.20 -1.20 -5.02 119.74 112.85 1g3i s LYS 28 Ca -0.02 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1g3i s LYS 28 Cb 0.13 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 1g3i s LYS 28 CO 0.65 -0.27 0.37 0.41 -0.36 0.00 0.00 175.35 176.15 1g3i n GLY 29 N 0.47 -0.39 1.38 5.54 0.00 -1.25 0.12 105.19 111.05 1g3i n GLY 29 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.04 3.49 -4.82 1.61 0.23 -1.07 -4.13 115.26 110.52 1g3i n ASN 30 Ca 0.00 -3.82 -0.31 0.00 -0.53 0.00 0.00 54.58 49.92 1g3i n ASN 30 Cb 0.13 -0.45 0.05 0.00 -2.08 0.00 0.00 39.78 37.42 1g3i n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1g3i s ALA 31 N -3.43 2.70 -0.59 -2.53 0.00 -0.46 -5.01 121.76 112.43 1g3i s ALA 31 Ca 0.45 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 1g3i s ALA 31 Cb 0.40 -3.17 0.15 0.00 0.00 0.00 0.00 23.12 20.50 1g3i s ALA 31 CO -0.01 -1.20 0.44 1.03 0.00 0.00 0.00 175.76 176.02 1g3i s ARG 32 N -5.05 2.63 0.00 0.00 0.52 -1.26 -4.28 118.95 111.51 1g3i s ARG 32 Ca 0.58 -2.26 0.23 0.00 -0.52 0.00 0.00 55.73 53.76 1g3i s ARG 32 Cb -0.14 -3.86 1.39 0.00 0.52 0.00 0.00 34.95 32.86 1g3i s ARG 32 CO 0.55 -1.18 1.87 1.63 0.02 0.00 0.00 175.30 178.19 1g3i n LYS 33 N 4.02 0.97 -4.27 3.54 5.02 -1.26 -4.72 118.16 121.46 1g3i n LYS 33 Ca 0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 1g3i n LYS 33 Cb 0.40 -1.38 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.00 0.65 0.24 -0.18 1.01 -1.26 -1.30 120.40 117.56 1g3i s VAL 34 Ca 0.35 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1g3i s VAL 34 Cb 0.16 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1g3i s VAL 34 CO 0.27 0.23 0.13 -0.13 0.00 0.00 0.00 175.10 175.60 1g3i s ARG 35 N 0.60 1.35 -0.12 2.72 0.52 0.34 -4.95 118.95 119.41 1g3i s ARG 35 Ca -0.09 -1.73 -0.05 0.00 -0.52 0.00 0.00 55.73 53.34 1g3i s ARG 35 Cb -0.12 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.38 1g3i s ARG 35 CO 0.01 -0.39 0.07 1.03 0.02 0.00 0.00 175.30 176.04 1g3i s ARG 36 N -4.03 3.39 0.47 3.54 0.52 -1.26 -1.68 118.95 119.89 1g3i s ARG 36 Ca 0.38 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.33 1g3i s ARG 36 Cb 0.07 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 1g3i s ARG 36 CO 0.14 0.64 0.04 -0.51 0.02 0.00 0.00 175.30 175.63 1g3i s LEU 37 N -0.66 2.21 -0.86 2.53 1.43 -0.76 -4.73 118.68 117.83 1g3i s LEU 37 Ca 0.12 -1.65 -0.13 0.00 -1.03 0.00 0.00 54.13 51.44 1g3i s LEU 37 Cb -0.12 -0.53 0.02 0.00 0.03 0.00 0.00 46.19 45.59 1g3i s LEU 37 CO 0.02 -0.87 0.55 0.00 0.23 0.00 0.00 176.35 176.29 1g3i n TYR 38 N -1.14 -1.53 -3.58 0.29 -0.00 -1.26 -2.15 117.16 107.79 1g3i n TYR 38 Ca -0.14 0.45 -0.26 0.00 -0.00 0.00 0.00 57.90 57.94 1g3i n TYR 38 Cb 0.66 -2.40 0.05 0.00 -0.00 0.00 0.00 39.34 37.65 1g3i n TYR 38 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1g3i n ASN 39 N -2.05 -5.13 -4.31 2.98 3.02 -1.26 -3.02 115.26 105.50 1g3i n ASN 39 Ca -0.21 -0.92 -0.37 0.00 -0.03 0.00 0.00 54.58 53.05 1g3i n ASN 39 Cb 0.56 -3.90 -0.05 0.00 -0.61 0.00 0.00 39.78 35.78 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 -1.56 -0.38 0.00 7.41 0.00 -0.91 -4.84 105.19 104.91 1g3i n GLY 40 Ca -0.11 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1g3i n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1g3i n LYS 41 N -4.31 -0.59 -4.23 1.61 0.00 -0.98 -4.95 118.16 104.72 1g3i n LYS 41 Ca 0.02 -0.41 -0.18 0.00 -0.00 0.00 0.00 58.31 57.74 1g3i n LYS 41 Cb 0.52 -0.90 -0.15 0.00 -0.00 0.00 0.00 35.03 34.49 1g3i n LYS 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1g3i s VAL 42 N -0.03 0.56 -0.14 0.58 -7.23 -1.20 -4.23 120.40 108.71 1g3i s VAL 42 Ca 0.00 -0.23 -0.11 0.00 -1.81 0.00 0.00 61.98 59.83 1g3i s VAL 42 Cb 0.00 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 1g3i s VAL 42 CO 0.00 0.19 0.22 -0.76 -0.31 0.00 0.00 175.10 174.44 1g3i s LEU 43 N 0.28 4.31 -0.05 1.32 1.43 0.39 -1.84 118.68 124.52 1g3i s LEU 43 Ca -0.04 0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1g3i s LEU 43 Cb -0.08 -2.25 0.03 0.00 0.03 0.00 0.00 46.19 43.92 1g3i s LEU 43 CO -0.00 0.24 -0.00 0.00 0.23 0.00 0.00 176.35 176.81 1g3i s ALA 44 N -0.18 0.53 -0.10 4.21 0.00 -0.68 -0.38 121.76 125.17 1g3i s ALA 44 Ca 0.15 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.15 1g3i s ALA 44 Cb -0.13 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1g3i s ALA 44 CO 0.04 -0.25 -0.23 0.20 0.00 0.00 0.00 175.76 175.52 1g3i s GLY 45 N 1.47 1.28 -0.03 0.00 0.00 0.94 -0.50 107.32 110.48 1g3i s GLY 45 Ca -0.03 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 43.83 1g3i s GLY 45 CO -0.03 -0.27 -0.20 -0.11 0.00 0.00 0.00 173.10 172.49 1g3i s PHE 46 N 0.39 2.51 -0.03 1.90 -0.71 -0.42 -0.49 117.98 121.13 1g3i s PHE 46 Ca -0.18 -0.30 -0.00 0.00 -1.04 0.00 0.00 56.93 55.41 1g3i s PHE 46 Cb -0.18 -1.55 0.03 0.00 -1.21 0.00 0.00 43.02 40.11 1g3i s PHE 46 CO 0.08 0.09 0.02 0.00 -1.34 0.00 0.00 175.22 174.07 1g3i s ALA 47 N -0.70 0.29 