#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 -0.36 -0.05 12.58 2.01 -1.26 -0.42 115.64 128.14 1g3i s THR 2 Ca 0.00 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.22 1g3i s THR 2 Cb 0.00 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 72.04 1g3i s THR 2 CO 0.00 0.09 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.35 1g3i s ILE 3 N 2.16 0.53 0.04 1.82 1.01 0.30 -2.40 121.20 124.66 1g3i s ILE 3 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1g3i s ILE 3 Cb -0.11 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1g3i s ILE 3 CO -0.10 0.23 -0.06 0.54 0.00 0.00 0.00 174.94 175.55 1g3i s VAL 4 N 0.97 0.38 -0.04 2.92 0.11 0.78 -0.24 120.40 125.29 1g3i s VAL 4 Ca -0.10 -1.20 -0.01 0.00 -2.93 0.00 0.00 61.98 57.74 1g3i s VAL 4 Cb -0.14 -0.71 0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1g3i s VAL 4 CO -0.00 -0.54 0.07 -0.55 -3.33 0.00 0.00 175.10 170.74 1g3i s SER 5 N -1.85 0.21 0.11 3.54 0.15 0.27 -0.62 113.70 115.52 1g3i s SER 5 Ca -0.08 0.12 0.10 0.00 0.70 0.00 0.00 55.95 56.79 1g3i s SER 5 Cb -0.06 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 1g3i s SER 5 CO -0.02 -0.16 -0.24 -0.69 1.20 0.00 0.00 173.24 173.33 1g3i s VAL 6 N 1.31 2.03 -0.09 4.45 1.01 -0.92 -1.06 120.40 127.13 1g3i s VAL 6 Ca -0.07 -1.65 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 1g3i s VAL 6 Cb -0.13 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.49 1g3i s VAL 6 CO -0.04 0.04 0.19 -0.60 0.00 0.00 0.00 175.10 174.69 1g3i s ARG 7 N -1.95 0.10 -0.28 2.72 3.52 -1.20 -1.54 118.95 120.32 1g3i s ARG 7 Ca 0.11 0.51 -0.16 0.00 -0.13 0.00 0.00 55.73 56.06 1g3i s ARG 7 Cb -0.10 -0.18 0.10 0.00 -1.56 0.00 0.00 34.95 33.22 1g3i s ARG 7 CO 0.05 -0.22 0.79 -0.98 -0.81 0.00 0.00 175.30 174.13 1g3i s ARG 8 N 1.70 0.59 -0.20 5.12 1.70 -0.88 -4.84 118.95 122.13 1g3i s ARG 8 Ca -0.04 1.02 -0.00 0.00 -0.47 0.00 0.00 55.73 56.23 1g3i s ARG 8 Cb -0.12 0.12 -0.01 0.00 -0.57 0.00 0.00 34.95 34.38 1g3i s ARG 8 CO -0.07 -0.12 0.17 0.09 -1.08 0.00 0.00 175.30 174.29 1g3i n ASN 9 N 4.11 -2.35 -1.54 -2.89 4.13 -1.26 -3.66 115.26 111.80 1g3i n ASN 9 Ca -0.19 -0.11 -0.14 0.00 1.68 0.00 0.00 54.58 55.81 1g3i n ASN 9 Cb 0.58 -1.31 -0.05 0.00 -1.54 0.00 0.00 39.78 37.46 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 -1.20 1.07 3.32 7.41 0.00 -1.26 -4.93 105.19 109.60 1g3i n GLY 10 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.41 2.23 -0.03 1.61 -1.52 -1.24 -4.88 119.66 112.42 1g3i s GLN 11 Ca 0.00 -0.90 0.02 0.00 -1.95 0.00 0.00 55.36 52.53 1g3i s GLN 11 Cb 0.00 -2.10 0.00 0.00 -0.22 0.00 0.00 33.01 30.69 1g3i s GLN 11 CO 0.00 0.53 -0.08 0.08 -0.25 0.00 0.00 175.29 175.57 1g3i s VAL 12 N -0.54 0.71 -0.02 1.09 1.01 -1.25 -2.07 120.40 119.33 1g3i s VAL 12 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1g3i s VAL 12 Cb -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1g3i s VAL 12 CO -0.00 0.23 0.06 -0.69 0.00 0.00 0.00 175.10 174.70 1g3i s VAL 13 N 0.25 0.02 -0.09 2.92 1.01 -0.59 0.27 120.40 124.19 1g3i s VAL 13 Ca -0.04 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1g3i s VAL 13 Cb -0.09 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.16 1g3i s VAL 13 CO 0.00 -0.08 -0.16 -0.69 0.00 0.00 0.00 175.10 174.18 1g3i s VAL 14 N -0.21 1.45 0.03 2.92 1.01 -0.10 -2.15 120.40 123.35 1g3i s VAL 14 Ca -0.03 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1g3i s VAL 14 Cb -0.02 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1g3i s VAL 14 CO 0.00 0.43 -0.05 -0.83 0.00 0.00 0.00 175.10 174.65 1g3i s GLY 15 N 0.74 0.36 0.24 4.51 0.00 0.21 -1.96 107.32 111.42 1g3i s GLY 15 Ca -0.12 -0.67 -0.09 0.00 0.00 0.00 0.00 44.72 43.84 1g3i s GLY 15 CO 0.03 -0.73 0.38 -0.32 0.00 0.00 0.00 173.10 172.46 1g3i s GLY 16 N -1.50 0.83 0.00 0.20 0.00 -1.10 -0.15 107.32 105.60 1g3i s GLY 16 Ca -0.13 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1g3i s GLY 16 CO -0.00 -0.86 0.00 2.09 0.00 0.00 0.00 173.10 174.33 1g3i n ASP 17 N -0.39 0.00 -0.99 1.64 5.75 -1.01 -1.93 116.55 119.62 1g3i n ASP 17 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1g3i n ASP 17 Cb 0.63 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.70 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 5.00 0.75 3.62 6.12 0.00 -0.81 -3.99 105.19 115.88 1g3i n GLY 18 Ca 0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 4.06 -0.61 1.61 0.74 -1.26 -0.89 119.66 123.32 1g3i s GLN 19 Ca 0.11 0.12 -0.13 0.00 0.05 0.00 0.00 55.36 55.51 1g3i s GLN 19 Cb 0.13 -3.62 0.15 0.00 1.10 0.00 0.00 33.01 30.77 1g3i s GLN 19 CO -0.05 -0.23 0.53 0.08 -0.55 0.00 0.00 175.29 175.07 1g3i s VAL 20 N 1.91 4.97 0.28 1.34 1.01 0.47 -4.73 120.40 125.64 1g3i s VAL 20 Ca 0.17 -1.94 -0.22 0.00 0.00 0.00 0.00 61.98 59.99 1g3i s VAL 20 Cb -0.15 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 1g3i s VAL 20 CO 0.09 -0.89 0.82 -0.44 0.00 0.00 0.00 175.10 174.68 1g3i s SER 21 N 2.78 7.13 -0.34 3.32 0.01 -1.26 -1.93 113.70 123.41 1g3i s SER 21 Ca 0.09 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.93 1g3i s SER 21 Cb -0.23 -2.48 0.11 0.00 0.21 0.00 0.00 66.02 63.62 1g3i s SER 21 CO -0.02 -0.05 0.12 -0.22 0.41 0.00 0.00 173.24 173.49 1g3i s LEU 22 N -2.15 2.52 0.00 2.44 2.96 0.27 -4.85 118.68 119.87 1g3i s LEU 22 Ca 0.48 -1.89 0.00 0.00 -0.22 0.00 0.00 54.13 52.49 1g3i s LEU 22 Cb -0.16 -0.95 0.00 0.00 0.50 0.00 0.00 46.19 45.57 1g3i s LEU 22 CO 0.21 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 1g3i n GLY 23 N 4.52 2.22 0.01 7.98 0.00 -1.26 -1.88 105.19 116.78 1g3i n GLY 23 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 9.87 1.88 -4.87 1.61 5.03 -1.26 -5.02 115.26 122.51 1g3i n ASN 24 Ca 0.00 -2.02 -0.22 0.00 0.87 0.00 0.00 54.58 