#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 -0.06 12.58 2.01 -1.26 -0.07 115.64 128.48 1g3i s THR 2 Ca 0.00 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1g3i s THR 2 Cb 0.00 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 72.12 1g3i s THR 2 CO 0.00 0.12 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.35 1g3i s ILE 3 N 2.29 0.80 0.03 1.82 1.01 -0.27 -1.80 121.20 125.08 1g3i s ILE 3 Ca 0.01 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1g3i s ILE 3 Cb -0.12 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 1g3i s ILE 3 CO -0.08 0.29 -0.05 0.54 0.00 0.00 0.00 174.94 175.64 1g3i s VAL 4 N 1.02 0.34 -0.03 2.92 0.11 0.44 0.22 120.40 125.42 1g3i s VAL 4 Ca -0.09 -0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 58.14 1g3i s VAL 4 Cb -0.14 -0.41 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1g3i s VAL 4 CO -0.00 -0.31 0.05 -0.55 -3.33 0.00 0.00 175.10 170.96 1g3i s SER 5 N -1.19 0.66 0.17 3.54 0.15 0.19 -1.08 113.70 116.13 1g3i s SER 5 Ca -0.09 0.07 0.10 0.00 0.70 0.00 0.00 55.95 56.73 1g3i s SER 5 Cb -0.08 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 1g3i s SER 5 CO -0.00 -0.20 -0.20 -0.69 1.20 0.00 0.00 173.24 173.36 1g3i s VAL 6 N 1.69 2.65 -0.08 4.45 1.01 -0.90 -1.21 120.40 128.01 1g3i s VAL 6 Ca -0.01 -1.80 -0.03 0.00 0.00 0.00 0.00 61.98 60.14 1g3i s VAL 6 Cb -0.12 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.04 1g3i s VAL 6 CO -0.03 -0.04 0.17 -0.60 0.00 0.00 0.00 175.10 174.59 1g3i s ARG 7 N -2.52 0.11 -0.29 2.72 3.52 -1.25 -1.19 118.95 120.04 1g3i s ARG 7 Ca 0.20 0.42 -0.17 0.00 -0.13 0.00 0.00 55.73 56.05 1g3i s ARG 7 Cb -0.09 -0.17 0.13 0.00 -1.56 0.00 0.00 34.95 33.26 1g3i s ARG 7 CO 0.11 -0.18 0.95 -0.98 -0.81 0.00 0.00 175.30 174.39 1g3i s ARG 8 N 1.29 0.44 -0.25 5.12 1.70 -0.70 -4.89 118.95 121.66 1g3i s ARG 8 Ca -0.08 0.72 -0.00 0.00 -0.47 0.00 0.00 55.73 55.90 1g3i s ARG 8 Cb -0.11 0.11 -0.00 0.00 -0.57 0.00 0.00 34.95 34.37 1g3i s ARG 8 CO -0.06 -0.09 0.21 0.09 -1.08 0.00 0.00 175.30 174.37 1g3i n ASN 9 N 3.58 -2.06 -1.43 -2.89 4.13 -1.26 -3.51 115.26 111.83 1g3i n ASN 9 Ca -0.18 -0.13 -0.18 0.00 1.68 0.00 0.00 54.58 55.78 1g3i n ASN 9 Cb 0.58 -1.46 -0.08 0.00 -1.54 0.00 0.00 39.78 37.28 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 -1.05 1.67 3.30 7.41 0.00 -1.26 -4.95 105.19 110.31 1g3i n GLY 10 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.47 2.54 -0.04 1.61 -1.52 -1.23 -4.87 119.66 112.68 1g3i s GLN 11 Ca 0.00 -0.88 0.04 0.00 -1.95 0.00 0.00 55.36 52.57 1g3i s GLN 11 Cb 0.00 -2.20 0.00 0.00 -0.22 0.00 0.00 33.01 30.60 1g3i s GLN 11 CO 0.00 0.42 -0.15 0.08 -0.25 0.00 0.00 175.29 175.39 1g3i s VAL 12 N -0.24 1.25 -0.00 1.09 1.01 -1.25 -1.72 120.40 120.54 1g3i s VAL 12 Ca -0.01 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1g3i s VAL 12 Cb -0.13 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 1g3i s VAL 12 CO 0.03 0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.77 1g3i s VAL 13 N 0.15 0.32 -0.10 2.92 1.01 -0.34 0.11 120.40 124.48 1g3i s VAL 13 Ca -0.05 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1g3i s VAL 13 Cb -0.11 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.00 1g3i s VAL 13 CO 0.02 0.10 -0.13 -0.69 0.00 0.00 0.00 175.10 174.39 1g3i s VAL 14 N -0.04 1.34 0.03 2.92 1.01 0.08 -2.12 120.40 123.61 1g3i s VAL 14 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1g3i s VAL 14 Cb -0.02 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1g3i s VAL 14 CO -0.00 0.41 -0.04 -0.83 0.00 0.00 0.00 175.10 174.64 1g3i s GLY 15 N 1.01 0.35 0.17 4.51 0.00 -0.24 -1.94 107.32 111.18 1g3i s GLY 15 Ca -0.07 -0.76 -0.14 0.00 0.00 0.00 0.00 44.72 43.75 1g3i s GLY 15 CO -0.01 -0.83 0.41 -0.32 0.00 0.00 0.00 173.10 172.35 1g3i s GLY 16 N -1.78 0.07 0.00 0.20 0.00 -1.12 -0.42 107.32 104.27 1g3i s GLY 16 Ca -0.10 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1g3i s GLY 16 CO -0.02 -0.48 0.00 2.09 0.00 0.00 0.00 173.10 174.69 1g3i n ASP 17 N -0.27 0.00 -0.38 1.64 5.75 -0.74 -2.12 116.55 120.42 1g3i n ASP 17 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 1g3i n ASP 17 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 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 3.99 0.44 3.58 6.12 0.00 -1.00 -4.07 105.19 114.24 1g3i n GLY 18 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.72 -0.75 1.61 0.74 -1.26 -1.41 119.66 122.32 1g3i s GLN 19 Ca 0.00 0.29 -0.17 0.00 0.05 0.00 0.00 55.36 55.54 1g3i s GLN 19 Cb 0.00 -3.83 0.16 0.00 1.10 0.00 0.00 33.01 30.44 1g3i s GLN 19 CO 0.00 -0.90 0.79 0.08 -0.55 0.00 0.00 175.29 174.71 1g3i s VAL 20 N 3.19 5.17 0.32 1.34 1.01 -0.21 -4.71 120.40 126.50 1g3i s VAL 20 Ca 0.32 -1.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.31 1g3i s VAL 20 Cb -0.13 -4.52 -0.10 0.00 0.00 0.00 0.00 36.38 31.63 1g3i s VAL 20 CO 0.18 -1.13 0.88 -0.44 0.00 0.00 0.00 175.10 174.58 1g3i s SER 21 N 3.04 7.16 -0.36 3.32 0.01 -1.26 -1.72 113.70 123.89 1g3i s SER 21 Ca 0.17 1.66 0.00 0.00 1.31 0.00 0.00 55.95 59.10 1g3i s SER 21 Cb -0.15 -2.52 0.12 0.00 0.21 0.00 0.00 66.02 63.68 1g3i s SER 21 CO -0.03 -0.11 0.16 -0.22 0.41 0.00 0.00 173.24 173.45 1g3i s LEU 22 N -2.31 2.07 0.00 2.44 2.96 0.47 -4.84 118.68 119.47 1g3i s LEU 22 Ca 0.51 -2.03 0.00 0.00 -0.22 0.00 0.00 54.13 52.39 1g3i s LEU 22 Cb -0.16 -0.81 0.00 0.00 0.50 0.00 0.00 46.19 45.72 1g3i s LEU 22 CO 0.21 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 1g3i n GLY 23 N 4.32 1.74 0.00 7.98 0.00 -1.26 -1.97 105.19 116.00 1g3i n GLY 23 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 10.24 1.44 -4.95 1.61 5.03 -1.26 -5.03 115.26 122.34 1g3i n ASN 24 