0.00 1.99 0.00 -0.27 -4.88 121.76 118.19 1g3i s ALA 47 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1g3i s ALA 47 Cb -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1g3i s ALA 47 CO 0.00 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1g3i n GLY 48 N 4.43 -0.17 3.68 0.00 0.00 -1.26 -0.26 105.19 111.61 1g3i n GLY 48 Ca -0.21 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 2.07 0.26 -0.02 0.00 -1.14 -4.84 107.32 103.65 1g3i s GLY 49 Ca 0.00 0.53 0.16 0.00 0.00 0.00 0.00 44.72 45.42 1g3i s GLY 49 CO 0.00 2.19 1.02 -1.30 0.00 0.00 0.00 173.10 175.02 1g3i n THR 50 N 4.73 -0.23 0.00 0.90 -2.24 -1.26 0.85 114.28 117.03 1g3i n THR 50 Ca 0.11 1.27 0.00 0.00 -2.27 0.00 0.00 64.05 63.16 1g3i n THR 50 Cb 0.46 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 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 -2.53 -0.00 -0.45 6.98 0.00 -1.26 -3.62 120.51 119.63 1g3i n ALA 51 Ca 0.25 0.00 0.38 0.00 0.00 0.00 0.00 53.44 54.07 1g3i n ALA 51 Cb 0.91 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.98 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 -0.51 0.18 0.23 0.00 9.92 -0.83 0.12 116.55 125.66 1g3i n ASP 52 Ca 0.00 1.23 -0.14 0.00 -0.53 0.00 0.00 54.79 55.35 1g3i n ASP 52 Cb 0.00 -0.61 -0.08 0.00 -0.64 0.00 0.00 41.12 39.80 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 1.40 -1.07 -0.28 2.24 0.00 0.29 0.79 119.26 122.64 1g3i h ALA 53 Ca 0.80 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.62 1g3i h ALA 53 Cb 2.65 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 21.00 1g3i h ALA 53 CO -0.39 -1.09 -0.06 0.74 0.00 0.00 0.00 179.25 178.45 1g3i h PHE 54 N -0.78 -0.13 -0.34 0.00 -1.00 0.80 0.20 116.94 115.69 1g3i h PHE 54 Ca -0.05 0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.84 1g3i h PHE 54 Cb 0.68 0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.32 1g3i h PHE 54 CO -0.20 -0.11 0.24 0.00 -1.61 0.00 0.00 178.31 176.63 1g3i h THR 55 N 0.01 0.86 0.14 -1.55 1.03 -1.03 0.87 112.91 113.25 1g3i h THR 55 Ca 0.13 -0.02 -0.01 0.00 -0.01 0.00 0.00 66.41 66.50 1g3i h THR 55 Cb 0.20 0.79 0.00 0.00 -1.07 0.00 0.00 68.15 68.07 1g3i h THR 55 CO -0.28 0.01 -0.07 0.25 -0.01 0.00 0.00 175.52 175.43 1g3i h LEU 56 N 0.06 -0.16 -0.63 0.00 6.46 0.69 -2.33 115.31 119.41 1g3i h LEU 56 Ca 0.16 -0.35 0.13 0.00 -0.12 0.00 0.00 57.88 57.70 1g3i h LEU 56 Cb 0.55 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 40.42 1g3i h LEU 56 CO -0.01 0.43 -0.05 0.15 -0.62 0.00 0.00 178.44 178.33 1g3i h PHE 57 N -0.91 -0.14 -0.38 1.25 3.04 0.07 -0.81 116.94 119.06 1g3i h PHE 57 Ca -0.02 0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 1g3i h PHE 57 Cb 0.51 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 1g3i h PHE 57 CO 0.09 -0.21 0.12 0.93 -2.02 0.00 0.00 178.31 177.22 1g3i h GLU 58 N 0.07 0.55 -0.24 1.11 5.08 0.72 -2.40 114.58 119.48 1g3i h GLU 58 Ca 0.32 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1g3i h GLU 58 Cb 0.52 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1g3i h GLU 58 CO -0.57 0.49 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.79 1g3i h LEU 59 N 0.54 0.47 -2.57 1.33 4.07 -0.60 -2.18 115.31 116.38 1g3i h LEU 59 Ca 0.13 -0.37 0.01 0.00 0.08 0.00 0.00 57.88 57.73 1g3i h LEU 59 Cb 0.17 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 1g3i h LEU 59 CO -0.01 0.73 0.07 0.15 -1.08 0.00 0.00 178.44 178.30 1g3i h PHE 60 N 0.20 0.00 0.10 1.13 3.57 -0.84 -0.92 116.94 120.19 1g3i h PHE 60 Ca 0.06 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 1g3i h PHE 60 Cb 0.53 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.28 1g3i h PHE 60 CO 0.05 0.00 -0.83 1.49 -2.23 0.00 0.00 178.31 176.79 1g3i h GLU 61 N 0.00 0.21 -0.78 1.11 4.81 -1.16 -1.34 114.58 117.43 1g3i h GLU 61 Ca 0.02 -0.36 0.23 0.00 -0.13 0.00 0.00 59.36 59.11 1g3i h GLU 61 Cb 0.16 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1g3i h GLU 61 CO -0.00 1.17 0.58 0.00 -0.73 0.00 0.00 179.01 180.03 1g3i h ARG 62 N -0.51 0.00 0.01 1.92 3.08 -0.57 0.31 114.38 118.62 1g3i h ARG 62 Ca -0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1g3i h ARG 62 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 1g3i h ARG 62 CO 0.08 0.00 -0.01 -0.22 -1.07 0.00 0.00 179.97 178.75 1g3i h LYS 63 N 0.00 -0.02 -1.01 0.04 1.63 -1.30 -2.60 116.57 113.31 1g3i h LYS 63 Ca 0.37 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.29 1g3i h LYS 63 Cb 1.52 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.07 1g3i h LYS 63 CO -0.00 0.77 0.64 -0.07 -3.45 0.00 0.00 179.45 177.33 1g3i h LEU 64 N -0.93 0.94 -1.51 5.20 3.38 0.01 0.23 115.31 122.63 1g3i h LEU 64 Ca -0.00 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1g3i h LEU 64 Cb 0.80 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1g3i h LEU 64 CO 0.00 0.51 -0.14 -0.33 0.09 0.00 0.00 178.44 178.57 1g3i h GLU 65 N 1.02 0.14 0.00 1.13 4.39 -0.48 -1.34 114.58 119.43 1g3i h GLU 65 Ca 0.49 