53.21 1g3i n ASN 24 Cb 0.00 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 38.69 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 -1.08 2.54 -0.26 3.41 -4.23 -0.79 -5.11 115.64 110.11 1g3i s THR 25 Ca 0.03 -1.38 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 1g3i s THR 25 Cb 0.02 -2.92 0.07 0.00 1.34 0.00 0.00 72.50 71.01 1g3i s THR 25 CO 0.00 0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.33 1g3i s VAL 26 N -2.51 1.87 0.25 2.29 1.01 -1.26 -0.56 120.40 121.48 1g3i s VAL 26 Ca 0.47 -1.54 0.25 0.00 0.00 0.00 0.00 61.98 61.16 1g3i s VAL 26 Cb -0.02 -2.10 0.25 0.00 0.00 0.00 0.00 36.38 34.51 1g3i s VAL 26 CO 0.27 -0.15 1.92 -0.03 0.00 0.00 0.00 175.10 177.11 1g3i h MET 27 N 7.84 0.00 -1.90 2.72 -1.53 -1.71 -3.46 114.93 116.88 1g3i h MET 27 Ca -0.17 0.00 0.05 0.00 -3.44 0.00 0.00 59.70 56.14 1g3i h MET 27 Cb 1.05 0.00 -0.20 0.00 -0.55 0.00 0.00 31.60 31.90 1g3i h MET 27 CO 0.45 0.19 0.44 0.21 0.14 0.00 0.00 176.91 178.33 1g3i s LYS 28 N -3.85 0.79 0.00 0.39 2.20 -1.19 -5.01 119.74 113.06 1g3i s LYS 28 Ca -0.01 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1g3i s LYS 28 Cb 0.11 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.80 1g3i s LYS 28 CO 0.62 -0.28 0.03 0.41 -0.36 0.00 0.00 175.35 175.77 1g3i n GLY 29 N 0.49 0.83 1.63 5.54 0.00 -1.25 -0.40 105.19 112.03 1g3i n GLY 29 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.80 4.03 -4.78 1.61 0.23 -1.06 -4.02 115.26 110.47 1g3i n ASN 30 Ca 0.00 -3.78 -0.32 0.00 -0.53 0.00 0.00 54.58 49.95 1g3i n ASN 30 Cb 0.00 -0.63 0.06 0.00 -2.08 0.00 0.00 39.78 37.13 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 -3.45 2.46 -0.38 -2.53 0.00 -0.07 -4.99 121.76 112.80 1g3i s ALA 31 Ca 0.50 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 1g3i s ALA 31 Cb 0.43 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 20.33 1g3i s ALA 31 CO 0.01 -1.35 0.19 1.03 0.00 0.00 0.00 175.76 175.63 1g3i s ARG 32 N -4.42 2.55 0.00 0.00 0.52 -1.26 -4.16 118.95 112.18 1g3i s ARG 32 Ca 0.64 -1.38 0.26 0.00 -0.52 0.00 0.00 55.73 54.73 1g3i s ARG 32 Cb -0.18 -3.62 0.68 0.00 0.52 0.00 0.00 34.95 32.34 1g3i s ARG 32 CO 0.46 -0.84 1.52 1.63 0.02 0.00 0.00 175.30 178.09 1g3i n LYS 33 N 4.84 0.87 -4.56 3.54 5.02 -1.26 -4.81 118.16 121.81 1g3i n LYS 33 Ca -0.10 -0.54 -0.25 0.00 -2.02 0.00 0.00 58.31 55.40 1g3i n LYS 33 Cb 0.43 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.50 1.16 0.25 -0.18 1.01 -1.26 -1.68 120.40 117.20 1g3i s VAL 34 Ca 0.24 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1g3i s VAL 34 Cb 0.19 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1g3i s VAL 34 CO 0.53 0.36 0.08 -0.13 0.00 0.00 0.00 175.10 175.94 1g3i s ARG 35 N 0.73 1.38 -0.05 2.72 0.52 0.47 -4.91 118.95 119.81 1g3i s ARG 35 Ca -0.13 -1.74 -0.10 0.00 -0.52 0.00 0.00 55.73 53.23 1g3i s ARG 35 Cb -0.16 -0.30 -0.05 0.00 0.52 0.00 0.00 34.95 34.97 1g3i s ARG 35 CO 0.03 -0.26 0.27 1.03 0.02 0.00 0.00 175.30 176.39 1g3i s ARG 36 N -4.01 3.67 0.46 3.54 0.52 -1.26 -1.12 118.95 120.75 1g3i s ARG 36 Ca 0.36 0.12 0.02 0.00 -0.52 0.00 0.00 55.73 55.71 1g3i s ARG 36 Cb 0.08 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 1g3i s ARG 36 CO 0.12 0.72 0.06 -0.51 0.02 0.00 0.00 175.30 175.72 1g3i s LEU 37 N -1.14 2.16 -0.75 2.53 1.43 -0.01 -4.77 118.68 118.13 1g3i s LEU 37 Ca 0.20 -1.66 -0.08 0.00 -1.03 0.00 0.00 54.13 51.56 1g3i s LEU 37 Cb -0.14 -0.44 0.01 0.00 0.03 0.00 0.00 46.19 45.65 1g3i s LEU 37 CO 0.10 -0.88 0.50 0.00 0.23 0.00 0.00 176.35 176.29 1g3i n TYR 38 N -1.10 -1.46 -3.47 0.29 -0.00 -1.26 -2.19 117.16 107.97 1g3i n TYR 38 Ca -0.13 0.48 -0.20 0.00 -0.00 0.00 0.00 57.90 58.06 1g3i n TYR 38 Cb 0.66 -2.20 0.03 0.00 -0.00 0.00 0.00 39.34 37.83 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 -1.87 -6.11 -4.53 2.98 3.02 -1.26 -2.88 115.26 104.60 1g3i n ASN 39 Ca -0.21 -0.71 -0.43 0.00 -0.03 0.00 0.00 54.58 53.20 1g3i n ASN 39 Cb 0.53 -3.88 -0.08 0.00 -0.61 0.00 0.00 39.78 35.74 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 -1.63 -0.39 0.00 7.41 0.00 -1.01 -4.78 105.19 104.79 1g3i n GLY 40 Ca -0.10 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.05 0.98 -4.37 1.61 0.00 -0.93 -4.96 118.16 106.44 1g3i n LYS 41 Ca 0.11 -0.31 -0.19 0.00 -0.00 0.00 0.00 58.31 57.92 1g3i n LYS 41 Cb 0.45 -0.80 -0.14 0.00 -0.00 0.00 0.00 35.03 34.54 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 -0.23 0.75 -0.14 0.58 -7.23 -1.12 -4.32 120.40 108.69 1g3i s VAL 42 Ca 0.00 -0.47 -0.06 0.00 -1.81 0.00 0.00 61.98 59.64 1g3i s VAL 42 Cb 0.00 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 1g3i s VAL 42 CO 0.00 0.17 0.09 -0.76 -0.31 0.00 0.00 175.10 174.29 1g3i s LEU 43 N -0.34 4.05 -0.03 1.32 1.43 0.16 -0.83 118.68 124.43 1g3i s LEU 43 Ca 0.03 0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1g3i s LEU 43 Cb -0.04 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.22 1g3i s LEU 43 CO -0.00 0.32 0.02 0.00 0.23 0.00 0.00 176.35 176.91 1g3i s ALA 44 N -0.49 0.29 -0.04 4.21 0.00 -0.28 -0.74 121.76 124.71 1g3i s ALA 44 Ca 0.11 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.29 1g3i s ALA 44 Cb -0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1g3i s ALA 44 CO 0.02 -0.20 -0.22 0.20 0.00 0.00 0.00 175.76 175.56 1g3i s GLY 45 N 1.36 1.14 0.03 0.00 0.00 0.64 -0.40 107.32 110.08 1g3i s GLY 45 Ca -0.05 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 43.81 1g3i s GLY 45 CO -0.03 -0.58 -0.17 -0.11 0.00 0.00 0.00 173.10 172.21 1g3i s PHE 46 N -0.17 1.48 -0.07 1.90 -0.71 -0.67 0.23 117.98 119.97 1g3i s PHE 46 Ca -0.01 -0.35 -0.04 0.00 -1.04 0.00 0.00 56.93 55.49 1g3i s PHE 46 Cb -0.12 -0.89 0.04 0.00 -1.21 0.00 0.00 43.02 40.83 1g3i s PHE 46 CO 0.02 