Ca 0.00 -1.61 -0.20 0.00 0.87 0.00 0.00 54.58 53.64 1g3i n ASN 24 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 -0.61 2.65 -0.32 3.41 -4.23 -0.83 -5.11 115.64 110.61 1g3i s THR 25 Ca 0.00 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1g3i s THR 25 Cb 0.00 -2.82 0.09 0.00 1.34 0.00 0.00 72.50 71.11 1g3i s THR 25 CO 0.00 0.00 0.04 -0.69 -0.54 0.00 0.00 174.62 173.43 1g3i s VAL 26 N -2.47 1.88 0.35 2.29 1.01 -1.26 -0.40 120.40 121.80 1g3i s VAL 26 Ca 0.52 -1.96 0.03 0.00 0.00 0.00 0.00 61.98 60.57 1g3i s VAL 26 Cb -0.06 -2.33 0.24 0.00 0.00 0.00 0.00 36.38 34.23 1g3i s VAL 26 CO 0.31 -0.52 1.98 -0.03 0.00 0.00 0.00 175.10 176.84 1g3i h MET 27 N 7.77 0.75 -2.89 2.72 4.05 -1.66 -3.45 114.93 122.22 1g3i h MET 27 Ca -0.09 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.23 1g3i h MET 27 Cb 1.03 -0.16 -0.14 0.00 -0.80 0.00 0.00 31.60 31.53 1g3i h MET 27 CO 0.49 0.54 0.15 0.21 0.23 0.00 0.00 176.91 178.54 1g3i s LYS 28 N -5.53 1.20 0.00 0.39 2.20 -1.20 -5.03 119.74 111.76 1g3i s LYS 28 Ca -0.09 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1g3i s LYS 28 Cb 0.17 0.55 0.00 0.00 -1.51 0.00 0.00 37.83 37.04 1g3i s LYS 28 CO 0.76 -0.49 0.18 0.41 -0.36 0.00 0.00 175.35 175.86 1g3i n GLY 29 N -0.10 0.08 1.71 5.54 0.00 -1.26 -1.05 105.19 110.12 1g3i n GLY 29 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.24 4.40 -4.82 1.61 0.23 -1.16 -4.10 115.26 111.18 1g3i n ASN 30 Ca 0.00 -3.79 -0.31 0.00 -0.53 0.00 0.00 54.58 49.95 1g3i n ASN 30 Cb 0.06 -0.56 0.05 0.00 -2.08 0.00 0.00 39.78 37.25 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 -3.51 2.70 -0.57 -2.53 0.00 -0.50 -5.01 121.76 112.34 1g3i s ALA 31 Ca 0.51 0.10 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 1g3i s ALA 31 Cb 0.42 -3.18 0.15 0.00 0.00 0.00 0.00 23.12 20.52 1g3i s ALA 31 CO 0.01 -1.18 0.42 1.03 0.00 0.00 0.00 175.76 176.03 1g3i s ARG 32 N -4.99 2.57 0.00 0.00 0.52 -1.26 -4.29 118.95 111.49 1g3i s ARG 32 Ca 0.58 -2.21 0.11 0.00 -0.52 0.00 0.00 55.73 53.69 1g3i s ARG 32 Cb -0.14 -3.84 0.64 0.00 0.52 0.00 0.00 34.95 32.13 1g3i s ARG 32 CO 0.54 -1.18 1.41 1.63 0.02 0.00 0.00 175.30 177.73 1g3i n LYS 33 N 4.09 1.02 -3.78 3.54 5.02 -1.26 -4.74 118.16 122.05 1g3i n LYS 33 Ca 0.03 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1g3i n LYS 33 Cb 0.40 -1.17 -0.14 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.99 -0.04 0.28 -0.18 1.01 -1.26 -1.08 120.40 117.14 1g3i s VAL 34 Ca 0.17 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1g3i s VAL 34 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 1g3i s VAL 34 CO 0.13 0.06 0.23 -0.13 0.00 0.00 0.00 175.10 175.39 1g3i s ARG 35 N 0.80 1.56 -0.10 2.72 0.52 0.08 -4.95 118.95 119.59 1g3i s ARG 35 Ca -0.06 -1.87 -0.04 0.00 -0.52 0.00 0.00 55.73 53.24 1g3i s ARG 35 Cb -0.09 0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 1g3i s ARG 35 CO -0.03 -0.56 0.08 1.03 0.02 0.00 0.00 175.30 175.84 1g3i s ARG 36 N -3.69 3.24 0.44 3.54 0.52 -1.26 -1.70 118.95 120.02 1g3i s ARG 36 Ca 0.40 -0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 1g3i s ARG 36 Cb 0.04 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 1g3i s ARG 36 CO 0.22 0.74 0.06 -0.51 0.02 0.00 0.00 175.30 175.83 1g3i s LEU 37 N -1.03 2.20 -0.78 2.53 1.43 -0.40 -4.77 118.68 117.85 1g3i s LEU 37 Ca 0.15 -1.61 -0.10 0.00 -1.03 0.00 0.00 54.13 51.54 1g3i s LEU 37 Cb -0.12 -0.43 0.01 0.00 0.03 0.00 0.00 46.19 45.69 1g3i s LEU 37 CO 0.04 -0.82 0.51 0.00 0.23 0.00 0.00 176.35 176.31 1g3i n TYR 38 N -1.02 -1.45 -3.46 0.29 -0.00 -1.26 -2.36 117.16 107.91 1g3i n TYR 38 Ca -0.10 0.44 -0.19 0.00 -0.00 0.00 0.00 57.90 58.05 1g3i n TYR 38 Cb 0.66 -2.22 0.03 0.00 -0.00 0.00 0.00 39.34 37.81 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 -6.15 -4.15 2.98 3.02 -1.26 -3.29 115.26 104.54 1g3i n ASN 39 Ca -0.20 -0.71 -0.34 0.00 -0.03 0.00 0.00 54.58 53.30 1g3i n ASN 39 Cb 0.53 -3.93 -0.08 0.00 -0.61 0.00 0.00 39.78 35.68 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 -0.25 0.00 7.41 0.00 -0.99 -4.80 105.19 104.93 1g3i n GLY 40 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.85 0.86 -4.25 1.61 0.00 -1.03 -4.96 118.16 106.53 1g3i n LYS 41 Ca -0.05 -0.28 -0.17 0.00 -0.00 0.00 0.00 58.31 57.80 1g3i n LYS 41 Cb 0.48 -0.75 -0.15 0.00 -0.00 0.00 0.00 35.03 34.62 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 -0.20 0.55 -0.17 0.58 -7.23 -1.19 -4.21 120.40 108.53 1g3i s VAL 42 Ca 0.00 -0.28 -0.08 0.00 -1.81 0.00 0.00 61.98 59.81 1g3i s VAL 42 Cb 0.00 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 1g3i s VAL 42 CO 0.00 0.16 0.09 -0.76 -0.31 0.00 0.00 175.10 174.28 1g3i s LEU 43 N -0.05 3.97 -0.07 1.32 1.43 0.23 -1.28 118.68 124.24 1g3i s LEU 43 Ca 0.01 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1g3i s LEU 43 Cb -0.04 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1g3i s LEU 43 CO -0.00 0.21 -0.07 0.00 0.23 0.00 0.00 176.35 176.72 1g3i s ALA 44 N 0.13 0.98 -0.07 4.21 0.00 -0.69 0.10 121.76 126.42 1g3i s ALA 44 Ca 0.06 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1g3i s ALA 44 Cb -0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1g3i s ALA 44 CO 0.00 -0.09 -0.24 0.20 0.00 0.00 0.00 175.76 175.63 1g3i s GLY 45 N 1.08 1.32 0.05 0.00 0.00 0.19 -0.74 107.32 109.23 1g3i s GLY 45 Ca -0.08 -1.02 0.08 0.00 0.00 0.00 0.00 44.72 43.70 1g3i s GLY 45 CO -0.01 -0.56 -0.23 -0.11 0.00 0.00 0.00 173.10 172.20 1g3i s PHE 46 N -0.04 1.99 -0.12 1.90 -0.71 -0.24 0.42 117.98 121.17 1g3i s PHE 46 Ca -0.07 -0.39 -0.07 0.00 -1.04 0.00 0.00 56.93 55.36 1g3i s PHE 46 Cb -0.15 -1.17 0.05 0.00 -1.21 0.00 0.00 43.02 40.53 1g3i s PHE 46 CO 0.05 0.12 0.28 