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1g3i h GLU 65 Cb 0.46 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1g3i h GLU 65 CO -0.26 0.29 -0.22 0.52 -1.16 0.00 0.00 179.01 178.18 1g3i h MET 66 N 0.13 0.00 -1.78 2.33 2.86 -0.19 -3.39 114.93 114.89 1g3i h MET 66 Ca 0.03 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.13 1g3i h MET 66 Cb 0.34 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.59 1g3i h MET 66 CO 0.02 0.00 -0.85 0.72 1.06 0.00 0.00 176.91 177.86 1g3i n HIS 67 N -2.33 2.75 -1.81 -0.22 8.25 -0.56 -4.93 115.22 116.37 1g3i n HIS 67 Ca 0.05 -3.49 -0.05 0.00 -0.26 0.00 0.00 57.72 53.97 1g3i n HIS 67 Cb 0.45 -0.32 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1g3i n HIS 67 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1g3i n GLN 68 N -0.21 -1.92 -3.24 -0.41 6.02 -1.24 -0.81 117.38 115.56 1g3i n GLN 68 Ca 0.29 0.24 -0.23 0.00 -0.01 0.00 0.00 57.00 57.29 1g3i n GLN 68 Cb 0.59 -4.56 0.05 0.00 1.02 0.00 0.00 30.24 27.35 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 -0.35 -0.53 3.56 1.08 0.00 -0.54 -4.89 105.19 103.52 1g3i n GLY 69 Ca -0.05 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.23 2.58 0.00 1.61 3.76 0.01 -4.86 115.29 115.15 1g3i s HIS 70 Ca 0.41 -1.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1g3i s HIS 70 Cb -0.18 -4.70 0.00 0.00 1.11 0.00 0.00 32.58 28.80 1g3i s HIS 70 CO 0.51 -1.91 0.38 -0.11 -0.85 0.00 0.00 174.74 172.77 1g3i n LEU 71 N 8.85 0.00 -0.28 0.89 -0.00 -1.26 -1.10 117.00 124.10 1g3i n LEU 71 Ca 0.37 0.38 -0.10 0.00 -0.00 0.00 0.00 56.01 56.66 1g3i n LEU 71 Cb 0.50 -0.17 -0.09 0.00 -0.00 0.00 0.00 43.42 43.66 1g3i n LEU 71 CO 0.68 -0.17 0.49 0.25 -0.00 0.00 0.00 177.39 178.64 1g3i h LEU 72 N 0.00 -1.79 0.43 -1.96 7.12 -1.99 -1.10 115.31 116.01 1g3i h LEU 72 Ca 0.00 0.26 -0.01 0.00 0.13 0.00 0.00 57.88 58.26 1g3i h LEU 72 Cb 0.00 0.77 -0.01 0.00 -0.53 0.00 0.00 40.66 40.89 1g3i h LEU 72 CO 0.00 -0.25 -0.33 0.50 -0.13 0.00 0.00 178.44 178.23 1g3i h LYS 73 N -0.12 -0.73 -0.86 1.25 3.64 -1.58 -2.16 116.57 116.02 1g3i h LYS 73 Ca 0.11 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.68 1g3i h LYS 73 Cb 0.41 0.16 -0.15 0.00 -0.41 0.00 0.00 32.23 32.25 1g3i h LYS 73 CO -0.71 -0.48 -0.36 0.77 -2.27 0.00 0.00 179.45 176.39 1g3i h SER 74 N -0.75 -1.32 -0.26 4.20 0.02 -0.59 0.38 113.55 115.23 1g3i h SER 74 Ca -0.04 0.28 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 1g3i h SER 74 Cb 0.65 0.69 -0.07 0.00 0.14 0.00 0.00 62.40 63.81 1g3i h SER 74 CO -0.00 -0.29 -0.21 0.00 -1.14 0.00 0.00 176.83 175.19 1g3i h ALA 75 N 1.28 -0.05 -0.15 3.77 0.00 -0.88 0.08 119.26 123.30 1g3i h ALA 75 Ca 0.31 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1g3i h ALA 75 Cb 0.59 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1g3i h ALA 75 CO -0.88 -0.62 0.03 0.28 0.00 0.00 0.00 179.25 178.05 1g3i h VAL 76 N -0.20 0.93 -0.85 0.00 2.07 0.20 -0.04 116.25 118.36 1g3i h VAL 76 Ca 0.14 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.76 1g3i h VAL 76 Cb 0.42 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 1g3i h VAL 76 CO -0.37 0.02 0.55 -0.33 0.02 0.00 0.00 177.57 177.45 1g3i h GLU 77 N 0.09 0.65 0.46 1.57 4.39 0.06 0.74 114.58 122.54 1g3i h GLU 77 Ca 0.07 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1g3i h GLU 77 Cb 0.06 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1g3i h GLU 77 CO -0.09 0.43 -0.22 1.25 -1.16 0.00 0.00 179.01 179.22 1g3i h LEU 78 N 0.67 -0.53 -1.19 1.33 5.85 0.22 -2.55 115.31 119.11 1g3i h LEU 78 Ca 0.42 -0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.20 1g3i h LEU 78 Cb 0.66 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 1g3i h LEU 78 CO -0.18 -0.18 0.60 0.00 -0.34 0.00 0.00 178.44 178.34 1g3i h ALA 79 N -0.54 1.74 -0.60 1.25 0.00 -0.16 -0.52 119.26 120.43 1g3i h ALA 79 Ca -0.06 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1g3i h ALA 79 Cb 0.58 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1g3i h ALA 79 CO 0.10 -0.00 0.26 1.57 0.00 0.00 0.00 179.25 181.18 1g3i h LYS 80 N 0.77 0.46 -0.87 0.00 5.09 0.66 -1.28 116.57 121.40 1g3i h LYS 80 Ca 0.48 -0.03 0.21 0.00 0.09 0.00 0.00 60.65 61.40 1g3i h LYS 80 Cb 0.70 -0.10 -0.05 0.00 0.10 0.00 0.00 32.23 32.87 1g3i h LYS 80 CO -0.24 0.30 0.59 -0.44 -2.09 0.00 0.00 179.45 177.57 1g3i h ASP 81 N 0.47 0.27 0.19 7.07 3.45 -0.67 -0.60 116.42 126.60 1g3i h ASP 81 Ca 0.29 0.03 -0.30 0.00 0.43 0.00 0.00 57.03 57.48 1g3i h ASP 81 Cb 0.31 -0.02 0.02 0.00 -0.56 0.00 0.00 39.33 39.08 1g3i h ASP 81 CO -0.26 0.11 -1.42 -0.50 -1.57 0.00 0.00 179.24 175.59 1g3i h TRP 82 N 0.27 0.73 0.00 4.55 6.55 -1.41 -3.41 115.95 123.22 1g3i h TRP 82 Ca 0.44 -0.53 -0.15 0.00 0.95 0.00 0.00 58.89 59.60 1g3i h TRP 82 Cb 1.30 -0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 29.55 1g3i h TRP 82 CO -0.00 1.55 0.73 -2.13 -1.05 0.00 0.00 178.44 177.54 1g3i n ARG 83 N -3.80 1.17 0.00 0.49 0.63 -0.23 -4.67 116.66 110.26 1g3i n