0.05 0.17 0.00 -1.34 0.00 0.00 175.22 174.12 1g3i s ALA 47 N -0.75 -0.35 0.00 1.99 0.00 -0.72 -4.87 121.76 117.07 1g3i s ALA 47 Ca 0.05 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1g3i s ALA 47 Cb -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1g3i s ALA 47 CO 0.01 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1g3i n GLY 48 N 4.00 0.16 3.68 0.00 0.00 -1.26 -0.95 105.19 110.82 1g3i n GLY 48 Ca -0.24 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 1.81 0.21 -0.02 0.00 -0.29 -4.82 107.32 104.21 1g3i s GLY 49 Ca 0.00 0.79 0.05 0.00 0.00 0.00 0.00 44.72 45.55 1g3i s GLY 49 CO 0.00 2.54 0.99 -1.30 0.00 0.00 0.00 173.10 175.33 1g3i n THR 50 N 4.87 -0.27 0.00 0.90 -2.24 -1.26 0.15 114.28 116.44 1g3i n THR 50 Ca 0.13 1.36 0.00 0.00 -2.27 0.00 0.00 64.05 63.27 1g3i n THR 50 Cb 0.44 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.62 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 -3.11 -0.04 -0.50 6.98 0.00 -1.26 -3.31 120.51 119.27 1g3i n ALA 51 Ca 0.17 0.00 0.40 0.00 0.00 0.00 0.00 53.44 54.02 1g3i n ALA 51 Cb 0.58 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.69 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 -1.04 0.14 0.07 0.00 9.92 -0.82 0.10 116.55 124.92 1g3i n ASP 52 Ca 0.00 1.19 -0.04 0.00 -0.53 0.00 0.00 54.79 55.41 1g3i n ASP 52 Cb 0.00 -0.59 -0.02 0.00 -0.64 0.00 0.00 41.12 39.87 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 1.33 -0.86 -0.01 2.24 0.00 0.13 0.14 119.26 122.24 1g3i h ALA 53 Ca 0.83 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.73 1g3i h ALA 53 Cb 2.86 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 20.94 1g3i h ALA 53 CO -0.32 -0.86 -0.42 0.74 0.00 0.00 0.00 179.25 178.38 1g3i h PHE 54 N -0.23 -1.20 -1.10 0.00 -1.00 0.65 0.51 116.94 114.57 1g3i h PHE 54 Ca -0.02 0.04 0.31 0.00 2.81 0.00 0.00 57.97 61.11 1g3i h PHE 54 Cb 0.20 0.53 -0.06 0.00 3.61 0.00 0.00 35.95 40.23 1g3i h PHE 54 CO -0.09 -0.50 0.77 0.00 -1.61 0.00 0.00 178.31 176.88 1g3i h THR 55 N -0.58 0.46 0.28 -1.55 1.03 -0.82 0.59 112.91 112.32 1g3i h THR 55 Ca 0.05 -0.04 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 1g3i h THR 55 Cb 0.65 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.07 1g3i h THR 55 CO -0.32 0.02 -0.13 0.25 -0.01 0.00 0.00 175.52 175.33 1g3i h LEU 56 N 0.12 -0.32 -1.04 0.00 6.46 0.13 -2.91 115.31 117.76 1g3i h LEU 56 Ca 0.55 -0.06 0.27 0.00 -0.12 0.00 0.00 57.88 58.52 1g3i h LEU 56 Cb 1.95 0.08 -0.13 0.00 -0.73 0.00 0.00 40.66 41.84 1g3i h LEU 56 CO -0.10 0.16 0.60 0.15 -0.62 0.00 0.00 178.44 178.63 1g3i h PHE 57 N -1.07 0.96 0.00 1.25 3.04 0.43 0.16 116.94 121.71 1g3i h PHE 57 Ca -0.04 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1g3i h PHE 57 Cb 0.36 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1g3i h PHE 57 CO 0.02 -0.02 -0.28 0.93 -2.02 0.00 0.00 178.31 176.95 1g3i h GLU 58 N 0.48 0.00 0.12 1.11 5.08 0.07 -3.00 114.58 118.45 1g3i h GLU 58 Ca 0.67 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.74 1g3i h GLU 58 Cb 1.41 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.68 1g3i h GLU 58 CO -0.50 0.28 -1.23 -0.07 -1.00 0.00 0.00 179.01 176.48 1g3i h LEU 59 N 0.00 0.73 -1.97 1.33 4.07 -0.51 -2.99 115.31 115.97 1g3i h LEU 59 Ca -0.00 -0.70 -0.01 0.00 0.08 0.00 0.00 57.88 57.25 1g3i h LEU 59 Cb 0.86 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.37 1g3i h LEU 59 CO 0.04 1.52 -0.06 0.15 -1.08 0.00 0.00 178.44 179.00 1g3i h PHE 60 N 0.21 0.00 0.13 1.13 3.57 -1.31 -2.49 116.94 118.17 1g3i h PHE 60 Ca -0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1g3i h PHE 60 Cb 1.91 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.65 1g3i h PHE 60 CO 0.10 0.06 -0.06 1.49 -2.23 0.00 0.00 178.31 177.67 1g3i h GLU 61 N 0.00 -0.17 -0.89 1.11 4.81 -1.48 -1.93 114.58 116.04 1g3i h GLU 61 Ca -0.00 0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.53 1g3i h GLU 61 Cb 0.34 0.04 -0.16 0.00 0.63 0.00 0.00 28.75 29.60 1g3i h GLU 61 CO 0.01 0.04 0.19 0.54 -0.73 0.00 0.00 179.01 179.06 1g3i n ARG 62 N -4.88 -0.06 -0.09 1.92 1.74 -1.09 0.17 116.66 114.37 1g3i n ARG 62 Ca -0.04 1.29 -0.11 0.00 -0.77 0.00 0.00 57.85 58.22 1g3i n ARG 62 Cb 0.14 -2.15 -0.04 0.00 -1.02 0.00 0.00 32.46 29.39 1g3i n ARG 62 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1g3i h LYS 63 N 0.00 0.44 -0.22 5.56 1.63 -1.47 0.37 116.57 122.88 1g3i h LYS 63 Ca 0.62 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 60.30 1g3i h LYS 63 Cb 1.45 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.02 1g3i h LYS 63 CO -0.78 0.59 0.13 -0.07 -3.45 0.00 0.00 179.45 175.87 1g3i h LEU 64 N 0.23 0.22 -1.17 5.20 3.38 0.25 -1.34 115.31 122.09 1g3i h LEU 64 Ca 0.08 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.18 1g3i h LEU 64 Cb 0.38 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1g3i h LEU 64 CO 0.01 0.16 0.60 -0.33 0.09 0.00 0.00 178.44 178.97 1g3i h GLU 65 N 0.27 0.80 0.00 1.13 4.39 0.31 -0.98 114.58 120.50 1g3i h GLU 65 Ca 0.09 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1g3i h GLU 65 Cb -0.01 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1g3i h GLU 65 CO -0.04 0.53 0.00 0.52 -1.16 0.00 0.00 179.01 178.87 1g3i h MET 66 N 0.83 0.00 -1.73 2.33 2.86 0.08 -3.38 114.93 115.92 1g3i h MET 66 Ca 0.47 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.58 1g3i h MET 66 Cb 0.60 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.85 1g3i h MET 66 CO -0.23 0.00 -0.87 0.72 1.06 0.00 0.00 176.91 177.59 1g3i n HIS 67 N -2.63 2.66 -2.64 -0.22 8.25 -0.45 -4.95 115.22 115.24 1g3i n HIS 67 Ca 0.04 -3.44 -0.06 0.00 -0.26 0.00 0.00 57.72 54.00 1g3i n HIS 67 Cb 0.40 -0.32 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 