0.00 -1.34 0.00 0.00 175.22 174.34 1g3i s ALA 47 N -0.84 -0.68 0.00 1.99 0.00 -0.24 -4.87 121.76 117.12 1g3i s ALA 47 Ca 0.09 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1g3i s ALA 47 Cb -0.09 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1g3i s ALA 47 CO 0.02 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1g3i n GLY 48 N 4.01 -0.07 3.67 0.00 0.00 -1.26 -0.35 105.19 111.19 1g3i n GLY 48 Ca -0.23 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 1.92 0.21 -0.02 0.00 -0.90 -4.87 107.32 103.66 1g3i s GLY 49 Ca 0.00 0.29 0.14 0.00 0.00 0.00 0.00 44.72 45.15 1g3i s GLY 49 CO 0.00 2.13 0.81 -1.30 0.00 0.00 0.00 173.10 174.74 1g3i n THR 50 N 5.05 -0.17 -0.00 0.90 -2.24 -1.26 0.08 114.28 116.63 1g3i n THR 50 Ca 0.11 0.98 -0.00 0.00 -2.27 0.00 0.00 64.05 62.87 1g3i n THR 50 Cb 0.47 -1.60 -0.00 0.00 -2.10 0.00 0.00 70.33 67.09 1g3i n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g3i h ALA 51 N 0.92 0.00 -1.22 6.98 0.00 -1.98 -3.30 119.26 120.67 1g3i h ALA 51 Ca 0.44 -0.06 0.37 0.00 0.00 0.00 0.00 54.91 55.66 1g3i h ALA 51 Cb 1.31 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 1g3i h ALA 51 CO -0.32 0.00 0.79 -0.44 0.00 0.00 0.00 179.25 179.29 1g3i h ASP 52 N -0.02 0.30 0.00 0.00 5.19 -1.50 0.27 116.42 120.65 1g3i h ASP 52 Ca 0.00 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1g3i h ASP 52 Cb 0.00 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1g3i h ASP 52 CO 0.00 -0.06 0.00 0.00 -3.12 0.00 0.00 179.24 176.06 1g3i n ALA 53 N -2.53 -0.32 -0.22 3.45 0.00 0.11 -0.26 120.51 120.74 1g3i n ALA 53 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.74 1g3i n ALA 53 Cb 1.22 0.16 0.05 0.00 0.00 0.00 0.00 19.45 20.87 1g3i n ALA 53 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1g3i h PHE 54 N 0.00 -0.57 -0.58 0.00 -1.00 -0.65 0.17 116.94 114.31 1g3i h PHE 54 Ca 0.00 0.06 0.11 0.00 2.81 0.00 0.00 57.97 60.95 1g3i h PHE 54 Cb 0.00 0.35 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1g3i h PHE 54 CO -0.14 -0.33 0.39 0.00 -1.61 0.00 0.00 178.31 176.62 1g3i h THR 55 N -0.06 0.86 0.38 -1.55 1.03 -0.52 0.90 112.91 113.95 1g3i h THR 55 Ca 0.29 -0.11 -0.02 0.00 -0.01 0.00 0.00 66.41 66.56 1g3i h THR 55 Cb 0.52 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 68.11 1g3i h THR 55 CO -0.69 0.06 -0.18 0.25 -0.01 0.00 0.00 175.52 174.95 1g3i h LEU 56 N 0.32 -0.43 -0.76 0.00 6.46 0.21 -2.50 115.31 118.62 1g3i h LEU 56 Ca 0.27 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 58.18 1g3i h LEU 56 Cb 0.63 0.11 -0.14 0.00 -0.73 0.00 0.00 40.66 40.53 1g3i h LEU 56 CO -0.07 0.01 -0.22 0.15 -0.62 0.00 0.00 178.44 177.69 1g3i h PHE 57 N -1.13 -0.51 0.00 1.25 3.04 -0.50 0.40 116.94 119.49 1g3i h PHE 57 Ca -0.05 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1g3i h PHE 57 Cb 0.40 0.34 -0.00 0.00 2.56 0.00 0.00 35.95 39.25 1g3i h PHE 57 CO 0.00 -0.34 -0.05 0.93 -2.02 0.00 0.00 178.31 176.83 1g3i h GLU 58 N -0.02 0.00 0.01 1.11 5.08 0.79 -2.47 114.58 119.08 1g3i h GLU 58 Ca 0.35 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.56 1g3i h GLU 58 Cb 0.56 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1g3i h GLU 58 CO -0.79 0.05 -0.60 -0.07 -1.00 0.00 0.00 179.01 176.60 1g3i h LEU 59 N 0.00 0.50 -2.10 1.33 4.07 0.23 -3.01 115.31 116.33 1g3i h LEU 59 Ca -0.00 -0.78 0.08 0.00 0.08 0.00 0.00 57.88 57.25 1g3i h LEU 59 Cb 0.10 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1g3i h LEU 59 CO 0.01 1.22 0.22 0.15 -1.08 0.00 0.00 178.44 178.96 1g3i h PHE 60 N -0.16 0.00 0.10 1.13 3.57 -0.84 -2.16 116.94 118.58 1g3i h PHE 60 Ca -0.08 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1g3i h PHE 60 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1g3i h PHE 60 CO 0.15 0.00 -0.05 1.49 -2.23 0.00 0.00 178.31 177.68 1g3i h GLU 61 N 0.00 -0.12 -1.04 1.11 4.81 -1.46 -1.31 114.58 116.57 1g3i h GLU 61 Ca 0.13 0.01 0.36 0.00 -0.13 0.00 0.00 59.36 59.72 1g3i h GLU 61 Cb 0.57 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 29.83 1g3i h GLU 61 CO -0.00 0.35 0.60 0.00 -0.73 0.00 0.00 179.01 179.23 1g3i h ARG 62 N -0.92 0.22 0.08 1.92 3.08 -1.29 0.38 114.38 117.85 1g3i h ARG 62 Ca -0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1g3i h ARG 62 Cb 0.53 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1g3i h ARG 62 CO 0.02 0.14 -0.04 -0.22 -1.07 0.00 0.00 179.97 178.80 1g3i h LYS 63 N 0.22 -0.11 -0.64 0.04 1.63 -1.34 0.88 116.57 117.26 1g3i h LYS 63 Ca 0.77 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.63 1g3i h LYS 63 Cb 1.92 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 33.52 1g3i h LYS 63 CO -0.61 0.18 0.35 -0.07 -3.45 0.00 0.00 179.45 175.86 1g3i h LEU 64 N -0.40 0.53 -0.82 5.20 3.38 0.40 -0.64 115.31 122.97 1g3i h LEU 64 Ca -0.01 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1g3i h LEU 64 Cb 0.34 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1g3i h LEU 64 CO 0.02 0.35 0.49 -0.33 0.09 0.00 0.00 178.44 179.06 1g3i h GLU 65 N 0.66 0.83 0.00 1.13 4.39 -0.11 -1.24 114.58 120.25 1g3i h GLU 65 Ca 0.28 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1g3i h GLU 65 Cb 0.16 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1g3i h GLU 65 CO -0.17 0.55 0.00 -1.33 -1.16 0.00 0.00 179.01 176.90 1g3i n MET 66 N -4.69 0.03 -2.54 2.33 2.81 0.28 -4.16 117.12 111.18 1g3i n MET 66 Ca 0.13 0.13 -0.16 0.00 -1.81 0.00 0.00 57.70 55.98 1g3i n MET 66 Cb 0.23 -1.54 0.02 0.00 -0.71 0.00 0.00 33.22 31.21 1g3i n MET 66 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1g3i n HIS 67 N -1.60 2.21 -2.43 2.03 8.25 -0.60 -4.95 115.22 118.12 1g3i n HIS 67 Ca 0.05 -2.78 -0.09 0.00 -0.26 0.00 0.00 57.72 54.65 1g3i