ARG 83 Ca -0.20 -0.71 0.00 0.00 -0.92 0.00 0.00 57.85 56.02 1g3i n ARG 83 Cb 1.01 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 32.00 1g3i n ARG 83 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1g3i n THR 84 N 3.21 0.00 -0.09 5.15 -2.24 -1.26 -4.97 114.28 114.08 1g3i n THR 84 Ca 0.25 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.81 1g3i n THR 84 Cb 0.34 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.45 1g3i n THR 84 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1g3i n ASP 85 N 0.00 1.90 -4.52 3.42 5.68 -1.26 -4.77 116.55 117.01 1g3i n ASP 85 Ca 0.00 0.39 -0.22 0.00 -0.50 0.00 0.00 54.79 54.46 1g3i n ASP 85 Cb 0.00 -0.95 -0.17 0.00 -1.14 0.00 0.00 41.12 38.86 1g3i n ASP 85 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1g3i n ARG 86 N -4.28 0.19 -1.68 0.11 3.00 -1.26 -4.80 116.66 107.94 1g3i n ARG 86 Ca -0.33 -0.23 -0.42 0.00 -0.00 0.00 0.00 57.85 56.87 1g3i n ARG 86 Cb 0.74 -1.87 -0.00 0.00 0.00 0.00 0.00 32.46 31.33 1g3i n ARG 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1g3i n ALA 87 N 9.98 1.03 -2.33 5.13 0.00 -1.26 -4.84 120.51 128.21 1g3i n ALA 87 Ca 0.61 0.34 -0.31 0.00 0.00 0.00 0.00 53.44 54.07 1g3i n ALA 87 Cb 0.22 -2.21 -0.15 0.00 0.00 0.00 0.00 19.45 17.31 1g3i n ALA 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g3i s LEU 88 N -0.93 2.14 0.12 0.00 2.01 -1.26 -4.98 118.68 115.78 1g3i s LEU 88 Ca 0.57 -0.47 0.05 0.00 0.01 0.00 0.00 54.13 54.30 1g3i s LEU 88 Cb -0.57 -1.35 0.18 0.00 0.01 0.00 0.00 46.19 44.45 1g3i s LEU 88 CO 0.61 0.31 0.25 0.54 1.01 0.00 0.00 176.35 179.07 1g3i n ARG 89 N 2.29 0.00 -3.49 1.70 5.12 -1.26 -4.61 116.66 116.41 1g3i n ARG 89 Ca -0.16 0.20 -0.22 0.00 -1.93 0.00 0.00 57.85 55.74 1g3i n ARG 89 Cb 0.51 -0.50 0.06 0.00 -1.16 0.00 0.00 32.46 31.37 1g3i n ARG 89 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1g3i n LYS 90 N -1.67 -2.70 -1.54 5.56 -0.00 -1.26 -4.90 118.16 111.65 1g3i n LYS 90 Ca 0.05 0.68 -0.42 0.00 -0.00 0.00 0.00 58.31 58.62 1g3i n LYS 90 Cb 0.30 -5.14 0.00 0.00 -0.00 0.00 0.00 35.03 30.20 1g3i n LYS 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1g3i n LEU 91 N -3.81 1.39 -3.77 -5.58 4.32 -1.23 -4.80 117.00 103.53 1g3i n LEU 91 Ca -0.14 1.01 -0.39 0.00 -0.02 0.00 0.00 56.01 56.48 1g3i n LEU 91 Cb 0.62 -1.24 -0.01 0.00 -1.62 0.00 0.00 43.42 41.18 1g3i n LEU 91 CO 0.64 -2.05 0.93 -1.84 -1.22 0.00 0.00 177.39 173.85 1g3i n GLU 92 N 0.40 4.22 -3.45 3.23 0.00 -1.26 -3.88 120.64 119.89 1g3i n GLU 92 Ca 0.11 -4.62 -0.12 0.00 0.00 0.00 0.00 57.16 52.53 1g3i n GLU 92 Cb 0.38 -2.44 -0.02 0.00 0.00 0.00 0.00 31.44 29.35 1g3i n GLU 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1g3i s ALA 93 N -3.05 -1.52 0.22 -1.84 0.00 -1.26 -2.89 121.76 111.41 1g3i s ALA 93 Ca 0.35 0.45 0.09 0.00 0.00 0.00 0.00 51.96 52.85 1g3i s ALA 93 Cb 0.11 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 1g3i s ALA 93 CO 0.03 -0.74 -0.17 -1.64 0.00 0.00 0.00 175.76 173.24 1g3i s MET 94 N -3.67 1.43 0.09 0.00 1.00 0.64 -1.41 119.30 117.39 1g3i s MET 94 Ca 0.01 -1.62 0.06 0.00 0.00 0.00 0.00 55.69 54.14 1g3i s MET 94 Cb -0.01 -1.35 -0.03 0.00 0.00 0.00 0.00 34.83 33.44 1g3i s MET 94 CO -0.12 0.24 -0.17 -0.51 0.00 0.00 0.00 175.02 174.47 1g3i s LEU 95 N -3.30 2.31 -0.21 -0.03 1.43 0.15 -1.12 118.68 117.92 1g3i s LEU 95 Ca 0.24 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1g3i s LEU 95 Cb -0.03 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.59 1g3i s LEU 95 CO 0.09 -0.04 -0.08 -0.63 0.23 0.00 0.00 176.35 175.92 1g3i s ILE 96 N -1.41 1.55 0.12 -0.59 1.01 0.36 -0.80 121.20 121.44 1g3i s ILE 96 Ca 0.03 -1.07 0.10 0.00 0.00 0.00 0.00 60.65 59.71 1g3i s ILE 96 Cb -0.09 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1g3i s ILE 96 CO 0.03 0.05 -0.21 0.68 0.00 0.00 0.00 174.94 175.49 1g3i s VAL 97 N 1.41 2.63 -0.28 2.92 -7.23 -0.54 -0.04 120.40 119.27 1g3i s VAL 97 Ca -0.03 -1.58 -0.25 0.00 -1.81 0.00 0.00 61.98 58.30 1g3i s VAL 97 Cb -0.17 -2.19 0.15 0.00 0.56 0.00 0.00 36.38 34.73 1g3i s VAL 97 CO -0.07 0.11 1.18 0.00 -0.31 0.00 0.00 175.10 176.01 1g3i s ALA 98 N -1.10 -2.06 0.12 1.32 0.00 0.49 0.72 121.76 121.24 1g3i s ALA 98 Ca 0.16 1.80 0.01 0.00 0.00 0.00 0.00 51.96 53.93 1g3i s ALA 98 Cb -0.10 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 1g3i s ALA 98 CO 0.08 -0.19 0.02 -0.40 0.00 0.00 0.00 175.76 175.28 1g3i n ASP 99 N 1.93 1.69 -0.28 0.00 3.85 -0.71 0.15 116.55 123.17 1g3i n ASP 99 Ca -0.11 -1.57 0.07 0.00 -0.71 0.00 0.00 54.79 52.47 1g3i n ASP 99 Cb 0.56 0.18 0.19 0.00 -1.35 0.00 0.00 41.12 40.70 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 0.09 0.08 0.11 4.11 -1.93 -3.03 114.58 114.01 1g3i h GLU 100 Ca -0.10 -0.01 -0.33 0.00 0.07 0.00 0.00 59.36 58.99 1g3i h GLU 100 Cb 0.32 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1g3i h GLU 100 CO 0.16 0.06 -1.85 1.57 0.07 0.00 0.00 179.01 179.01 1g3i h LYS 101 N 0.09 0.17 -5.34 1.06 2.10 -1.96 -3.48 116.57 109.21 1g3i h LYS 101 Ca 0.45 -0.29 -0.66 0.00 -2.00 0.00 0.00 60.65 58.15 1g3i h LYS 101 Cb 0.83 0.11 -0.12 0.00 -0.90 0.00 0.00 32.23 32.14 1g3i h LYS 101 CO -0.72 0.95 -0.52 -1.21 -2.00 0.00 0.00 179.45 175.95 1g3i s GLU 102 N -2.58 2.16 -0.26 0.07 0.41 -1.15 -5.14 118.70 112.22 1g3i s GLU 102 Ca -0.15 -2.32 -0.07 0.00 -0.41 0.00 0.00 54.97 52.02 1g3i s GLU 102 Cb 0.07 -1.59 0.13 0.00 -1.78 0.00 0.00 34.13 30.95 1g3i s GLU 102 CO 0.80 -0.31 0.55 0.45 -0.49 0.00 0.00 175.26 176.25 1g3i s SER 103 N -3.87 -0.78 0.34 -0.19 0.15 -1.26 -1.74 113.70 106.35 1g3i s SER 103 Ca 0.13 1.18 0.04 0.00 0.70 0.00 0.00 55.95 58.00 1g3i s SER 103 Cb 0.03 1.88 -0.03 0.00 -1.71 0.00 0.00 66.02 66.19 1g3i s SER 103 CO 0.07 -0.24 0.16 -0.76 1.20 0.00 0.00 173.24 173.67 1g3i s LEU 104 N 2.77 1.82 -0.10 3.45 1.02 0.22 -4.35 118.68 123.52 1g3i s LEU 104 Ca 0.01 -1.61 -0.04 0.00 0.02 0.00 0.00 54.13 52.51 1g3i s LEU 104 Cb -0.13 0.10 0.05 0.00 0.02 0.00 0.00 46.19 46.23 1g3i s LEU 104 CO -0.17 -0.91 0.18 -0.51 0.02 0.00 0.00 176.35 174.96 1g3i s ILE 105 N -3.43 -0.29 -0.05 -0.59 2.07 -0.85 -1.47 121.20 116.59 1g3i s ILE 105 Ca 0.32 0.33 0.04 0.00 -1.41 0.00 0.00 60.65 59.93 1g3i s ILE 105 Cb 0.04 -0.33 -0.03 0.00 0.13 0.00 0.00 42.46 42.27 1g3i s ILE 105 CO 0.18 0.13 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.56 1g3i s ILE 106 N 2.32 3.00 0.29 2.00 1.01 0.02 -1.52 121.20 128.33 1g3i s ILE 106 Ca 0.03 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 60.02 1g3i s ILE 106 Cb -0.12 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1g3i s ILE 106 CO -0.06 0.59 0.11 0.42 0.00 0.00 0.00 174.94 175.99 1g3i s THR 107 N -0.73 3.49 0.20 2.92 -4.23 -0.87 0.32 115.64 116.74 1g3i s THR 107 Ca 0.11 -1.70 0.23 0.00 -1.18 0.00 0.00 61.69 59.15 1g3i s THR 107 Cb -0.11 -3.02 0.21 0.00 1.34 0.00 0.00 72.50 70.93 1g3i s THR 107 CO 0.00 -0.29 1.85 1.23 -0.54 0.00 0.00 174.62 176.87 1g3i h GLY 108 N 1.65 0.00 1.93 3.99 0.00 -1.35 -2.28 103.07 107.00 1g3i h GLY 108 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1g3i h GLY 108 CO 0.61 0.00 0.00 0.29 0.00 0.00 0.00 176.54 177.44 1g3i n ILE 109 N -3.50 0.50 -0.42 2.60 -5.35 -1.25 -3.58 119.36 108.36 1g3i n ILE 109 Ca -0.00 0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 1g3i n ILE 109 Cb 0.41 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 1g3i n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g3i n GLY 110 N 0.68 0.89 3.31 3.28 0.00 -0.86 -4.81 105.19 107.68 1g3i n GLY 110 Ca 0.06 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.26 -0.33 0.10 1.61 3.84 -1.25 -4.67 116.67 113.72 1g3i s ASP 111 Ca 0.00 0.34 0.04 0.00 -0.00 0.00 0.00 52.55 52.93 1g3i s ASP 111 Cb 0.00 0.45 -0.04 0.00 -1.38 0.00 0.00 42.92 41.95 1g3i s ASP 111 CO 0.00 -0.43 0.07 0.68 -0.00 0.00 0.00 175.17 175.50 1g3i s VAL 112 N -1.03 4.41 -0.05 2.11 -7.23 -1.26 -2.04 120.40 115.30 1g3i s VAL 112 Ca -0.11 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.15 1g3i s VAL 112 Cb -0.04 -3.15 0.03 0.00 0.56 0.00 0.00 36.38 33.78 1g3i s VAL 112 CO 0.05 0.07 0.12 -0.69 -0.31 0.00 0.00 175.10 174.34 1g3i s VAL 113 N -1.45 -0.04 0.22 1.32 1.01 -0.58 -4.99 120.40 115.89 1g3i s VAL 113 Ca 0.29 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 1g3i s VAL 113 Cb -0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 36.01 1g3i s VAL 113 CO 0.21 0.06 0.48 -1.10 0.00 0.00 0.00 175.10 174.75 1g3i s GLN 114 N 0.87 3.67 1.18 2.72 -0.21 -1.26 -2.01 119.66 124.62 1g3i s GLN 114 Ca -0.07 0.04 -0.18 0.00 0.02 0.00 0.00 55.36 55.17 1g3i s GLN 114 Cb -0.09 -2.73 0.27 0.00 1.00 0.00 0.00 33.01 31.47 1g3i s GLN 114 CO -0.04 0.34 1.09 -2.14 -2.12 0.00 0.00 175.29 172.42 1g3i s PRO 115 N -3.01 -1.00 0.00 2.91 0.02 -1.26 -5.00 135.00 127.65 1g3i s PRO 115 Ca 0.44 0.09 0.00 0.00 0.02 0.00 0.00 61.00 61.55 1g3i s PRO 115 Cb -0.11 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.80 1g3i s PRO 115 CO 0.25 -3.60 0.00 0.39 -0.33 0.00 0.00 177.00 173.72 1g3i n GLU 116 N -4.71 0.42 -0.06 5.54 1.02 -1.26 -4.93 120.64 116.66 1g3i n GLU 116 Ca 0.11 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1g3i n GLU 116 Cb 0.59 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 32.47 1g3i n GLU 116 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1g3i h GLU 117 N 0.00 0.48 -0.18 3.49 4.11 -1.99 -3.24 114.58 117.25 1g3i h GLU 117 Ca 0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.33 1g3i h GLU 117 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1g3i h GLU 117 CO 0.00 0.32 -0.21 0.38 0.07 0.00 0.00 179.01 179.56 1g3i h ASP 118 N 0.49 0.32 -2.37 3.06 3.04 -1.99 -3.47 116.42 115.50 1g3i h ASP 118 Ca 0.23 -0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 1g3i h ASP 118 Cb 0.30 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.50 1g3i h ASP 118 CO -0.06 0.54 0.00 0.00 -2.04 0.00 0.00 179.24 177.68 1g3i n GLN 119 N -4.18 0.00 -4.36 4.15 6.02 -1.22 -4.77 