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 -2.71 -3.03 -0.41 6.02 -1.23 -0.85 117.38 114.95 1g3i n GLN 68 Ca 0.29 0.18 -0.22 0.00 -0.01 0.00 0.00 57.00 57.23 1g3i n GLN 68 Cb 0.61 -4.72 0.03 0.00 1.02 0.00 0.00 30.24 27.18 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 -0.64 -0.52 3.55 1.08 0.00 -0.74 -4.90 105.19 103.02 1g3i n GLY 69 Ca -0.03 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.15 2.52 0.00 1.61 3.76 -0.03 -4.87 115.29 115.13 1g3i s HIS 70 Ca 0.30 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 1g3i s HIS 70 Cb -0.14 -4.64 0.00 0.00 1.11 0.00 0.00 32.58 28.91 1g3i s HIS 70 CO 0.38 -1.93 0.71 -0.11 -0.85 0.00 0.00 174.74 172.94 1g3i n LEU 71 N 8.78 0.00 -0.18 0.89 -0.00 -1.26 -0.82 117.00 124.41 1g3i n LEU 71 Ca 0.24 0.71 -0.08 0.00 -0.00 0.00 0.00 56.01 56.88 1g3i n LEU 71 Cb 0.50 -0.33 -0.07 0.00 -0.00 0.00 0.00 43.42 43.53 1g3i n LEU 71 CO 0.66 -0.33 0.49 0.25 -0.00 0.00 0.00 177.39 178.46 1g3i h LEU 72 N 0.00 -1.32 0.18 -1.96 7.12 -1.99 -1.84 115.31 115.50 1g3i h LEU 72 Ca 0.00 0.19 0.01 0.00 0.13 0.00 0.00 57.88 58.20 1g3i h LEU 72 Cb 0.00 0.56 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 1g3i h LEU 72 CO 0.00 -0.21 -0.49 0.50 -0.13 0.00 0.00 178.44 178.11 1g3i h LYS 73 N -0.14 -0.72 -0.77 1.25 3.64 -1.79 -1.94 116.57 116.10 1g3i h LYS 73 Ca 0.07 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.59 1g3i h LYS 73 Cb 0.33 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.21 1g3i h LYS 73 CO -0.50 -0.48 -0.41 0.43 -2.27 0.00 0.00 179.45 176.22 1g3i n SER 74 N -5.25 -0.72 -0.12 4.20 7.64 0.00 0.22 113.62 119.60 1g3i n SER 74 Ca -0.09 1.37 -0.07 0.00 1.01 0.00 0.00 58.87 61.09 1g3i n SER 74 Cb 0.39 -0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1g3i n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g3i h ALA 75 N 0.61 -0.16 -0.29 -0.43 0.00 -0.71 0.30 119.26 118.57 1g3i h ALA 75 Ca 0.17 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1g3i h ALA 75 Cb 0.36 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1g3i h ALA 75 CO -0.74 -0.72 0.17 0.28 0.00 0.00 0.00 179.25 178.24 1g3i h VAL 76 N -0.25 1.11 -0.41 0.00 2.07 0.39 -0.30 116.25 118.85 1g3i h VAL 76 Ca 0.17 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.50 1g3i h VAL 76 Cb 0.53 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1g3i h VAL 76 CO -0.53 0.11 -0.01 -0.33 0.02 0.00 0.00 177.57 176.83 1g3i h GLU 77 N 0.36 0.10 0.29 1.57 4.39 0.11 0.93 114.58 122.32 1g3i h GLU 77 Ca 0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1g3i h GLU 77 Cb 0.03 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1g3i h GLU 77 CO -0.02 0.06 -0.24 1.25 -1.16 0.00 0.00 179.01 178.91 1g3i h LEU 78 N 0.10 -0.63 -0.23 1.33 5.85 -0.16 -2.76 115.31 118.81 1g3i h LEU 78 Ca 0.20 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.03 1g3i h LEU 78 Cb 0.29 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1g3i h LEU 78 CO -0.35 -0.36 -0.14 0.00 -0.34 0.00 0.00 178.44 177.25 1g3i h ALA 79 N 0.10 0.03 0.00 1.25 0.00 -0.06 0.97 119.26 121.55 1g3i h ALA 79 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1g3i h ALA 79 Cb 0.48 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1g3i h ALA 79 CO -0.02 -0.56 0.06 0.36 0.00 0.00 0.00 179.25 179.08 1g3i n LYS 80 N -5.30 0.00 -0.09 0.00 2.85 0.31 0.75 118.16 116.68 1g3i n LYS 80 Ca -0.01 0.40 0.04 0.00 -1.05 0.00 0.00 58.31 57.68 1g3i n LYS 80 Cb 0.22 -1.56 0.12 0.00 -0.65 0.00 0.00 35.03 33.16 1g3i n LYS 80 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1g3i n ASP 81 N -1.39 0.98 -0.02 -5.58 10.43 0.34 -3.41 116.55 117.90 1g3i n ASP 81 Ca 0.00 -1.96 -0.02 0.00 2.57 0.00 0.00 54.79 55.38 1g3i n ASP 81 Cb 0.06 -0.12 -0.03 0.00 1.84 0.00 0.00 41.12 42.87 1g3i n ASP 81 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1g3i n TRP 82 N 0.02 0.00 -2.43 1.24 8.01 0.23 -4.59 117.44 119.91 1g3i n TRP 82 Ca 0.07 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.83 1g3i n TRP 82 Cb 0.16 -0.18 0.00 0.00 -2.01 0.00 0.00 31.31 29.28 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 -2.23 3.20 -0.48 -0.99 3.00 -1.22 -4.78 116.66 113.15 1g3i n ARG 83 Ca -0.06 -3.26 0.00 0.00 -0.01 0.00 0.00 57.85 54.52 1g3i n ARG 83 Cb 0.61 -3.30 0.00 0.00 0.00 0.00 0.00 32.46 29.77 1g3i n ARG 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1g3i n THR 84 N 5.43 0.00 -0.01 0.55 -1.04 -1.26 -5.02 114.28 112.93 1g3i n THR 84 Ca 0.46 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.30 1g3i n THR 84 Cb 0.43 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.84 1g3i n THR 84 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1g3i h ASP 85 N 0.00 0.68 -4.33 8.00 3.45 -2.00 -3.44 116.42 118.77 1g3i h ASP 85 Ca 0.00 -0.69 -0.51 0.00 0.43 0.00 0.00 57.03 56.26 1g3i h ASP 85 Cb 0.00 -0.20 0.08 0.00 -0.56 0.00 0.00 39.33 38.65 1g3i h ASP 85 CO 0.00 1.27 0.39 -0.13 -1.57 0.00 0.00 179.24 179.20 1g3i s ARG 86 N -3.48 3.21 0.14 3.56 1.81 -1.26 -5.09 118.95 117.84 1g3i s ARG 86 Ca -0.12 0.90 0.00 0.00 -1.72 0.00 0.00 55.73 54.79 1g3i s ARG 86 Cb 0.05 -2.03 -0.00 0.00 -0.45 0.00 0.00 34.95 32.53 1g3i s ARG 86 CO 0.85 -0.89 0.00 0.00 -0.68 0.00 0.00 175.30 174.59 1g3i n ALA 87 N -2.90 0.13 -2.07 2.13 0.00 -1.26 -4.79 120.51 111.75 1g3i n ALA 87 Ca 0.07 -0.65 -0.00 0.00 0.00 0.00 0.00 53.44 52.86 1g3i n ALA 87 Cb 0.54 0.36 -0.01 0.00 0.00 0.00 0.00 19.45 20.34 1g3i n ALA 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1g3i n LEU 88 N 0.00 0.03 -0.53 0.00 0.00 -1.26 -4.98 117.00 110.25 1g3i n LEU 88 Ca -0.06 -1.26 0.00 0.00 0.00 0.00 0.00 56.01 54.70 1g3i n LEU 88 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.60 1g3i n LEU 88 CO 0.10 0.68 -0.17 0.54 0.00 0.00 0.00 