#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 -0.31 -0.09 12.58 2.01 -1.26 0.43 115.64 129.00 1g3i s THR 2 Ca 0.00 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.21 1g3i s THR 2 Cb 0.00 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 72.09 1g3i s THR 2 CO 0.00 0.03 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.24 1g3i s ILE 3 N 2.32 1.05 0.05 1.82 1.01 0.53 -2.32 121.20 125.67 1g3i s ILE 3 Ca 0.04 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.35 1g3i s ILE 3 Cb -0.13 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1g3i s ILE 3 CO -0.08 0.36 -0.10 0.54 0.00 0.00 0.00 174.94 175.66 1g3i s VAL 4 N 1.21 0.72 -0.07 2.92 0.11 0.19 0.24 120.40 125.71 1g3i s VAL 4 Ca -0.04 -1.16 -0.03 0.00 -2.93 0.00 0.00 61.98 57.81 1g3i s VAL 4 Cb -0.14 -0.76 0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1g3i s VAL 4 CO -0.03 -0.34 0.15 -0.55 -3.33 0.00 0.00 175.10 171.00 1g3i s SER 5 N -1.65 0.12 0.16 3.54 0.15 0.97 -0.52 113.70 116.46 1g3i s SER 5 Ca -0.07 0.32 0.11 0.00 0.70 0.00 0.00 55.95 57.01 1g3i s SER 5 Cb -0.10 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 1g3i s SER 5 CO 0.01 -0.18 -0.25 -0.69 1.20 0.00 0.00 173.24 173.33 1g3i s VAL 6 N 1.49 2.32 -0.06 4.45 1.01 -0.81 -1.63 120.40 127.18 1g3i s VAL 6 Ca -0.06 -1.86 -0.02 0.00 0.00 0.00 0.00 61.98 60.04 1g3i s VAL 6 Cb -0.12 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.24 1g3i s VAL 6 CO -0.06 0.01 0.12 -0.60 0.00 0.00 0.00 175.10 174.56 1g3i s ARG 7 N -2.31 0.04 -0.29 2.72 3.52 -1.25 -0.94 118.95 120.44 1g3i s ARG 7 Ca 0.17 0.36 -0.18 0.00 -0.13 0.00 0.00 55.73 55.95 1g3i s ARG 7 Cb -0.09 -0.23 0.13 0.00 -1.56 0.00 0.00 34.95 33.20 1g3i s ARG 7 CO 0.08 -0.20 0.96 -0.98 -0.81 0.00 0.00 175.30 174.35 1g3i s ARG 8 N 1.38 0.44 -0.30 5.12 1.70 -0.64 -4.89 118.95 121.75 1g3i s ARG 8 Ca -0.07 0.71 -0.00 0.00 -0.47 0.00 0.00 55.73 55.90 1g3i s ARG 8 Cb -0.12 0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 1g3i s ARG 8 CO -0.05 -0.08 0.26 0.09 -1.08 0.00 0.00 175.30 174.43 1g3i n ASN 9 N 3.44 -2.14 -1.25 -2.89 4.13 -1.26 -3.47 115.26 111.81 1g3i n ASN 9 Ca -0.17 -0.15 -0.16 0.00 1.68 0.00 0.00 54.58 55.77 1g3i n ASN 9 Cb 0.57 -1.66 -0.07 0.00 -1.54 0.00 0.00 39.78 37.09 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 -1.01 1.57 3.29 7.41 0.00 -1.26 -4.95 105.19 110.22 1g3i n GLY 10 Ca -0.06 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.38 2.51 -0.05 1.61 -1.52 -1.23 -4.86 119.66 112.75 1g3i s GLN 11 Ca 0.00 -0.89 0.03 0.00 -1.95 0.00 0.00 55.36 52.55 1g3i s GLN 11 Cb 0.00 -2.17 0.00 0.00 -0.22 0.00 0.00 33.01 30.63 1g3i s GLN 11 CO 0.00 0.41 -0.13 0.08 -0.25 0.00 0.00 175.29 175.40 1g3i s VAL 12 N -0.23 1.17 -0.01 1.09 1.01 -1.26 -1.62 120.40 120.54 1g3i s VAL 12 Ca -0.01 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1g3i s VAL 12 Cb -0.13 