117.38 113.02 1g3i n GLN 119 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1g3i n GLN 119 Cb 0.35 -2.11 -0.17 0.00 1.02 0.00 0.00 30.24 29.33 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 -2.99 1.50 0.02 5.09 1.01 -1.26 -2.91 121.20 121.65 1g3i s ILE 120 Ca 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.08 1g3i s ILE 120 Cb 0.00 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1g3i s ILE 120 CO 0.00 0.44 -0.19 -0.76 0.00 0.00 0.00 174.94 174.44 1g3i s LEU 121 N 1.10 2.11 -0.10 2.97 1.43 -0.31 -4.64 118.68 121.23 1g3i s LEU 121 Ca -0.04 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 1g3i s LEU 121 Cb -0.14 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.21 1g3i s LEU 121 CO -0.03 0.17 0.24 0.00 0.23 0.00 0.00 176.35 176.95 1g3i s ALA 122 N -0.63 -0.55 0.08 4.21 0.00 -1.26 0.71 121.76 124.31 1g3i s ALA 122 Ca 0.06 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.93 1g3i s ALA 122 Cb -0.08 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1g3i s ALA 122 CO 0.01 -0.17 -0.07 0.96 0.00 0.00 0.00 175.76 176.49 1g3i s ILE 123 N 0.93 0.62 0.00 0.00 -4.36 0.63 -4.81 121.20 114.21 1g3i s ILE 123 Ca -0.07 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 1g3i s ILE 123 Cb -0.08 -1.29 0.00 0.00 1.25 0.00 0.00 42.46 42.34 1g3i s ILE 123 CO -0.06 -0.70 0.00 0.61 0.24 0.00 0.00 174.94 175.03 1g3i n GLY 124 N 0.50 0.92 0.07 6.27 0.00 -1.26 -0.39 105.19 111.30 1g3i n GLY 124 Ca -0.16 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.49 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 0.10 -0.23 1.61 4.64 -0.86 -2.82 113.55 115.98 1g3i h SER 125 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1g3i h SER 125 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1g3i h SER 125 CO 0.00 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1g3i n GLY 126 N -0.42 1.66 0.04 -0.77 0.00 -1.11 -4.56 105.19 100.02 1g3i n GLY 126 Ca -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 1g3i n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1g3i h GLY 127 N 4.81 -1.29 -0.53 -0.02 0.00 -1.70 -1.84 103.07 102.51 1g3i h GLY 127 Ca 0.00 0.57 0.29 0.00 0.00 0.00 0.00 47.33 48.19 1g3i h GLY 127 CO 0.14 -0.48 0.42 3.43 0.00 0.00 0.00 176.54 180.06 1g3i h ASN 128 N -0.05 0.28 0.00 0.19 2.35 -1.83 0.58 115.58 117.09 1g3i h ASN 128 Ca 0.00 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1g3i h ASN 128 Cb 0.06 0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1g3i h ASN 128 CO -0.02 -0.16 0.00 -1.22 -1.65 0.00 0.00 177.43 174.38 1g3i n TYR 129 N -5.14 0.00 -0.53 1.19 0.53 -0.99 0.16 117.16 112.38 1g3i n TYR 129 Ca 0.28 0.00 0.43 0.00 -1.02 0.00 0.00 57.90 57.59 1g3i n TYR 129 Cb 0.87 -0.36 0.74 0.00 -1.03 0.00 0.00 39.34 39.56 1g3i n TYR 129 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1g3i h ALA 130 N -1.81 3.25 0.39 -0.72 0.00 -0.17 0.25 119.26 120.45 1g3i h ALA 130 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1g3i h ALA 130 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1g3i h ALA 130 CO 0.00 -1.81 -0.19 1.25 0.00 0.00 0.00 179.25 178.51 1g3i h LEU 131 N 0.04 -0.44 -0.94 0.00 5.85 0.17 -0.42 115.31 119.57 1g3i h LEU 131 Ca 0.82 0.02 0.24 0.00 0.84 0.00 0.00 57.88 59.79 1g3i h LEU 131 Cb 2.99 0.11 -0.17 0.00 0.37 0.00 0.00 40.66 43.97 1g3i h LEU 131 CO -0.18 -0.17 -0.03 0.28 -0.34 0.00 0.00 178.44 177.99 1g3i h SER 132 N -0.81 -0.54 0.44 1.25 0.02 0.49 0.57 113.55 114.97 1g3i h SER 132 Ca -0.05 0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1g3i h SER 132 Cb 0.40 0.48 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 1g3i h SER 132 CO 0.09 -0.31 -0.27 0.00 -1.14 0.00 0.00 176.83 175.19 1g3i h ALA 133 N 1.93 -1.11 -0.47 3.77 0.00 -1.14 -0.91 119.26 121.33 1g3i h ALA 133 Ca 0.53 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.39 1g3i h ALA 133 Cb 1.02 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 19.10 1g3i h ALA 133 CO -0.89 -1.08 -0.37 0.00 0.00 0.00 0.00 179.25 176.91 1g3i h ALA 134 N -1.50 -0.24 -0.61 0.00 0.00 0.93 0.12 119.26 117.95 1g3i h ALA 134 Ca -0.06 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1g3i h ALA 134 Cb 0.53 0.81 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 1g3i h ALA 134 CO 0.06 -0.77 -0.16 0.00 0.00 0.00 0.00 179.25 178.38 1g3i h ARG 135 N -0.25 -0.00 0.42 0.00 3.08 0.09 0.12 114.38 117.83 1g3i h ARG 135 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1g3i h ARG 135 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1g3i h ARG 135 CO -0.60 -0.00 -0.39 0.00 -1.07 0.00 0.00 179.97 177.90 1g3i h ALA 136 N 1.60 -0.86 0.00 0.04 0.00 0.60 -0.97 119.26 119.67 1g3i h ALA 136 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1g3i h ALA 136 Cb 0.45 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1g3i h ALA 136 CO -0.63 -1.02 0.00 -0.07 0.00 0.00 0.00 179.25 177.53 1g3i h LEU 137 N -0.82 0.00 0.14 0.00 4.07 -0.19 -0.28 115.31 118.23 1g3i h LEU 