n HIS 67 Cb 0.28 -0.24 -0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.35 -2.43 -2.57 -0.41 6.02 -1.23 -1.23 117.38 115.18 1g3i n GLN 68 Ca 0.24 0.42 -0.21 0.00 -0.01 0.00 0.00 57.00 57.44 1g3i n GLN 68 Cb 0.77 -4.98 0.00 0.00 1.02 0.00 0.00 30.24 27.06 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 -0.70 -0.51 3.56 1.08 0.00 -0.54 -4.89 105.19 103.20 1g3i n GLY 69 Ca -0.10 0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.04 2.45 0.01 1.61 3.76 -0.36 -4.87 115.29 114.84 1g3i s HIS 70 Ca 0.08 -0.73 -0.01 0.00 -0.15 0.00 0.00 55.06 54.25 1g3i s HIS 70 Cb -0.04 -4.59 -0.00 0.00 1.11 0.00 0.00 32.58 29.06 1g3i s HIS 70 CO 0.10 -1.85 0.48 -0.11 -0.85 0.00 0.00 174.74 172.50 1g3i n LEU 71 N 9.76 -0.03 -0.18 0.89 -0.00 -1.26 -0.98 117.00 125.19 1g3i n LEU 71 Ca 0.38 0.48 -0.13 0.00 -0.00 0.00 0.00 56.01 56.74 1g3i n LEU 71 Cb 0.49 -0.22 -0.10 0.00 -0.00 0.00 0.00 43.42 43.60 1g3i n LEU 71 CO 0.67 -0.26 0.49 0.25 -0.00 0.00 0.00 177.39 178.55 1g3i h LEU 72 N 0.00 -1.84 0.19 -1.96 7.12 -1.99 -0.46 115.31 116.36 1g3i h LEU 72 Ca 0.01 0.25 0.01 0.00 0.13 0.00 0.00 57.88 58.27 1g3i h LEU 72 Cb 0.01 0.77 -0.02 0.00 -0.53 0.00 0.00 40.66 40.89 1g3i h LEU 72 CO -0.03 -0.36 -0.22 0.50 -0.13 0.00 0.00 178.44 178.20 1g3i h LYS 73 N -0.31 -0.44 -0.78 1.25 3.64 -1.64 -1.55 116.57 116.72 1g3i h LYS 73 Ca 0.08 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.58 1g3i h LYS 73 Cb 0.54 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.34 1g3i h LYS 73 CO -0.63 -0.29 -0.52 0.77 -2.27 0.00 0.00 179.45 176.50 1g3i h SER 74 N -0.46 -1.86 -0.15 4.20 0.02 -0.65 0.39 113.55 115.03 1g3i h SER 74 Ca 0.01 0.29 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 1g3i h SER 74 Cb 0.44 0.83 -0.06 0.00 0.14 0.00 0.00 62.40 63.76 1g3i h SER 74 CO -0.08 -0.30 -0.48 0.00 -1.14 0.00 0.00 176.83 174.83 1g3i h ALA 75 N 0.54 -0.83 -0.28 3.77 0.00 -0.62 0.13 119.26 121.97 1g3i h ALA 75 Ca 0.17 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1g3i h ALA 75 Cb 0.51 0.98 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 1g3i h ALA 75 CO -0.82 -1.01 -0.16 0.28 0.00 0.00 0.00 179.25 177.54 1g3i h VAL 76 N -0.49 0.53 -1.00 0.00 2.07 -0.25 0.19 116.25 117.29 1g3i h VAL 76 Ca 0.03 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.78 1g3i h VAL 76 Cb 0.59 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 30.78 1g3i h VAL 76 CO -0.41 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 177.47 1g3i h GLU 77 N -0.13 0.58 -0.00 1.57 4.39 0.47 0.38 114.58 121.84 1g3i h GLU 77 Ca 0.15 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1g3i h GLU 77 Cb 0.36 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1g3i h GLU 77 CO -0.36 0.39 -0.00 1.25 -1.16 0.00 0.00 179.01 179.12 1g3i h LEU 78 N 0.60 0.00 -0.61 1.33 5.85 0.75 -2.95 115.31 120.28 1g3i h LEU 78 Ca 0.60 -0.42 0.09 0.00 0.84 0.00 0.00 57.88 58.98 1g3i h LEU 78 Cb 1.15 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 1g3i h LEU 78 CO -0.38 0.42 0.25 0.00 -0.34 0.00 0.00 178.44 178.39 1g3i h ALA 79 N 0.58 0.79 -0.40 1.25 0.00 0.75 0.54 119.26 122.77 1g3i h ALA 79 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1g3i h ALA 79 Cb 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1g3i h ALA 79 CO 0.00 -0.16 0.35 1.57 0.00 0.00 0.00 179.25 181.02 1g3i h LYS 80 N 0.45 0.00 -0.38 0.00 5.09 -0.21 0.43 116.57 121.94 1g3i h LYS 80 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.04 1g3i h LYS 80 Cb 0.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.67 1g3i h LYS 80 CO -0.28 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 176.83 1g3i n ASP 81 N -4.01 0.38 0.00 7.07 10.43 0.18 -2.62 116.55 127.98 1g3i n ASP 81 Ca 0.07 -1.68 0.00 0.00 2.57 0.00 0.00 54.79 55.75 1g3i n ASP 81 Cb 0.54 -0.19 0.00 0.00 1.84 0.00 0.00 41.12 43.31 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 -0.24 0.00 0.80 1.24 8.01 0.14 -4.53 117.44 122.86 1g3i n TRP 82 Ca 0.00 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.32 1g3i n TRP 82 Cb 0.09 0.00 0.32 0.00 -2.01 0.00 0.00 31.31 29.72 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 -1.83 0.14 -1.56 -0.99 1.74 -1.08 -4.69 116.66 108.38 1g3i n ARG 83 Ca 0.00 0.06 -0.34 0.00 -0.77 0.00 0.00 57.85 56.80 1g3i n ARG 83 Cb 0.35 -1.61 0.08 0.00 -1.02 0.00 0.00 32.46 30.26 1g3i n ARG 83 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1g3i s THR 84 N -3.07 2.56 -0.46 0.55 -4.23 -1.17 -4.86 115.64 104.95 1g3i s THR 84 Ca 0.10 0.28 0.19 0.00 -1.18 0.00 0.00 61.69 61.07 1g3i s THR 84 Cb 0.16 -2.85 0.19 0.00 1.34 0.00 0.00 72.50 71.33 1g3i s THR 84 CO 0.66 -0.14 1.57 0.47 -0.54 0.00 0.00 174.62 176.63 1g3i n ASP 85 N -2.54 0.47 0.00 3.99 10.43 -1.26 -3.52 116.55 124.12 1g3i n ASP 85 Ca 0.13 0.68 0.00 0.00 2.57 0.00 0.00 54.79 58.16 1g3i n ASP 85 Cb 0.51 -0.75 0.00 0.00 1.84 0.00 0.00 41.12 42.71 1g3i n ASP 85 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1g3i n ARG 86 N -2.09 0.00 0.00 -1.24 5.12 -1.26 -5.09 116.66 112.10 1g3i n ARG 86 Ca 0.00 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1g3i n ARG 86 Cb 0.10 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 1g3i n ARG 86 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1g3i n ALA 87 N -0.89 0.00 0.00 7.54 0.00 -1.23 -5.06 120.51 120.86 1g3i n ALA 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1g3i n ALA 87 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 -1.26 -4.76 117.00 110.98 1g3i n LEU 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1g3i n LEU 88 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1g3i n LEU 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.39 177.93 1g3i