177.39 178.54 1g3i n ARG 89 N 0.07 -1.39 -2.93 1.96 1.74 -1.26 -4.71 116.66 110.15 1g3i n ARG 89 Ca -0.02 1.08 -0.43 0.00 -0.77 0.00 0.00 57.85 57.70 1g3i n ARG 89 Cb 0.70 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.73 1g3i n ARG 89 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1g3i s LYS 90 N -4.41 3.15 -0.29 5.56 0.00 -1.26 -4.82 119.74 117.67 1g3i s LYS 90 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 55.97 54.89 1g3i s LYS 90 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 37.83 33.65 1g3i s LYS 90 CO 0.00 -1.64 1.22 -0.51 0.00 0.00 0.00 175.35 174.43 1g3i s LEU 91 N 3.67 3.93 -0.07 2.77 1.02 -1.23 -4.91 118.68 123.86 1g3i s LEU 91 Ca 0.21 1.21 -0.02 0.00 0.02 0.00 0.00 54.13 55.55 1g3i s LEU 91 Cb -0.17 -3.54 -0.07 0.00 0.02 0.00 0.00 46.19 42.43 1g3i s LEU 91 CO 0.12 -0.98 1.43 -0.62 0.02 0.00 0.00 176.35 176.32 1g3i n GLU 92 N 7.10 0.65 -3.69 1.70 -0.58 -1.26 -3.70 120.64 120.86 1g3i n GLU 92 Ca 0.14 -0.39 -0.08 0.00 -0.42 0.00 0.00 57.16 56.41 1g3i n GLU 92 Cb 0.47 -1.73 -0.02 0.00 -0.57 0.00 0.00 31.44 29.59 1g3i n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g3i s ALA 93 N 2.67 -1.45 0.08 0.62 0.00 -1.26 -1.14 121.76 121.28 1g3i s ALA 93 Ca 0.20 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.30 1g3i s ALA 93 Cb 0.09 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1g3i s ALA 93 CO -0.00 -0.94 -0.11 -1.64 0.00 0.00 0.00 175.76 173.07 1g3i s MET 94 N -3.69 0.80 0.12 0.00 -1.94 -0.13 -0.90 119.30 113.57 1g3i s MET 94 Ca 0.08 -1.06 0.09 0.00 -1.71 0.00 0.00 55.69 53.09 1g3i s MET 94 Cb -0.03 -0.59 -0.04 0.00 2.01 0.00 0.00 34.83 36.18 1g3i s MET 94 CO -0.01 0.10 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.38 1g3i s LEU 95 N -2.16 2.32 -0.24 -0.03 1.43 0.64 -1.75 118.68 118.89 1g3i s LEU 95 Ca 0.02 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1g3i s LEU 95 Cb -0.06 -0.96 0.06 0.00 0.03 0.00 0.00 46.19 45.27 1g3i s LEU 95 CO 0.01 0.08 -0.05 -0.63 0.23 0.00 0.00 176.35 175.98 1g3i s ILE 96 N -1.26 1.58 0.05 -0.59 1.01 0.14 -0.47 121.20 121.66 1g3i s ILE 96 Ca 0.10 -1.29 0.06 0.00 0.00 0.00 0.00 60.65 59.52 1g3i s ILE 96 Cb -0.09 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1g3i s ILE 96 CO 0.05 -0.13 -0.15 0.68 0.00 0.00 0.00 174.94 175.39 1g3i s VAL 97 N 1.36 3.04 -0.28 2.92 -7.23 -0.50 -0.26 120.40 119.45 1g3i s VAL 97 Ca -0.05 -1.14 -0.23 0.00 -1.81 0.00 0.00 61.98 58.76 1g3i s VAL 97 Cb -0.19 -2.32 0.12 0.00 0.56 0.00 0.00 36.38 34.55 1g3i s VAL 97 CO -0.07 0.30 0.96 0.00 -0.31 0.00 0.00 175.10 175.99 1g3i s ALA 98 N -0.99 -2.00 0.48 1.32 0.00 0.08 0.76 121.76 121.41 1g3i s ALA 98 Ca 0.16 1.99 0.02 0.00 0.00 0.00 0.00 51.96 54.13 1g3i s ALA 98 Cb -0.11 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1g3i s ALA 98 CO 0.07 -0.28 0.08 -0.40 0.00 0.00 0.00 175.76 175.24 1g3i n ASP 99 N 2.66 2.29 -0.33 0.00 3.85 -0.69 0.37 116.55 124.69 1g3i n ASP 99 Ca -0.14 -3.30 0.17 0.00 -0.71 0.00 0.00 54.79 50.81 1g3i n ASP 99 Cb 0.56 0.75 0.33 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 0.03 0.08 0.11 4.11 -1.93 -2.86 114.58 114.13 1g3i h GLU 100 Ca -0.38 -0.00 -0.34 0.00 0.07 0.00 0.00 59.36 58.71 1g3i h GLU 100 Cb 1.30 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1g3i h GLU 100 CO 0.62 0.02 -1.88 0.36 0.07 0.00 0.00 179.01 178.20 1g3i n LYS 101 N -5.43 0.72 -4.67 1.06 2.85 -1.26 -4.96 118.16 106.47 1g3i n LYS 101 Ca 0.25 0.28 -0.30 0.00 -1.05 0.00 0.00 58.31 57.49 1g3i n LYS 101 Cb 0.82 -1.74 -0.09 0.00 -0.65 0.00 0.00 35.03 33.37 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 -2.57 2.05 -0.20 -1.58 0.41 -1.08 -5.14 118.70 110.58 1g3i s GLU 102 Ca -0.16 -2.24 -0.06 0.00 -0.41 0.00 0.00 54.97 52.10 1g3i s GLU 102 Cb 0.07 -1.43 0.10 0.00 -1.78 0.00 0.00 34.13 31.09 1g3i s GLU 102 CO 0.79 -0.25 0.41 0.45 -0.49 0.00 0.00 175.26 176.17 1g3i s SER 103 N -3.76 -0.15 0.31 -0.19 0.15 -1.26 -1.70 113.70 107.10 1g3i s SER 103 Ca 0.20 0.83 0.03 0.00 0.70 0.00 0.00 55.95 57.71 1g3i s SER 103 Cb 0.05 1.28 -0.05 0.00 -1.71 0.00 0.00 66.02 65.60 1g3i s SER 103 CO 0.10 -0.25 0.11 -0.76 1.20 0.00 0.00 173.24 173.65 1g3i s LEU 104 N 2.59 1.83 -0.04 3.45 1.02 0.23 -4.35 118.68 123.41 1g3i s LEU 104 Ca 0.01 -1.47 -0.02 0.00 0.02 0.00 0.00 54.13 52.67 1g3i s LEU 104 Cb -0.13 -0.05 0.03 0.00 0.02 0.00 0.00 46.19 46.06 1g3i s LEU 104 CO -0.13 -0.77 0.06 -0.51 0.02 0.00 0.00 176.35 175.01 1g3i s ILE 105 N -3.52 -0.11 -0.05 -0.59 2.07 -0.84 -1.42 121.20 116.74 1g3i s ILE 105 Ca 0.35 0.42 0.05 0.00 -1.41 0.00 0.00 60.65 60.05 1g3i s ILE 105 Cb 0.06 -0.15 -0.02 0.00 0.13 0.00 0.00 42.46 42.48 1g3i s ILE 105 CO 0.15 0.18 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.55 1g3i s ILE 106 N 2.13 2.74 0.23 2.00 1.01 0.38 -1.73 121.20 127.97 1g3i s ILE 106 Ca 0.04 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.94 1g3i s ILE 106 Cb -0.12 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1g3i s ILE 106 CO -0.03 0.58 0.07 0.42 0.00 0.00 0.00 174.94 175.98 1g3i s THR 107 N -0.57 3.91 0.24 2.92 -4.23 -1.07 0.23 115.64 117.08 1g3i s THR 107 Ca 0.08 -1.58 0.29 0.00 -1.18 0.00 0.00 61.69 59.30 1g3i s THR 107 Cb -0.11 -3.07 0.31 0.00 1.34 0.00 0.00 72.50 70.97 1g3i s THR 107 CO 0.01 -0.29 1.98 1.23 -0.54 0.00 0.00 174.62 177.01 1g3i h GLY 108 N 1.97 0.00 2.00 3.99 0.00 -1.10 -2.04 103.07 107.89 1g3i h GLY 108 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1g3i h GLY 108 CO 0.60 0.00 0.00 0.29 0.00 0.00 0.00 176.54 177.43 1g3i n ILE 109 N -3.35 0.60 -0.29 2.60 -5.35 -1.26 -3.55 119.36 108.76 1g3i n ILE 109 Ca -0.00 0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 1g3i n ILE 109 Cb 0.31 -0.81 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 