137 Ca -0.04 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.61 1g3i h LEU 137 Cb 0.72 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 1g3i h LEU 137 CO -0.05 0.00 -1.63 0.58 -1.08 0.00 0.00 178.44 176.27 1g3i h VAL 138 N 0.00 0.93 -0.10 1.22 2.07 -0.28 -3.23 116.25 116.86 1g3i h VAL 138 Ca 0.00 -2.43 -0.16 0.00 0.82 0.00 0.00 66.70 64.94 1g3i h VAL 138 Cb 0.11 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1g3i h VAL 138 CO 0.00 0.78 -0.62 -0.33 0.02 0.00 0.00 177.57 177.42 1g3i h GLU 139 N -0.11 0.35 -0.58 1.57 5.08 -0.85 -3.33 114.58 116.71 1g3i h GLU 139 Ca -0.34 -0.24 -0.36 0.00 -1.00 0.00 0.00 59.36 57.42 1g3i h GLU 139 Cb 1.92 0.04 -0.22 0.00 0.50 0.00 0.00 28.75 30.99 1g3i h GLU 139 CO 0.10 0.86 -0.05 0.09 -1.00 0.00 0.00 179.01 179.00 1g3i n ASN 140 N -3.88 3.86 -3.64 1.42 3.02 -0.15 -5.02 115.26 110.87 1g3i n ASN 140 Ca -0.03 -3.78 -0.02 0.00 -0.03 0.00 0.00 54.58 50.72 1g3i n ASN 140 Cb 0.63 -0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 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 -3.79 0.00 -0.38 3.41 -1.32 -1.22 -4.94 115.64 107.40 1g3i s THR 141 Ca 0.50 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.96 1g3i s THR 141 Cb 0.43 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.61 1g3i s THR 141 CO 0.01 0.00 2.23 -0.62 -2.21 0.00 0.00 174.62 174.03 1g3i n GLU 142 N 0.80 2.04 -2.10 7.08 -0.58 -1.26 -4.64 120.64 121.97 1g3i n GLU 142 Ca -0.03 -1.92 -0.32 0.00 -0.42 0.00 0.00 57.16 54.47 1g3i n GLU 142 Cb 0.58 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 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 -2.08 3.50 0.38 -4.62 1.43 -1.26 -5.01 118.68 111.01 1g3i s LEU 143 Ca 0.41 1.73 -0.27 0.00 -1.03 0.00 0.00 54.13 54.97 1g3i s LEU 143 Cb 0.30 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.91 1g3i s LEU 143 CO -0.07 -1.02 1.33 -0.55 0.23 0.00 0.00 176.35 176.28 1g3i s SER 144 N -2.97 6.48 0.11 2.29 0.15 -1.26 -4.86 113.70 113.64 1g3i s SER 144 Ca 0.62 2.73 -0.32 0.00 0.70 0.00 0.00 55.95 59.68 1g3i s SER 144 Cb -0.14 -2.65 -0.10 0.00 -1.71 0.00 0.00 66.02 61.42 1g3i s SER 144 CO 0.37 -0.74 1.58 0.00 1.20 0.00 0.00 173.24 175.65 1g3i h ALA 145 N 2.97 -0.78 -0.78 5.45 0.00 -1.94 0.27 119.26 124.45 1g3i h ALA 145 Ca -0.50 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 54.50 1g3i h ALA 145 Cb 1.24 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 19.69 1g3i h ALA 145 CO 0.64 -1.01 0.30 1.25 0.00 0.00 0.00 179.25 180.42 1g3i h HIS 146 N -0.66 0.50 -0.10 0.00 -0.00 -1.91 -1.76 115.15 111.22 1g3i h HIS 146 Ca 0.02 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 1g3i h HIS 146 Cb 0.69 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 28.00 1g3i h HIS 146 CO -0.40 0.02 0.06 0.93 -0.00 0.00 0.00 177.93 178.53 1g3i h GLU 147 N 0.41 0.14 -0.68 5.26 5.08 -1.58 -1.82 114.58 121.39 1g3i h GLU 147 Ca 0.44 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.91 1g3i h GLU 147 Cb 0.71 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.84 1g3i h GLU 147 CO -0.44 0.16 0.24 0.82 -1.00 0.00 0.00 179.01 178.79 1g3i h ILE 148 N 0.07 0.68 0.39 3.13 2.04 -0.11 0.10 117.51 123.81 1g3i h ILE 148 Ca 0.03 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1g3i h ILE 148 Cb 0.06 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1g3i h ILE 148 CO -0.01 0.07 -0.47 0.58 0.00 0.00 0.00 178.15 178.33 1g3i h VAL 149 N 0.39 0.08 -0.65 1.67 2.07 -1.20 0.18 116.25 118.79 1g3i h VAL 149 Ca 0.36 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.95 1g3i h VAL 149 Cb 0.53 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.28 1g3i h VAL 149 CO -0.38 0.00 -0.55 -0.08 0.02 0.00 0.00 177.57 176.57 1g3i h GLU 150 N -0.89 -0.23 -0.62 1.57 4.22 -0.25 0.04 114.58 118.43 1g3i h GLU 150 Ca -0.04 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 1g3i h GLU 150 Cb 0.80 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 1g3i h GLU 150 CO -0.11 -0.15 0.38 0.87 -2.18 0.00 0.00 179.01 177.82 1g3i h LYS 151 N -0.23 0.84 -0.45 1.92 1.79 -0.52 -2.86 116.57 117.06 1g3i h LYS 151 Ca 0.12 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1g3i h LYS 151 Cb 0.53 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1g3i h LYS 151 CO -0.74 0.59 0.12 0.77 -1.08 0.00 0.00 179.45 179.11 1g3i h SER 152 N 0.84 0.67 -0.40 0.86 0.02 -0.04 -1.85 113.55 113.65 1g3i h SER 152 Ca 0.22 -0.22 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1g3i h SER 152 Cb -0.04 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.26 1g3i h SER 152 CO -0.04 0.72 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.25 1g3i h LEU 153 N 0.59 -0.27 0.16 5.07 3.38 -0.85 -0.81 115.31 122.60 1g3i h LEU 153 Ca 0.14 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1g3i h LEU 153 Cb 0.31 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1g3i h LEU 153 CO -0.00 -0.09 -0.13 -0.09 0.09 0.00 0.00 178.44 178.22 1g3i h ARG 154 N 0.05 -0.27 -0.74 1.13 2.43 -1.28 0.29 114.38 115.99 1g3i h ARG 154 Ca 0.19 0.02 0.25 0.00 -0.81 0.00 0.00 59.98 59.63 1g3i h ARG 154 Cb 0.29 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 29.76 1g3i h ARG 154 CO -0.37 -0.18 0.17 -0.89 -1.51 0.00 0.00 179.97 177.19 1g3i n ILE 155 N -3.02 -0.31 -0.03 1.20 5.41 -0.72 0.10 119.36 122.00 1g3i n ILE 155 Ca -0.03 1.58 -0.13 0.00 1.00 0.00 0.00 62.75 65.16 1g3i n ILE 155 Cb 0.12 -2.40 -0.09 0.00 -0.71 0.00 0.00 39.64 36.55 1g3i n ILE 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i h ALA 156 N 1.48 0.07 -0.10 -1.39 0.00 -0.69 -3.04 119.26 115.59 1g3i h ALA 156 Ca 0.52 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1g3i h ALA 156 Cb 1.