n ARG 89 N 0.00 0.00 -2.72 1.96 1.74 -1.26 -4.56 116.66 111.82 1g3i n ARG 89 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1g3i n ARG 89 Cb 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.53 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 0.00 1.39 -0.23 5.56 -0.00 -1.26 -4.98 118.16 118.64 1g3i n LYS 90 Ca 0.00 -2.40 -0.09 0.00 -0.00 0.00 0.00 58.31 55.82 1g3i n LYS 90 Cb 0.00 -0.58 -0.01 0.00 -0.00 0.00 0.00 35.03 34.44 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 -0.78 0.15 -3.64 -5.58 4.32 -1.25 -4.61 117.00 105.61 1g3i n LEU 91 Ca -0.02 0.16 -0.41 0.00 -0.02 0.00 0.00 56.01 55.71 1g3i n LEU 91 Cb 0.84 -0.12 -0.01 0.00 -1.62 0.00 0.00 43.42 42.52 1g3i n LEU 91 CO 0.01 -0.13 2.63 -0.62 -1.22 0.00 0.00 177.39 178.07 1g3i n GLU 92 N 0.50 3.44 -3.55 3.23 -0.58 -1.26 -3.61 120.64 118.81 1g3i n GLU 92 Ca 0.04 -2.84 -0.07 0.00 -0.42 0.00 0.00 57.16 53.86 1g3i n GLU 92 Cb -0.01 -3.01 -0.02 0.00 -0.57 0.00 0.00 31.44 27.83 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 1.75 -1.81 0.15 0.62 0.00 -1.26 -2.12 121.76 119.10 1g3i s ALA 93 Ca 0.51 0.86 0.06 0.00 0.00 0.00 0.00 51.96 53.40 1g3i s ALA 93 Cb 0.14 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1g3i s ALA 93 CO -0.06 -0.75 -0.14 -1.64 0.00 0.00 0.00 175.76 173.17 1g3i s MET 94 N -3.12 1.13 0.16 0.00 -1.94 0.53 -0.95 119.30 115.10 1g3i s MET 94 Ca 0.06 -1.37 0.09 0.00 -1.71 0.00 0.00 55.69 52.76 1g3i s MET 94 Cb -0.01 -0.96 -0.04 0.00 2.01 0.00 0.00 34.83 35.83 1g3i s MET 94 CO -0.07 0.17 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.41 1g3i s LEU 95 N -2.79 2.43 -0.24 -0.03 1.43 0.21 -1.08 118.68 118.60 1g3i s LEU 95 Ca 0.14 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1g3i s LEU 95 Cb -0.03 -0.86 0.07 0.00 0.03 0.00 0.00 46.19 45.41 1g3i s LEU 95 CO 0.04 -0.02 0.01 -0.63 0.23 0.00 0.00 176.35 175.98 1g3i s ILE 96 N -1.98 1.06 -0.00 -0.59 1.01 0.17 -1.40 121.20 119.46 1g3i s ILE 96 Ca 0.16 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1g3i s ILE 96 Cb -0.06 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1g3i s ILE 96 CO 0.07 -0.28 -0.11 0.68 0.00 0.00 0.00 174.94 175.30 1g3i s VAL 97 N 1.59 3.33 -0.27 2.92 -7.23 -0.76 0.57 120.40 120.55 1g3i s VAL 97 Ca -0.00 -0.85 -0.25 0.00 -1.81 0.00 0.00 61.98 59.07 1g3i s VAL 97 Cb -0.18 -2.41 0.08 0.00 0.56 0.00 0.00 36.38 34.43 1g3i s VAL 97 CO -0.11 0.43 0.76 0.00 -0.31 0.00 0.00 175.10 175.87 1g3i s ALA 98 N -0.92 -1.80 0.25 1.32 0.00 0.11 0.90 121.76 121.62 1g3i s ALA 98 Ca 0.15 2.01 0.02 0.00 0.00 0.00 0.00 51.96 54.13 1g3i s ALA 98 Cb -0.11 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1g3i s ALA 98 CO 0.05 -0.33 0.06 -0.40 0.00 0.00 0.00 175.76 175.14 1g3i n ASP 99 N 2.62 1.61 -0.30 0.00 3.85 -0.23 0.77 116.55 124.87 1g3i n ASP 99 Ca -0.14 -2.24 0.10 0.00 -0.71 0.00 0.00 54.79 51.81 1g3i n ASP 99 Cb 0.55 0.47 0.23 0.00 -1.35 0.00 0.00 41.12 41.02 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 0.07 0.05 0.11 4.11 -1.93 -3.00 114.58 113.99 1g3i h GLU 100 Ca -0.20 -0.00 -0.34 0.00 0.07 0.00 0.00 59.36 58.89 1g3i h GLU 100 Cb 0.70 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1g3i h GLU 100 CO 0.32 0.05 -1.97 0.36 0.07 0.00 0.00 179.01 177.84 1g3i n LYS 101 N -5.40 0.69 -4.64 1.06 2.85 -1.26 -4.95 118.16 106.50 1g3i n LYS 101 Ca 0.19 0.23 -0.29 0.00 -1.05 0.00 0.00 58.31 57.40 1g3i n LYS 101 Cb 0.63 -1.70 -0.10 0.00 -0.65 0.00 0.00 35.03 33.20 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 -2.56 2.00 -0.18 -1.58 0.41 -1.14 -5.14 118.70 110.51 1g3i s GLU 102 Ca -0.15 -2.16 -0.05 0.00 -0.41 0.00 0.00 54.97 52.20 1g3i s GLU 102 Cb 0.07 -1.59 0.09 0.00 -1.78 0.00 0.00 34.13 30.92 1g3i s GLU 102 CO 0.78 -0.11 0.35 0.45 -0.49 0.00 0.00 175.26 176.24 1g3i s SER 103 N -3.73 0.11 0.32 -0.19 0.15 -1.26 -1.07 113.70 108.02 1g3i s SER 103 Ca 0.29 0.68 0.03 0.00 0.70 0.00 0.00 55.95 57.66 1g3i s SER 103 Cb 0.08 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 65.39 1g3i s SER 103 CO 0.15 -0.25 0.11 -0.76 1.20 0.00 0.00 173.24 173.69 1g3i s LEU 104 N 2.52 1.84 -0.05 3.45 1.02 0.26 -4.29 118.68 123.43 1g3i s LEU 104 Ca 0.02 -1.49 -0.02 0.00 0.02 0.00 0.00 54.13 52.65 1g3i s LEU 104 Cb -0.13 -0.05 0.04 0.00 0.02 0.00 0.00 46.19 46.07 1g3i s LEU 104 CO -0.12 -0.79 0.09 -0.51 0.02 0.00 0.00 176.35 175.05 1g3i s ILE 105 N -3.50 -0.15 0.02 -0.59 2.07 -0.37 -1.82 121.20 116.86 1g3i s ILE 105 Ca 0.34 0.37 0.07 0.00 -1.41 0.00 0.00 60.65 60.02 1g3i s ILE 105 Cb 0.06 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.43 1g3i s ILE 105 CO 0.15 0.15 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.51 1g3i s ILE 106 N 2.04 2.62 0.32 2.00 1.01 -0.50 -0.73 121.20 127.96 1g3i s ILE 106 Ca 0.02 -1.16 0.09 0.00 0.00 0.00 0.00 60.65 59.60 1g3i s ILE 106 Cb -0.12 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1g3i s ILE 106 CO -0.04 0.40 0.02 0.42 0.00 0.00 0.00 174.94 175.74 1g3i s THR 107 N -0.85 2.91 0.03 2.92 -4.23 -1.06 0.64 115.64 116.00 1g3i s THR 107 Ca 0.13 -1.92 0.30 0.00 -1.18 0.00 0.00 61.69 59.02 1g3i s THR 107 Cb -0.10 -2.82 0.35 0.00 1.34 0.00 0.00 72.50 71.27 1g3i s THR 107 CO 0.03 -0.25 1.90 1.23 -0.54 0.00 0.00 174.62 176.99 1g3i h GLY 108 N 1.80 0.00 2.00 3.99 0.00 -1.10 -2.65 103.07 107.10 1g3i h GLY 108 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1g3i h GLY 108 CO 0.64 0.00 0.00 0.16 0.00 0.00 0.00 176.54 177.34 1g3i h ILE 109 N 0.00 0.00 0.00 2.60 3.07 -1.82 -3.31 117.51 118.05 1g3i h ILE 109 Ca -0.00 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1g3i h ILE 109 Cb 0.64 1.47 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1g3i h ILE 109 CO 0.01 