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 0.66 0.88 3.34 3.28 0.00 -0.77 -4.93 105.19 107.66 1g3i n GLY 110 Ca 0.05 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.13 -0.40 0.16 1.61 3.84 -1.25 -4.78 116.67 113.72 1g3i s ASP 111 Ca 0.00 0.53 0.04 0.00 -0.00 0.00 0.00 52.55 53.12 1g3i s ASP 111 Cb 0.00 0.60 -0.04 0.00 -1.38 0.00 0.00 42.92 42.10 1g3i s ASP 111 CO 0.00 -0.37 0.19 0.68 -0.00 0.00 0.00 175.17 175.66 1g3i s VAL 112 N -0.71 4.79 -0.10 2.11 -7.23 -1.26 -2.59 120.40 115.41 1g3i s VAL 112 Ca -0.08 -0.93 -0.06 0.00 -1.81 0.00 0.00 61.98 59.10 1g3i s VAL 112 Cb -0.03 -3.45 0.04 0.00 0.56 0.00 0.00 36.38 33.50 1g3i s VAL 112 CO 0.04 -0.09 0.24 -0.69 -0.31 0.00 0.00 175.10 174.29 1g3i s VAL 113 N -1.73 -0.02 0.13 1.32 1.01 -0.70 -4.99 120.40 115.41 1g3i s VAL 113 Ca 0.32 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 1g3i s VAL 113 Cb -0.10 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 1g3i s VAL 113 CO 0.25 0.04 0.42 -1.10 0.00 0.00 0.00 175.10 174.71 1g3i s GLN 114 N 0.81 3.73 1.16 2.72 -0.21 -1.26 -2.00 119.66 124.61 1g3i s GLN 114 Ca -0.06 0.12 -0.15 0.00 0.02 0.00 0.00 55.36 55.29 1g3i s GLN 114 Cb -0.07 -2.89 0.27 0.00 1.00 0.00 0.00 33.01 31.32 1g3i s GLN 114 CO -0.05 0.49 1.05 -2.14 -2.12 0.00 0.00 175.29 172.51 1g3i s PRO 115 N -2.30 -0.86 0.00 2.91 0.02 -1.26 -5.02 135.00 128.49 1g3i s PRO 115 Ca 0.38 0.48 0.00 0.00 0.02 0.00 0.00 61.00 61.88 1g3i s PRO 115 Cb -0.13 -1.59 0.00 0.00 0.02 0.00 0.00 34.50 32.80 1g3i s PRO 115 CO 0.21 -3.59 0.00 -0.85 -0.33 0.00 0.00 177.00 172.44 1g3i n GLU 116 N -4.77 0.81 -0.27 5.54 0.00 -1.26 -4.86 120.64 115.83 1g3i n GLU 116 Ca 0.06 0.00 0.19 0.00 0.00 0.00 0.00 57.16 57.41 1g3i n GLU 116 Cb 0.57 0.00 0.49 0.00 0.00 0.00 0.00 31.44 32.50 1g3i n GLU 116 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1g3i h GLU 117 N 0.00 0.43 0.00 3.44 4.39 -1.98 -2.39 114.58 118.46 1g3i h GLU 117 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1g3i h GLU 117 Cb 0.00 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1g3i h GLU 117 CO 0.00 0.28 0.00 -0.40 -1.16 0.00 0.00 179.01 177.73 1g3i n ASP 118 N -4.55 0.00 -3.40 1.42 5.68 -1.26 -4.93 116.55 109.51 1g3i n ASP 118 Ca 0.21 0.38 -0.19 0.00 -0.50 0.00 0.00 54.79 54.68 1g3i n ASP 118 Cb 0.72 -0.45 0.05 0.00 -1.14 0.00 0.00 41.12 40.30 1g3i n ASP 118 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1g3i n GLN 119 N -1.45 -1.70 -4.08 0.11 -0.00 -0.90 -4.77 117.38 104.60 1g3i n GLN 119 Ca 0.06 0.82 -0.17 0.00 -0.00 0.00 0.00 57.00 57.71 1g3i n GLN 119 Cb 0.21 -5.05 -0.15 0.00 -0.00 0.00 0.00 30.24 25.25 1g3i n GLN 119 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1g3i s ILE 120 N -3.33 0.36 0.00 -0.39 1.01 -1.26 -3.26 121.20 114.33 1g3i s ILE 120 Ca 0.37 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.94 1g3i s ILE 120 Cb -0.09 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1g3i s ILE 120 CO 0.79 0.15 -0.06 -0.76 0.00 0.00 0.00 174.94 175.06 1g3i s LEU 121 N 0.48 2.04 -0.12 2.97 1.43 -0.22 -4.65 118.68 120.62 1g3i s LEU 121 Ca -0.05 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 1g3i s LEU 121 Cb -0.09 -0.26 0.03 0.00 0.03 0.00 0.00 46.19 45.90 1g3i s LEU 121 CO -0.01 0.03 0.30 0.00 0.23 0.00 0.00 176.35 176.91 1g3i s ALA 122 N -0.28 -0.75 0.08 4.21 0.00 -1.26 0.97 121.76 124.73 1g3i s ALA 122 Ca 0.01 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 1g3i s ALA 122 Cb -0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1g3i s ALA 122 CO -0.00 -0.15 -0.01 0.96 0.00 0.00 0.00 175.76 176.56 1g3i s ILE 123 N 0.23 0.25 0.00 0.00 -4.36 0.67 -4.80 121.20 113.20 1g3i s ILE 123 Ca -0.01 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 1g3i s ILE 123 Cb -0.03 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.98 1g3i s ILE 123 CO -0.00 -0.82 0.00 0.61 0.24 0.00 0.00 174.94 174.97 1g3i n GLY 124 N 0.02 1.03 0.19 6.27 0.00 -1.26 -0.54 105.19 110.90 1g3i n GLY 124 Ca -0.11 -2.22 -0.11 0.00 0.00 0.00 0.00 46.02 43.58 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 0.58 -0.40 1.61 4.64 -1.15 -2.79 113.55 116.05 1g3i h SER 125 Ca 0.00 -0.32 -0.16 0.00 -0.47 0.00 0.00 61.79 60.85 1g3i h SER 125 Cb 0.00 -0.16 -0.09 0.00 -0.31 0.00 0.00 62.40 61.84 1g3i h SER 125 CO 0.00 0.76 0.20 0.61 -0.87 0.00 0.00 176.83 177.52 1g3i n GLY 126 N -0.31 2.82 0.00 -0.77 0.00 -0.96 -4.59 105.19 101.39 1g3i n GLY 126 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.07 -2.56 0.53 -0.02 0.00 -1.05 -2.15 105.19 99.87 1g3i n GLY 127 Ca 0.23 0.01 0.37 0.00 0.00 0.00 0.00 46.02 46.62 1g3i n GLY 127 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1g3i h ASN 128 N 0.00 0.12 0.12 1.61 2.35 -1.83 0.41 115.58 118.35 1g3i h ASN 128 Ca 0.00 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1g3i h ASN 128 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1g3i h ASN 128 CO 0.00 -0.01 -0.06 1.88 -1.65 0.00 0.00 177.43 177.59 1g3i h TYR 129 N 0.08 -0.15 -1.17 1.19 0.99 -1.86 0.42 116.97 116.49 1g3i h TYR 129 Ca 0.68 -0.00 0.34 0.00 2.00 0.00 0.00 58.73 61.75 1g3i h TYR 129 Cb 2.46 0.05 -0.10 0.00 1.00 0.00 0.00 36.73 40.14 1g3i h TYR 129 CO -0.00 -0.09 0.76 0.00 -0.00 0.00 0.00 178.16 178.83 1g3i h ALA 130 N -1.91 2.53 0.46 3.88 0.00 -0.48 -0.07 119.26 123.67 1g3i h ALA 130 Ca -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1g3i h ALA 130 Cb 0.12 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1g3i h ALA 130 CO 0.03 -1.00 -0.22 1.25 0.00 0.00 0.00 179.25 179.30 1g3i h LEU 131 N 0.24 -0.53 -0.97 0.00 5.85 -0.01 0.08 115.31 119.96 1g3i h LEU 131 Ca 0.67 0.02 0.21 0.00 0.84 0.00 0.00 57.88 59.63 1g3i h LEU 131 Cb 1.99 0.14 -0.18 0.00 0.37 0.00 0.00 40.66 42.97 