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1g3i h ALA 156 CO -0.64 -0.08 0.11 0.78 0.00 0.00 0.00 179.25 179.41 1g3i h GLY 157 N -0.37 0.00 1.90 0.00 0.00 0.45 0.20 103.07 105.25 1g3i h GLY 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1g3i h GLY 157 CO 0.02 0.00 -0.08 -0.55 0.00 0.00 0.00 176.54 175.93 1g3i h ASP 158 N 0.00 0.00 0.00 0.19 3.45 -0.94 -3.31 116.42 115.81 1g3i h ASP 158 Ca 0.05 -0.02 -0.19 0.00 0.43 0.00 0.00 57.03 57.30 1g3i h ASP 158 Cb 0.26 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.00 1g3i h ASP 158 CO -0.00 0.01 -1.85 -0.38 -1.57 0.00 0.00 179.24 175.45 1g3i n ILE 159 N -2.44 0.70 -3.48 0.35 5.41 0.05 -4.96 119.36 114.98 1g3i n ILE 159 Ca 0.05 -0.51 -0.37 0.00 1.00 0.00 0.00 62.75 62.92 1g3i n ILE 159 Cb 0.46 -0.45 -0.07 0.00 -0.71 0.00 0.00 39.64 38.86 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 3.74 0.69 -0.95 0.00 0.24 -1.26 -2.91 118.33 117.87 1g3i n VAL 161 Ca -0.11 -0.11 0.07 0.00 -2.04 0.00 0.00 64.34 62.15 1g3i n VAL 161 Cb 0.52 -0.80 0.36 0.00 -1.47 0.00 0.00 33.84 32.45 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 -2.29 1.80 -3.83 6.34 3.72 -1.26 -4.90 117.46 117.04 1g3i n PHE 162 Ca 0.04 -0.81 -0.13 0.00 -0.05 0.00 0.00 57.45 56.51 1g3i n PHE 162 Cb 0.36 -0.47 -0.15 0.00 -0.94 0.00 0.00 39.48 38.28 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 -2.81 -0.02 0.09 4.37 2.01 -1.15 -2.19 115.64 115.94 1g3i s THR 163 Ca 0.51 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.60 1g3i s THR 163 Cb 0.40 -0.05 0.01 0.00 0.01 0.00 0.00 72.50 72.87 1g3i s THR 163 CO 0.14 0.03 0.08 -0.46 -0.69 0.00 0.00 174.62 173.72 1g3i n ASN 164 N 3.47 1.05 -0.35 3.53 2.04 -1.26 -4.65 115.26 119.08 1g3i n ASN 164 Ca -0.18 -1.29 0.08 0.00 -0.44 0.00 0.00 54.58 52.76 1g3i n ASN 164 Cb 0.56 -0.02 -0.01 0.00 -2.53 0.00 0.00 39.78 37.78 1g3i n ASN 164 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1g3i n THR 165 N -0.82 0.00 -2.42 5.53 -2.24 -1.26 -4.60 114.28 108.46 1g3i n THR 165 Ca 0.00 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 1g3i n THR 165 Cb 0.10 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 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 -2.07 6.09 0.42 3.42 3.84 -1.26 -4.96 114.94 120.42 1g3i s ASN 166 Ca 0.14 0.07 0.05 0.00 0.21 0.00 0.00 52.86 53.32 1g3i s ASN 166 Cb 0.14 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.30 1g3i s ASN 166 CO 0.46 -1.78 0.60 -0.36 -2.79 0.00 0.00 177.10 173.23 1g3i s PHE 167 N 6.13 2.98 -0.13 0.43 2.99 -1.26 -2.50 117.98 126.62 1g3i s PHE 167 Ca 0.48 -0.17 -0.04 0.00 0.00 0.00 0.00 56.93 57.20 1g3i s PHE 167 Cb -0.10 -2.32 0.06 0.00 0.00 0.00 0.00 43.02 40.66 1g3i s PHE 167 CO 0.22 -0.37 0.15 0.99 -0.00 0.00 0.00 175.22 176.20 1g3i s THR 168 N -2.41 -0.22 -0.05 0.64 2.01 -0.70 -4.97 115.64 109.95 1g3i s THR 168 Ca 0.51 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.66 1g3i s THR 168 Cb -0.10 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 71.96 1g3i s THR 168 CO 0.34 -0.05 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.44 1g3i s ILE 169 N 2.25 1.34 -0.07 1.82 1.01 -1.26 -2.46 121.20 123.83 1g3i s ILE 169 Ca 0.04 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1g3i s ILE 169 Cb -0.14 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.17 1g3i s ILE 169 CO -0.08 0.39 -0.14 -1.61 0.00 0.00 0.00 174.94 173.50 1g3i s GLU 170 N 0.21 1.89 0.31 2.79 0.41 -0.85 -5.03 118.70 118.44 1g3i s GLU 170 Ca -0.07 -0.50 0.09 0.00 -0.41 0.00 0.00 54.97 54.09 1g3i s GLU 170 Cb -0.13 -1.54 -0.05 0.00 -1.78 0.00 0.00 34.13 30.63 1g3i s GLU 170 CO 0.03 0.07 -0.01 -1.83 -0.49 0.00 0.00 175.26 173.03 1g3i s GLU 171 N 0.56 2.10 -0.42 1.61 -1.05 -1.26 -0.70 118.70 119.54 1g3i s GLU 171 Ca -0.14 -1.66 -0.01 0.00 -0.15 0.00 0.00 54.97 53.01 1g3i s GLU 171 Cb -0.16 -1.98 0.11 0.00 -0.44 0.00 0.00 34.13 31.67 1g3i s GLU 171 CO 0.04 0.22 0.20 -0.51 0.95 0.00 0.00 175.26 176.16 1g3i s LEU 172 N -3.69 5.13 0.00 1.83 1.43 0.25 -4.96 118.68 118.67 1g3i s LEU 172 Ca 0.33 -2.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.27 1g3i s LEU 172 Cb -0.02 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1g3i s LEU 172 CO 0.19 -0.49 0.39 -0.81 0.23 0.00 0.00 176.35 175.87