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.72 1g3i n GLY 110 N 0.68 0.86 3.32 0.16 0.00 -1.00 -4.86 105.19 104.36 1g3i n GLY 110 Ca 0.03 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.83 -0.36 0.11 1.61 3.84 -1.26 -4.78 116.67 114.02 1g3i s ASP 111 Ca 0.00 0.41 0.04 0.00 -0.00 0.00 0.00 52.55 53.00 1g3i s ASP 111 Cb 0.00 0.50 -0.04 0.00 -1.38 0.00 0.00 42.92 42.00 1g3i s ASP 111 CO 0.00 -0.42 0.07 0.68 -0.00 0.00 0.00 175.17 175.50 1g3i s VAL 112 N -0.95 4.33 -0.05 2.11 -7.23 -1.26 -2.57 120.40 114.78 1g3i s VAL 112 Ca -0.10 -0.96 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1g3i s VAL 112 Cb -0.04 -3.12 0.02 0.00 0.56 0.00 0.00 36.38 33.80 1g3i s VAL 112 CO 0.05 0.04 0.14 -0.69 -0.31 0.00 0.00 175.10 174.32 1g3i s VAL 113 N -1.49 -0.02 0.17 1.32 1.01 0.09 -4.97 120.40 116.51 1g3i s VAL 113 Ca 0.29 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 1g3i s VAL 113 Cb -0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 1g3i s VAL 113 CO 0.21 0.02 0.40 -1.10 0.00 0.00 0.00 175.10 174.63 1g3i s GLN 114 N 0.41 3.60 1.22 2.72 -0.21 -1.26 -1.24 119.66 124.90 1g3i s GLN 114 Ca -0.03 -0.13 -0.18 0.00 0.02 0.00 0.00 55.36 55.04 1g3i s GLN 114 Cb -0.04 -2.83 0.29 0.00 1.00 0.00 0.00 33.01 31.43 1g3i s GLN 114 CO -0.02 0.43 1.04 -2.14 -2.12 0.00 0.00 175.29 172.49 1g3i s PRO 115 N -2.88 -1.32 0.71 2.91 0.02 -1.26 -4.99 135.00 128.19 1g3i s PRO 115 Ca 0.41 0.26 -0.05 0.00 0.02 0.00 0.00 61.00 61.65 1g3i s PRO 115 Cb -0.12 -1.56 0.09 0.00 0.02 0.00 0.00 34.50 32.94 1g3i s PRO 115 CO 0.26 -3.85 1.00 -1.83 -0.33 0.00 0.00 177.00 172.26 1g3i s GLU 116 N -5.05 1.89 0.33 5.54 1.03 -1.26 -4.83 118.70 116.35 1g3i s GLU 116 Ca 0.69 -0.64 0.18 0.00 0.03 0.00 0.00 54.97 55.22 1g3i s GLU 116 Cb -0.15 -2.24 1.18 0.00 -0.80 0.00 0.00 34.13 32.12 1g3i s GLU 116 CO 0.59 -1.36 1.42 0.39 -1.33 0.00 0.00 175.26 174.96 1g3i n GLU 117 N -2.90 -0.06 0.00 -4.83 -0.58 -1.26 0.77 120.64 111.78 1g3i n GLU 117 Ca 0.11 1.25 0.02 0.00 -0.42 0.00 0.00 57.16 58.12 1g3i n GLU 117 Cb 0.60 -2.23 0.12 0.00 -0.57 0.00 0.00 31.44 29.36 1g3i n GLU 117 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1g3i n ASP 118 N -5.05 0.00 -0.90 1.62 5.68 -1.26 -4.91 116.55 111.72 1g3i n ASP 118 Ca 0.33 -0.73 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 1g3i n ASP 118 Cb 1.13 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.11 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 -0.65 -0.27 -3.65 0.11 6.02 0.23 -4.79 117.38 114.39 1g3i n GLN 119 Ca 0.03 0.29 -0.08 0.00 -0.01 0.00 0.00 57.00 57.23 1g3i n GLN 119 Cb 0.01 -0.22 -0.07 0.00 1.02 0.00 0.00 30.24 30.98 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 -0.07 -0.00 0.04 5.09 1.01 -1.26 -3.95 121.20 122.05 1g3i s ILE 120 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.71 1g3i s ILE 120 Cb 0.00 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1g3i s ILE 120 CO 0.00 0.00 -0.14 -0.76 0.00 0.00 0.00 174.94 174.04 1g3i s LEU 121 N 1.53 2.17 -0.16 2.97 1.43 -0.35 -4.59 118.68 121.69 1g3i s LEU 121 Ca -0.09 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 1g3i s LEU 121 Cb -0.05 -0.60 0.05 0.00 0.03 0.00 0.00 46.19 45.62 1g3i s LEU 121 CO -0.18 0.03 0.40 0.00 0.23 0.00 0.00 176.35 176.83 1g3i s ALA 122 N -0.86 -0.99 0.18 4.21 0.00 -1.26 0.52 121.76 123.56 1g3i s ALA 122 Ca 0.01 1.31 0.02 0.00 0.00 0.00 0.00 51.96 53.31 1g3i s ALA 122 Cb -0.08 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1g3i s ALA 122 CO 0.01 -0.23 -0.01 0.96 0.00 0.00 0.00 175.76 176.49 1g3i s ILE 123 N 0.85 0.80 0.00 0.00 -4.36 0.13 -4.78 121.20 113.84 1g3i s ILE 123 Ca -0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1g3i s ILE 123 Cb -0.06 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.54 1g3i s ILE 123 CO -0.06 -0.50 0.00 0.61 0.24 0.00 0.00 174.94 175.23 1g3i n GLY 124 N -0.26 1.43 0.12 6.27 0.00 -1.26 -1.11 105.19 110.39 1g3i n GLY 124 Ca -0.07 -2.16 -0.11 0.00 0.00 0.00 0.00 46.02 43.69 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 0.29 -0.45 1.61 4.64 -0.88 -2.68 113.55 116.08 1g3i h SER 125 Ca 0.00 -0.17 -0.17 0.00 -0.47 0.00 0.00 61.79 60.98 1g3i h SER 125 Cb 0.00 -0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 61.91 1g3i h SER 125 CO 0.00 0.38 0.22 0.61 -0.87 0.00 0.00 176.83 177.17 1g3i n GLY 126 N -0.70 2.95 0.00 -0.77 0.00 -0.98 -4.59 105.19 101.10 1g3i n GLY 126 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.10 -2.65 0.43 -0.02 0.00 -1.01 -2.12 105.19 99.71 1g3i n GLY 127 Ca 0.26 0.01 0.37 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.44 0.22 0.00 1.61 3.02 -1.26 -0.13 115.26 117.27 1g3i n ASN 128 Ca 0.00 1.35 0.00 0.00 -0.03 0.00 0.00 54.58 55.90 1g3i n ASN 128 Cb 0.00 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 1g3i n ASN 128 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1g3i n TYR 129 N -4.67 0.00 -0.48 3.10 0.53 -1.16 0.11 117.16 114.59 1g3i n TYR 129 Ca 0.38 0.00 0.40 0.00 -1.02 0.00 0.00 57.90 57.66 1g3i n TYR 129 Cb 1.46 -0.39 0.71 0.00 -1.03 0.00 0.00 39.34 40.09 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 -2.00 3.10 0.26 -0.72 0.00 -0.25 0.21 119.26 119.85 1g3i h ALA 130 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1g3i h ALA 130 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1g3i h ALA 130 CO 0.00 -1.61 -0.12 1.25 0.00 0.00 0.00 179.25 178.76 1g3i h LEU 131 N 0.07 -0.29 -0.91 0.00 5.85 -0.02 -0.65 115.31 119.37 1g3i h LEU 131 Ca 0.77 0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.70 1g3i h LEU 131 Cb 2.72 0.08 -0.17 0.00 0.37 0.00 0.00 40.66 43.66 1g3i h LEU 131 CO -0.19 -0.14 -0.16 -1.20 -0.34 0.00 0.00 178.44 176.41 