1g3i h LEU 131 CO -0.30 -0.30 -0.17 0.28 -0.34 0.00 0.00 178.44 177.61 1g3i h SER 132 N -0.77 -0.79 0.84 1.25 0.02 0.16 0.73 113.55 115.00 1g3i h SER 132 Ca -0.06 0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1g3i h SER 132 Cb 0.48 0.57 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 1g3i h SER 132 CO 0.10 -0.33 -0.49 0.00 -1.14 0.00 0.00 176.83 174.98 1g3i h ALA 133 N 1.97 -1.28 -0.22 3.77 0.00 -1.07 -0.85 119.26 121.58 1g3i h ALA 133 Ca 0.50 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1g3i h ALA 133 Cb 0.85 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 1g3i h ALA 133 CO -0.98 -1.23 -0.40 0.00 0.00 0.00 0.00 179.25 176.65 1g3i h ALA 134 N -1.18 -0.48 -0.89 0.00 0.00 0.15 0.13 119.26 116.99 1g3i h ALA 134 Ca -0.11 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.02 1g3i h ALA 134 Cb 0.98 0.77 -0.12 0.00 0.00 0.00 0.00 17.79 19.42 1g3i h ALA 134 CO 0.14 -0.87 0.41 0.00 0.00 0.00 0.00 179.25 178.93 1g3i h ARG 135 N -0.42 0.45 0.38 0.00 3.08 0.38 0.37 114.38 118.62 1g3i h ARG 135 Ca 0.10 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1g3i h ARG 135 Cb 0.60 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1g3i h ARG 135 CO -0.44 0.30 -0.18 0.00 -1.07 0.00 0.00 179.97 178.57 1g3i h ALA 136 N 1.67 -0.51 0.00 0.04 0.00 0.63 -1.58 119.26 119.51 1g3i h ALA 136 Ca 0.54 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1g3i h ALA 136 Cb 0.96 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1g3i h ALA 136 CO -0.48 -0.71 -0.04 -0.07 0.00 0.00 0.00 179.25 177.95 1g3i h LEU 137 N -0.67 0.00 0.17 0.00 4.07 0.64 -1.37 115.31 118.15 1g3i h LEU 137 Ca -0.05 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.65 1g3i h LEU 137 Cb 0.48 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.24 1g3i h LEU 137 CO 0.09 0.04 -1.17 0.58 -1.08 0.00 0.00 178.44 176.90 1g3i h VAL 138 N 0.00 1.32 -0.02 1.22 2.07 -0.15 -3.16 116.25 117.53 1g3i h VAL 138 Ca -0.00 -2.55 -0.14 0.00 0.82 0.00 0.00 66.70 64.82 1g3i h VAL 138 Cb 0.28 3.04 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1g3i h VAL 138 CO 0.01 0.75 -0.64 -0.33 0.02 0.00 0.00 177.57 177.37 1g3i h GLU 139 N -0.19 0.10 -0.23 1.57 5.08 -1.07 -3.35 114.58 116.50 1g3i h GLU 139 Ca -0.22 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 57.97 1g3i h GLU 139 Cb 1.84 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 31.05 1g3i h GLU 139 CO 0.17 0.71 -0.13 0.09 -1.00 0.00 0.00 179.01 178.85 1g3i n ASN 140 N -3.80 2.56 -3.60 1.42 3.02 -0.53 -5.03 115.26 109.29 1g3i n ASN 140 Ca -0.02 -3.59 -0.09 0.00 -0.03 0.00 0.00 54.58 50.86 1g3i n ASN 140 Cb 0.64 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 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 -3.13 0.00 -0.37 3.41 -1.32 -1.19 -4.98 115.64 108.06 1g3i s THR 141 Ca 0.41 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.86 1g3i s THR 141 Cb 0.37 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.44 1g3i s THR 141 CO 0.00 0.00 2.61 -0.62 -2.21 0.00 0.00 174.62 174.41 1g3i n GLU 142 N 1.20 2.18 -2.94 7.08 -0.58 -1.26 -4.66 120.64 121.66 1g3i n GLU 142 Ca -0.10 -1.98 -0.34 0.00 -0.42 0.00 0.00 57.16 54.32 1g3i n GLU 142 Cb 0.57 -1.97 -0.07 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.88 4.09 0.46 -4.62 1.43 -1.26 -5.03 118.68 111.87 1g3i s LEU 143 Ca 0.51 1.56 -0.25 0.00 -1.03 0.00 0.00 54.13 54.92 1g3i s LEU 143 Cb 0.33 -4.20 -0.08 0.00 0.03 0.00 0.00 46.19 42.27 1g3i s LEU 143 CO -0.14 -0.22 1.44 -0.55 0.23 0.00 0.00 176.35 177.12 1g3i s SER 144 N -2.05 5.82 0.10 2.29 0.15 -1.26 -4.82 113.70 113.94 1g3i s SER 144 Ca 0.55 2.95 -0.26 0.00 0.70 0.00 0.00 55.95 59.90 1g3i s SER 144 Cb -0.12 -2.66 -0.11 0.00 -1.71 0.00 0.00 66.02 61.43 1g3i s SER 144 CO 0.17 -1.22 1.67 0.00 1.20 0.00 0.00 173.24 175.07 1g3i h ALA 145 N 2.28 -0.30 -0.42 5.45 0.00 -1.93 0.12 119.26 124.46 1g3i h ALA 145 Ca -0.51 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.43 1g3i h ALA 145 Cb 1.27 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1g3i h ALA 145 CO 0.61 -0.70 0.06 1.25 0.00 0.00 0.00 179.25 180.47 1g3i h HIS 146 N -0.34 0.10 -0.22 0.00 -0.00 -1.91 -2.31 115.15 110.47 1g3i h HIS 146 Ca 0.01 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1g3i h HIS 146 Cb 0.34 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 1g3i h HIS 146 CO -0.15 -0.01 0.03 0.93 -0.00 0.00 0.00 177.93 178.72 1g3i h GLU 147 N 0.19 0.11 -0.49 5.26 5.08 -1.72 -1.38 114.58 121.62 1g3i h GLU 147 Ca 0.20 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.65 1g3i h GLU 147 Cb 0.26 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 1g3i h GLU 147 CO -0.29 0.07 -0.01 0.82 -1.00 0.00 0.00 179.01 178.60 1g3i h ILE 148 N 0.11 0.61 0.05 3.13 2.04 -0.26 0.20 117.51 123.38 1g3i h ILE 148 Ca 0.10 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1g3i h ILE 148 Cb 0.11 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1g3i h ILE 148 CO -0.14 0.02 -0.31 0.58 0.00 0.00 0.00 178.15 178.29 1g3i h VAL 149 N 0.10 0.33 -0.44 1.67 2.07 -0.96 0.15 116.25 119.17 1g3i h VAL 149 Ca 0.25 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.85 1g3i h VAL 149 Cb 0.37 0.33 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 1g3i h VAL 149 CO -0.42 0.00 -0.31 -0.08 0.02 0.00 0.00 177.57 176.78 1g3i h GLU 150 N -0.49 -0.21 0.25 1.57 4.22 -0.23 -0.05 114.58 119.64 1g3i h GLU 150 Ca 0.05 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 1g3i h GLU 150 Cb 0.55 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1g3i h GLU 150 CO -0.23 -0.14 -0.18 0.87 -2.18 0.00 0.00 179.01 177.15 1g3i h LYS 151 N -0.22 -0.39 -0.94 1.92 1.79 -0.09 -2.98 116.57 115.66 1g3i h LYS 151 Ca 0.19 0.03 0.23 0.00 -2.18 0.00 0.00 60.65 