1g3i n SER 132 N -3.32 -0.27 0.19 1.25 7.64 0.30 0.17 113.62 119.58 1g3i n SER 132 Ca -0.04 1.55 -0.10 0.00 1.01 0.00 0.00 58.87 61.29 1g3i n SER 132 Cb 0.14 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 1g3i n SER 132 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g3i h ALA 133 N 1.81 -1.03 -0.57 -0.43 0.00 -1.03 -1.39 119.26 116.63 1g3i h ALA 133 Ca 0.47 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.38 1g3i h ALA 133 Cb 0.79 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 1g3i h ALA 133 CO -0.91 -1.02 -0.18 0.00 0.00 0.00 0.00 179.25 177.14 1g3i h ALA 134 N -1.44 0.30 -0.95 0.00 0.00 0.12 0.28 119.26 117.58 1g3i h ALA 134 Ca -0.04 0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.22 1g3i h ALA 134 Cb 0.47 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 1g3i h ALA 134 CO 0.01 -0.48 0.56 0.00 0.00 0.00 0.00 179.25 179.35 1g3i h ARG 135 N -0.04 0.80 0.21 0.00 3.08 -0.22 0.39 114.38 118.61 1g3i h ARG 135 Ca 0.27 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1g3i h ARG 135 Cb 0.45 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1g3i h ARG 135 CO -0.60 0.53 -0.10 0.00 -1.07 0.00 0.00 179.97 178.73 1g3i h ALA 136 N 1.56 -0.28 0.00 0.04 0.00 0.60 -2.19 119.26 118.99 1g3i h ALA 136 Ca 0.50 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1g3i h ALA 136 Cb 0.62 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1g3i h ALA 136 CO -0.32 -0.49 -0.02 -0.07 0.00 0.00 0.00 179.25 178.36 1g3i h LEU 137 N -0.62 0.00 0.17 0.00 4.07 -0.02 -0.47 115.31 118.44 1g3i h LEU 137 Ca -0.03 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.60 1g3i h LEU 137 Cb 0.45 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.20 1g3i h LEU 137 CO 0.05 0.02 -1.64 0.58 -1.08 0.00 0.00 178.44 176.36 1g3i h VAL 138 N 0.00 1.06 0.00 1.22 2.07 -0.19 -3.25 116.25 117.16 1g3i h VAL 138 Ca -0.00 -2.64 -0.17 0.00 0.82 0.00 0.00 66.70 64.72 1g3i h VAL 138 Cb 0.26 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1g3i h VAL 138 CO 0.00 0.84 -0.80 -0.33 0.02 0.00 0.00 177.57 177.30 1g3i h GLU 139 N 0.10 0.00 -0.45 1.57 5.08 -1.05 -3.36 114.58 116.47 1g3i h GLU 139 Ca -0.30 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.76 1g3i h GLU 139 Cb 2.08 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 31.12 1g3i h GLU 139 CO 0.19 0.80 -0.42 0.09 -1.00 0.00 0.00 179.01 178.67 1g3i n ASN 140 N -3.55 3.55 -3.65 1.42 3.02 -0.21 -5.04 115.26 110.80 1g3i n ASN 140 Ca -0.00 -3.81 -0.02 0.00 -0.03 0.00 0.00 54.58 50.71 1g3i n ASN 140 Cb 0.78 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 39.37 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 -3.88 0.00 -0.21 3.41 -1.32 -1.23 -4.95 115.64 107.47 1g3i s THR 141 Ca 0.47 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.91 1g3i s THR 141 Cb 0.41 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 70.34 1g3i s THR 141 CO -0.01 0.00 2.94 -0.62 -2.21 0.00 0.00 174.62 174.72 1g3i n GLU 142 N 1.31 2.03 -2.99 7.08 -0.58 -1.26 -4.66 120.64 121.56 1g3i n GLU 142 Ca -0.08 -1.49 -0.33 0.00 -0.42 0.00 0.00 57.16 54.85 1g3i n GLU 142 Cb 0.57 -1.91 -0.07 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.06 4.03 0.43 -4.62 1.43 -1.26 -5.03 118.68 112.60 1g3i s LEU 143 Ca 0.53 1.48 -0.26 0.00 -1.03 0.00 0.00 54.13 54.85 1g3i s LEU 143 Cb 0.30 -4.26 -0.09 0.00 0.03 0.00 0.00 46.19 42.17 1g3i s LEU 143 CO -0.09 -0.26 1.36 -0.24 0.23 0.00 0.00 176.35 177.35 1g3i n SER 144 N -0.41 2.99 0.24 2.29 2.88 -1.26 -4.82 113.62 115.52 1g3i n SER 144 Ca 0.05 1.12 -0.17 0.00 -1.33 0.00 0.00 58.87 58.54 1g3i n SER 144 Cb 0.53 -1.55 -0.09 0.00 -0.75 0.00 0.00 64.21 62.35 1g3i n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g3i h ALA 145 N 2.24 -0.93 -0.56 -1.46 0.00 -1.94 0.52 119.26 117.14 1g3i h ALA 145 Ca -0.49 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.38 1g3i h ALA 145 Cb 1.28 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 19.61 1g3i h ALA 145 CO 0.61 -1.07 -0.02 1.25 0.00 0.00 0.00 179.25 180.02 1g3i h HIS 146 N -0.85 -0.07 -0.68 0.00 -0.00 -1.91 -1.18 115.15 110.46 1g3i h HIS 146 Ca -0.03 0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.42 1g3i h HIS 146 Cb 0.76 0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 28.25 1g3i h HIS 146 CO -0.25 -0.15 0.42 0.93 -0.00 0.00 0.00 177.93 178.87 1g3i h GLU 147 N 0.10 0.77 -0.61 5.26 5.08 -1.73 -1.88 114.58 121.58 1g3i h GLU 147 Ca 0.28 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1g3i h GLU 147 Cb 0.44 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1g3i h GLU 147 CO -0.49 0.51 0.29 0.82 -1.00 0.00 0.00 179.01 179.15 1g3i h ILE 148 N 0.80 0.89 0.39 3.13 2.04 0.33 0.24 117.51 125.34 1g3i h ILE 148 Ca 0.29 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 1g3i h ILE 148 Cb 0.07 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1g3i h ILE 148 CO -0.13 0.10 -0.42 0.58 0.00 0.00 0.00 178.15 178.27 1g3i h VAL 149 N 0.54 0.15 -0.56 1.67 2.07 -1.06 0.23 116.25 119.29 1g3i h VAL 149 Ca 0.28 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.89 1g3i h VAL 149 Cb 0.25 0.15 -0.11 0.00 -1.52 0.00 0.00 31.29 30.07 1g3i h VAL 149 CO -0.22 0.00 -0.41 -0.08 0.02 0.00 0.00 177.57 176.88 1g3i h GLU 150 N -0.84 -0.21 0.15 1.57 4.22 -0.64 -0.14 114.58 118.69 1g3i h GLU 150 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1g3i h GLU 150 Cb 0.76 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1g3i h GLU 150 CO -0.08 -0.14 -0.38 0.87 -2.18 0.00 0.00 179.01 177.10 1g3i h LYS 151 N -0.22 -0.57 -0.37 1.92 1.79 -0.00 -2.99 116.57 116.12 1g3i h LYS 151 Ca 0.19 0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.71 1g3i h LYS 151 Cb 0.56 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 1g3i h LYS 151 CO -0.67 -0.38 0.25 0.77 -1.08 0.00 0.00 179.45 178.34 1g3i h SER 152 N -0.59 0.39 -0.01 0.86 0.02 -0.18 -2.09 113.55 111.95 1g3i h SER 152 Ca -0.01 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1g3i h SER 152 Cb 0.57 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1g3i h SER 152 CO -0.17 0.27 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.68 1g3i h LEU 153 N 0.45 -0.12 0.57 5.07 3.38 -0.90 -0.28 115.31 123.48 1g3i h LEU 153 Ca 0.14 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1g3i h LEU 153 Cb 0.02 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1g3i h LEU 153 CO -0.03 -0.06 -0.46 -0.09 0.09 0.00 0.00 178.44 177.89 1g3i h ARG 154 N -0.07 -0.96 -0.95 1.13 2.43 -1.26 0.64 114.38 115.33 1g3i h ARG 154 Ca 0.02 0.07 0.28 0.00 -0.81 0.00 0.00 59.98 59.54 1g3i h ARG 154 Cb 0.10 0.22 -0.17 0.00 -0.42 0.00 0.00 29.97 29.70 1g3i h ARG 154 CO -0.05 -0.64 0.17 0.82 -1.51 0.00 0.00 179.97 178.76 1g3i h ILE 155 N -1.00 0.11 0.27 1.20 2.04 -1.24 0.29 117.51 119.18 1g3i h ILE 155 Ca -0.07 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1g3i h ILE 155 Cb 0.84 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1g3i h ILE 155 CO 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 178.15 178.04 1g3i h ALA 156 N 1.92 -0.36 -0.47 1.87 0.00 -0.35 -3.10 119.26 118.77 1g3i h ALA 156 Ca 0.62 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.47 1g3i h ALA 156 Cb 1.35 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1g3i h ALA 156 CO -0.81 -0.47 0.59 0.78 0.00 0.00 0.00 179.25 179.34 1g3i h GLY 157 N -0.82 0.00 1.63 0.00 0.00 0.37 0.65 103.07 104.90 1g3i h GLY 157 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1g3i h GLY 157 CO 0.06 0.00 -0.31 -0.55 0.00 0.00 0.00 176.54 175.74 1g3i h ASP 158 N 0.00 0.00 0.00 0.19 3.45 -0.80 -3.33 116.42 115.93 1g3i h ASP 158 Ca 0.22 -0.06 -0.18 0.00 0.43 0.00 0.00 57.03 57.44 1g3i h ASP 158 Cb 1.40 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.14 1g3i h ASP 158 CO -0.00 0.03 -1.99 -0.38 -1.57 0.00 0.00 179.24 175.33 1g3i n ILE 159 N -2.46 0.66 -3.69 0.35 5.41 0.21 -4.95 119.36 114.89 1g3i n ILE 159 Ca 0.04 -0.57 -0.36 0.00 1.00 0.00 0.00 62.75 62.86 1g3i n ILE 159 Cb 0.47 -0.30 -0.08 0.00 -0.71 0.00 0.00 39.64 39.03 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 3.39 0.62 -0.75 0.00 0.24 -1.26 -2.82 118.33 117.76 1g3i n VAL 161 Ca -0.15 0.01 0.08 0.00 -2.04 0.00 0.00 64.34 62.24 1g3i n VAL 161 Cb 0.52 -0.81 0.33 0.00 -1.47 0.00 0.00 33.84 32.41 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 -2.01 1.41 -4.03 6.34 3.72 -1.26 -4.90 117.46 116.72 1g3i n PHE 162 Ca 0.04 -0.70 -0.17 0.00 -0.05 0.00 0.00 57.45 56.58 1g3i n PHE 162 Cb 0.31 -0.31 -0.16 0.00 -0.94 0.00 0.00 39.48 38.39 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 -2.26 0.29 0.14 4.37 2.01 -1.13 -2.76 115.64 116.31 1g3i s THR 163 Ca 0.47 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.44 1g3i s THR 163 Cb 0.34 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.54 1g3i s THR 163 CO 0.17 0.14 0.15 -0.46 -0.69 0.00 0.00 174.62 173.93 1g3i n ASN 164 N 3.69 1.02 -0.36 3.53 2.04 -1.26 -4.64 115.26 119.27 1g3i n ASN 164 Ca -0.22 -1.44 0.07 0.00 -0.44 0.00 0.00 54.58 52.56 1g3i n ASN 164 Cb 0.53 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.73 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 -1.06 0.00 -2.41 5.53 -2.24 -1.26 -4.63 114.28 108.21 1g3i n THR 165 Ca 0.02 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 1g3i n THR 165 Cb 0.15 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.76 6.02 0.56 3.42 3.84 -1.26 -4.97 114.94 120.79 1g3i s ASN 166 Ca 0.13 -0.03 0.02 0.00 0.21 0.00 0.00 52.86 53.19 1g3i s ASN 166 Cb 0.12 -2.55 0.05 0.00 -0.55 0.00 0.00 41.25 38.32 1g3i s ASN 166 CO 0.36 -1.86 0.78 -0.36 -2.79 0.00 0.00 177.10 173.24 1g3i s PHE 167 N 6.36 2.60 -0.21 0.43 2.99 -1.26 -2.38 117.98 126.51 1g3i s PHE 167 Ca 0.47 -0.13 -0.04 0.00 0.00 0.00 0.00 56.93 57.23 1g3i s PHE 167 Cb -0.10 -2.72 0.10 0.00 0.00 0.00 0.00 43.02 40.31 1g3i s PHE 167 CO 0.20 -0.96 0.29 0.99 -0.00 0.00 0.00 175.22 175.74 1g3i s THR 168 N -2.77 -0.45 0.01 0.64 2.01 -0.90 -4.95 115.64 109.24 1g3i s THR 168 Ca 0.59 -0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.61 1g3i s THR 168 Cb -0.09 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 1g3i s THR 168 CO 0.39 -0.13 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.35 1g3i s ILE 169 N 2.43 1.65 -0.05 1.82 1.01 -1.26 -2.79 121.20 124.01 1g3i s ILE 169 Ca 0.08 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1g3i s ILE 169 Cb -0.15 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.94 1g3i s ILE 169 CO -0.13 0.35 -0.06 -1.61 0.00 0.00 0.00 174.94 173.49 1g3i s GLU 170 N -0.80 0.97 0.28 2.79 0.41 -0.82 -5.03 118.70 116.50 1g3i s GLU 170 Ca 0.08 -0.15 0.11 0.00 -0.41 0.00 0.00 54.97 54.60 1g3i s GLU 170 Cb -0.08 -0.94 -0.05 0.00 -1.78 0.00 0.00 34.13 31.28 1g3i s GLU 170 CO 0.00 -0.07 -0.12 -1.83 -0.49 0.00 0.00 175.26 172.75 1g3i s GLU 171 N 0.91 1.91 -0.47 1.61 -1.05 -1.26 -0.75 118.70 119.59 1g3i s GLU 171 Ca -0.11 -1.65 -0.05 0.00 -0.15 0.00 0.00 54.97 53.00 1g3i s GLU 171 Cb -0.14 -1.91 0.12 0.00 -0.44 0.00 0.00 34.13 31.76 1g3i s GLU 171 CO 0.00 0.33 0.30 -0.51 0.95 0.00 0.00 175.26 176.34 1g3i s LEU 172 N -3.57 5.45 0.00 1.83 1.43 0.29 -4.97 118.68 119.15 1g3i s LEU 172 Ca 0.31 -2.12 0.00 0.00 -1.03 0.00 0.00 54.13 51.29 1g3i s LEU 172 Cb -0.05 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1g3i s LEU 172 CO 0.17 -0.58 0.44 -0.81 0.23 0.00 0.00 176.35 175.81