58.91 1g3i h LYS 151 Cb 0.53 0.09 -0.12 0.00 -1.58 0.00 0.00 32.23 31.15 1g3i h LYS 151 CO -0.57 -0.26 0.49 0.77 -1.08 0.00 0.00 179.45 178.80 1g3i h SER 152 N -0.41 0.50 -0.17 0.86 0.02 -0.48 0.62 113.55 114.49 1g3i h SER 152 Ca -0.03 0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1g3i h SER 152 Cb 0.33 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1g3i h SER 152 CO 0.01 0.06 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.60 1g3i h LEU 153 N 0.49 -0.32 0.08 5.07 3.38 -0.99 -0.80 115.31 122.22 1g3i h LEU 153 Ca 0.59 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.64 1g3i h LEU 153 Cb 1.11 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1g3i h LEU 153 CO -0.50 -0.13 -0.13 -0.09 0.09 0.00 0.00 178.44 177.69 1g3i h ARG 154 N -0.09 -0.21 -0.82 1.13 2.43 -0.74 0.27 114.38 116.37 1g3i h ARG 154 Ca 0.10 0.01 0.29 0.00 -0.81 0.00 0.00 59.98 59.57 1g3i h ARG 154 Cb 0.23 0.05 -0.15 0.00 -0.42 0.00 0.00 29.97 29.68 1g3i h ARG 154 CO -0.23 -0.14 0.24 -0.89 -1.51 0.00 0.00 179.97 177.44 1g3i n ILE 155 N -3.11 -0.34 -0.02 1.20 5.41 -0.90 0.64 119.36 122.25 1g3i n ILE 155 Ca -0.02 1.72 -0.13 0.00 1.00 0.00 0.00 62.75 65.32 1g3i n ILE 155 Cb 0.11 -2.66 -0.10 0.00 -0.71 0.00 0.00 39.64 36.27 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 1.63 -0.01 -0.18 -1.39 0.00 -0.33 -3.08 119.26 115.90 1g3i h ALA 156 Ca 0.60 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1g3i h ALA 156 Cb 1.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1g3i h ALA 156 CO -0.69 -0.23 0.24 0.78 0.00 0.00 0.00 179.25 179.35 1g3i h GLY 157 N -0.57 0.00 1.75 0.00 0.00 0.38 0.15 103.07 104.77 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 0.00 0.00 -0.20 -0.55 0.00 0.00 0.00 176.54 175.80 1g3i h ASP 158 N 0.00 0.00 0.00 0.19 3.45 -1.11 -3.31 116.42 115.64 1g3i h ASP 158 Ca 0.09 -0.06 -0.17 0.00 0.43 0.00 0.00 57.03 57.33 1g3i h ASP 158 Cb 0.56 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.30 1g3i h ASP 158 CO -0.00 0.03 -1.85 -0.38 -1.57 0.00 0.00 179.24 175.47 1g3i n ILE 159 N -2.33 0.62 -3.60 0.35 5.41 0.27 -4.94 119.36 115.13 1g3i n ILE 159 Ca 0.05 -0.50 -0.37 0.00 1.00 0.00 0.00 62.75 62.93 1g3i n ILE 159 Cb 0.45 -0.37 -0.09 0.00 -0.71 0.00 0.00 39.64 38.92 1g3i n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i h VAL 161 N 4.96 0.00 -0.68 0.00 -1.51 -1.90 -2.64 116.25 114.49 1g3i h VAL 161 Ca -0.38 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 1g3i h VAL 161 Cb 1.17 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1g3i h VAL 161 CO 0.69 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 177.52 1g3i n PHE 162 N -2.47 1.34 -4.19 5.19 3.72 -1.26 -4.90 117.46 114.88 1g3i n PHE 162 Ca 0.02 -0.58 -0.17 0.00 -0.05 0.00 0.00 57.45 56.67 1g3i n PHE 162 Cb 0.28 -0.17 -0.15 0.00 -0.94 0.00 0.00 39.48 38.50 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 -1.59 0.48 0.36 4.37 2.01 -1.00 -3.01 115.64 117.26 1g3i s THR 163 Ca 0.51 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.33 1g3i s THR 163 Cb 0.31 -0.44 0.03 0.00 0.01 0.00 0.00 72.50 72.41 1g3i s THR 163 CO 0.27 0.16 0.27 -0.46 -0.69 0.00 0.00 174.62 174.18 1g3i n ASN 164 N 3.28 2.14 -0.58 3.53 2.04 -1.26 -4.64 115.26 119.77 1g3i n ASN 164 Ca -0.17 -2.24 0.11 0.00 -0.44 0.00 0.00 54.58 51.84 1g3i n ASN 164 Cb 0.56 -0.03 0.02 0.00 -2.53 0.00 0.00 39.78 37.79 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 -1.36 0.00 -2.48 5.53 -2.24 -1.26 -4.66 114.28 107.81 1g3i n THR 165 Ca -0.01 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 1g3i n THR 165 Cb 0.41 1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 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 -2.22 6.05 0.46 3.42 3.84 -1.26 -4.98 114.94 120.24 1g3i s ASN 166 Ca 0.20 -0.33 0.04 0.00 0.21 0.00 0.00 52.86 52.98 1g3i s ASN 166 Cb 0.17 -2.56 0.01 0.00 -0.55 0.00 0.00 41.25 38.33 1g3i s ASN 166 CO 0.47 -1.90 0.64 -0.36 -2.79 0.00 0.00 177.10 173.16 1g3i s PHE 167 N 6.16 2.93 -0.15 0.43 2.99 -1.26 -1.92 117.98 127.16 1g3i s PHE 167 Ca 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 56.93 57.14 1g3i s PHE 167 Cb -0.09 -2.44 0.07 0.00 0.00 0.00 0.00 43.02 40.56 1g3i s PHE 167 CO 0.16 -0.51 0.16 0.99 -0.00 0.00 0.00 175.22 176.02 1g3i s THR 168 N -2.50 -0.23 -0.05 0.64 2.01 -0.81 -4.95 115.64 109.75 1g3i s THR 168 Ca 0.53 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.62 1g3i s THR 168 Cb -0.10 -0.50 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 1g3i s THR 168 CO 0.35 -0.10 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.39 1g3i s ILE 169 N 2.26 1.38 -0.08 1.82 1.01 -1.26 -2.70 121.20 123.62 1g3i s ILE 169 Ca 0.04 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1g3i s ILE 169 Cb -0.14 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.13 1g3i s ILE 169 CO -0.09 0.40 -0.16 -1.61 0.00 0.00 0.00 174.94 173.49 1g3i s GLU 170 N 0.17 2.13 0.31 2.79 0.41 -0.83 -5.02 118.70 118.66 1g3i s GLU 170 Ca -0.06 -0.55 0.09 0.00 -0.41 0.00 0.00 54.97 54.04 1g3i s GLU 170 Cb -0.12 -1.72 -0.05 0.00 -1.78 0.00 0.00 34.13 30.46 1g3i s GLU 170 CO 0.03 0.05 -0.01 -1.83 -0.49 0.00 0.00 175.26 173.01 1g3i s GLU 171 N 0.65 2.11 -0.40 1.61 -1.05 -1.26 -0.92 118.70 119.44 1g3i s GLU 171 Ca -0.14 -1.65 -0.02 0.00 -0.15 0.00 0.00 54.97 53.01 1g3i s GLU 171 Cb -0.16 -1.99 0.11 0.00 -0.44 0.00 0.00 34.13 31.65 1g3i s GLU 171 CO 0.04 0.21 0.18 -0.51 0.95 0.00 0.00 175.26 176.13 1g3i s LEU 172 N -3.69 5.15 0.00 1.83 1.43 0.14 -4.97 118.68 118.57 1g3i s LEU 172 Ca 0.34 -2.02 0.00 0.00 -1.03 0.00 0.00 54.13 51.42 1g3i s LEU 172 Cb -0.02 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1g3i s LEU 172 CO 0.19 -0.52 0.47 -0.81 0.23 0.00 0.00 176.35 175.92