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1g3i s VAL 12 CO 0.03 0.35 -0.02 -0.69 0.00 0.00 0.00 175.10 174.77 1g3i s VAL 13 N 0.30 0.20 -0.15 2.92 1.01 -0.12 0.01 120.40 124.57 1g3i s VAL 13 Ca -0.07 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1g3i s VAL 13 Cb -0.12 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1g3i s VAL 13 CO 0.02 0.08 -0.21 -0.69 0.00 0.00 0.00 175.10 174.30 1g3i s VAL 14 N 0.22 2.03 0.05 2.92 1.01 -0.42 -1.92 120.40 124.30 1g3i s VAL 14 Ca -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1g3i s VAL 14 Cb -0.04 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1g3i s VAL 14 CO -0.01 0.54 -0.08 -0.83 0.00 0.00 0.00 175.10 174.73 1g3i s GLY 15 N 0.94 0.55 0.17 4.51 0.00 0.32 -2.16 107.32 111.66 1g3i s GLY 15 Ca -0.04 -0.87 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 1g3i s GLY 15 CO -0.05 -0.93 0.47 -0.32 0.00 0.00 0.00 173.10 172.27 1g3i s GLY 16 N -1.85 -0.08 0.00 0.20 0.00 -1.05 -0.63 107.32 103.91 1g3i s GLY 16 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.42 1g3i s GLY 16 CO -0.01 -0.33 0.00 2.09 0.00 0.00 0.00 173.10 174.86 1g3i n ASP 17 N -0.30 0.00 -0.51 1.64 5.75 -0.98 -1.93 116.55 120.22 1g3i n ASP 17 Ca -0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.67 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 3.68 0.83 3.56 6.12 0.00 -0.94 -4.06 105.19 114.38 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 3.61 -0.63 1.61 0.74 -1.25 -0.81 119.66 122.92 1g3i s GLN 19 Ca 0.00 -0.08 -0.17 0.00 0.05 0.00 0.00 55.36 55.16 1g3i s GLN 19 Cb 0.00 -3.83 0.14 0.00 1.10 0.00 0.00 33.01 30.42 1g3i s GLN 19 CO -0.00 -0.73 0.66 0.08 -0.55 0.00 0.00 175.29 174.75 1g3i s VAL 20 N 2.60 5.11 0.30 1.34 1.01 0.23 -4.78 120.40 126.21 1g3i s VAL 20 Ca 0.22 -1.49 -0.22 0.00 0.00 0.00 0.00 61.98 60.48 1g3i s VAL 20 Cb -0.15 -4.44 -0.09 0.00 0.00 0.00 0.00 36.38 31.69 1g3i s VAL 20 CO 0.15 -1.03 0.85 -0.44 0.00 0.00 0.00 175.10 174.63 1g3i s SER 21 N 3.36 7.15 -0.37 3.32 0.01 -1.26 -1.79 113.70 124.12 1g3i s SER 21 Ca 0.10 1.63 0.00 0.00 1.31 0.00 0.00 55.95 59.00 1g3i s SER 21 Cb -0.23 -2.50 0.12 0.00 0.21 0.00 0.00 66.02 63.62 1g3i s SER 21 CO 0.01 -0.08 0.18 -0.22 0.41 0.00 0.00 173.24 173.55 1g3i s LEU 22 N -2.24 1.97 0.00 2.44 2.96 0.17 -4.86 118.68 119.12 1g3i s LEU 22 Ca 0.49 -2.13 0.00 0.00 -0.22 0.00 0.00 54.13 52.27 1g3i s LEU 22 Cb -0.16 -0.77 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1g3i s LEU 22 CO 0.21 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 1g3i n GLY 23 N 4.17 1.82 0.00 7.98 0.00 -1.26 -2.30 105.19 115.60 1g3i n GLY 23 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 9.84 1.27 -4.99 1.61 5.03 -1.26 -5.03 115.26 121.73 1g3i n ASN 24 Ca 0.00 -1.38 -0.19 0.00 0.87 0.00 0.00 54.58 53.88 1g3i n ASN 24 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 38.78 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 -0.38 2.60 -0.27 3.41 -4.23 -0.97 -5.10 115.64 110.70 1g3i s THR 25 Ca 0.00 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 1g3i s THR 25 Cb 0.00 -2.69 0.08 0.00 1.34 0.00 0.00 72.50 71.23 1g3i s THR 25 CO 0.00 0.00 0.02 -0.69 -0.54 0.00 0.00 174.62 173.41 1g3i s VAL 26 N -2.49 1.38 0.42 2.29 1.01 -1.26 -0.65 120.40 121.09 1g3i s VAL 26 Ca 0.55 -1.40 0.20 0.00 0.00 0.00 0.00 61.98 61.33 1g3i s VAL 26 Cb -0.07 -1.84 0.22 0.00 0.00 0.00 0.00 36.38 34.69 1g3i s VAL 26 CO 0.33 -0.36 2.00 -0.03 0.00 0.00 0.00 175.10 177.05 1g3i h MET 27 N 7.96 0.00 -1.62 2.72 -1.53 -1.68 -3.46 114.93 117.32 1g3i h MET 27 Ca -0.14 0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.18 1g3i h MET 27 Cb 1.05 0.00 -0.23 0.00 -0.55 0.00 0.00 31.60 31.88 1g3i h MET 27 CO 0.44 0.18 0.49 0.21 0.14 0.00 0.00 176.91 178.38 1g3i s LYS 28 N -4.37 0.65 0.00 0.39 2.20 -1.21 -5.01 119.74 112.40 1g3i s LYS 28 Ca -0.03 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1g3i s LYS 28 Cb 0.14 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1g3i s LYS 28 CO 0.65 -0.20 0.22 0.41 -0.36 0.00 0.00 175.35 176.07 1g3i n GLY 29 N 0.86 -0.08 1.93 5.54 0.00 -1.25 0.78 105.19 112.97 1g3i n GLY 29 Ca -0.12 0.00 -0.23 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 -0.53 5.20 -4.80 1.61 0.23 -1.00 -3.94 115.26 112.02 1g3i n ASN 30 Ca 0.00 -3.77 -0.35 0.00 -0.53 0.00 0.00 54.58 49.93 1g3i n ASN 30 Cb 0.00 -0.63 -0.05 0.00 -2.08 0.00 0.00 39.78 37.03 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 -3.59 3.00 -0.71 -2.53 0.00 0.01 -5.00 121.76 112.95 1g3i s ALA 31 Ca 0.54 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 1g3i s ALA 31 Cb 0.44 -3.23 0.18 0.00 0.00 0.00 0.00 23.12 20.52 1g3i s ALA 31 CO 0.02 -0.13 0.64 1.03 0.00 0.00 0.00 175.76 177.31 1g3i s ARG 32 N -2.93 3.27 0.00 0.00 0.52 -1.26 -4.06 118.95 114.49 1g3i s ARG 32 Ca 0.62 -2.21 0.29 0.00 -0.52 0.00 0.00 55.73 53.91 1g3i s ARG 32 Cb -0.16 -4.30 1.67 0.00 0.52 0.00 0.00 34.95 32.68 1g3i s ARG 32 CO 0.20 -1.29 2.08 1.63 0.02 0.00 0.00 175.30 177.95 1g3i n LYS 33 N 4.36 1.05 -4.04 3.54 5.02 -1.26 -4.73 118.16 122.10 1g3i n LYS 33 Ca 0.04 -0.08 -0.21 0.00 -2.02 0.00 0.00 58.31 56.04 1g3i n LYS 33 Cb 0.44 -1.45 -0.17 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.50 0.26 -0.18 1.01 -1.26 -1.44 120.40 117.29 1g3i s VAL 34 Ca 0.43 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1g3i s VAL 34 Cb 0.20 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1g3i s VAL 34 CO 0.33 0.24 0.10 -0.13 0.00 0.00 0.00 175.10 175.65 1g3i s ARG 35 N 1.22 1.41 -0.15 2.72 0.52 -0.05 -4.90 118.95 119.73 1g3i s ARG 35 Ca -0.06 -1.77 -0.08 0.00 -0.52 0.00 0.00 55.73 53.30 1g3i s ARG 35 Cb -0.14 -0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.08 1g3i s ARG 35 CO -0.02 -0.32 0.14 1.03 0.02 0.00 0.00 175.30 176.15 1g3i s ARG 36 N -4.03 3.70 0.49 3.54 0.52 -1.26 -1.50 118.95 120.41 1g3i s ARG 36 Ca 0.38 -0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 1g3i s ARG 36 Cb 0.08 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 1g3i s ARG 36 CO 0.14 0.61 0.04 -0.51 0.02 0.00 0.00 175.30 175.60 1g3i s LEU 37 N -0.55 2.19 -0.74 2.53 1.43 -0.45 -4.72 118.68 118.37 1g3i s LEU 37 Ca 0.13 -1.68 -0.05 0.00 -1.03 0.00 0.00 54.13 51.50 1g3i s LEU 37 Cb -0.12 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.57 1g3i s LEU 37 CO 0.02 -0.89 0.50 0.00 0.23 0.00 0.00 176.35 176.21 1g3i n TYR 38 N -1.18 -1.56 -3.58 0.29 -0.00 -1.26 -1.97 117.16 107.90 1g3i n TYR 38 Ca -0.16 0.56 -0.26 0.00 -0.00 0.00 0.00 57.90 58.04 1g3i n TYR 38 Cb 0.66 -2.24 0.04 0.00 -0.00 0.00 0.00 39.34 37.80 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 -1.99 -5.70 -4.29 2.98 3.02 -1.26 -2.84 115.26 105.19 1g3i n ASN 39 Ca -0.24 -0.89 -0.34 0.00 -0.03 0.00 0.00 54.58 53.09 1g3i n ASN 39 Cb 0.55 -3.64 -0.09 0.00 -0.61 0.00 0.00 39.78 36.00 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 -1.64 -0.21 0.00 7.41 0.00 -0.83 -4.80 105.19 105.12 1g3i n GLY 40 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1g3i n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g3i n LYS 41 N -4.22 -0.64 -4.04 1.61 4.76 -0.87 -4.95 118.16 109.81 1g3i n LYS 41 Ca -0.16 -0.39 -0.15 0.00 -2.87 0.00 0.00 58.31 54.75 1g3i n LYS 41 Cb 0.58 -0.86 -0.14 0.00 -1.84 0.00 0.00 35.03 32.76 1g3i n LYS 41 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1g3i s VAL 42 N -0.02 0.25 -0.07 -0.18 -7.23 -1.19 -4.25 120.40 107.72 1g3i s VAL 42 Ca 0.00 -0.11 -0.05 0.00 -1.81 0.00 0.00 61.98 60.01 1g3i s VAL 42 Cb 0.00 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 1g3i s VAL 42 CO 0.00 0.08 0.16 -0.76 -0.31 0.00 0.00 175.10 174.27 1g3i s LEU 43 N 0.06 4.37 -0.09 1.32 1.43 0.33 -1.35 118.68 124.76 1g3i s LEU 43 Ca -0.00 0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.47 1g3i s LEU 43 Cb -0.03 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.91 1g3i s LEU 43 CO -0.00 0.34 0.18 0.00 0.23 0.00 0.00 176.35 177.09 1g3i s ALA 44 N -1.17 -0.22 -0.13 4.21 0.00 -0.56 -0.35 121.76 123.53 1g3i s ALA 44 Ca 0.21 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1g3i s ALA 44 Cb -0.12 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1g3i s ALA 44 CO 0.11 -0.57 -0.17 0.20 0.00 0.00 0.00 175.76 175.34 1g3i s GLY 45 N 2.29 1.46 0.00 0.00 0.00 0.23 -0.87 107.32 110.43 1g3i s GLY 45 Ca 0.03 -0.97 0.06 0.00 0.00 0.00 0.00 44.72 43.83 1g3i s GLY 45 CO -0.06 -0.14 -0.16 -0.11 0.00 0.00 0.00 173.10 172.63 1g3i s PHE 46 N 0.53 2.63 -0.05 1.90 -0.71 -0.52 0.76 117.98 122.53 1g3i s PHE 46 Ca -0.11 -0.21 -0.02 0.00 -1.04 0.00 0.00 56.93 55.56 1g3i s PHE 46 Cb -0.16 -1.54 0.03 0.00 -1.21 0.00 0.00 43.02 40.14 1g3i s PHE 46 CO 0.04 0.23 0.10 0.00 -1.34 0.00 0.00 175.22 174.25 1g3i s ALA 47 N -0.86 -0.15 0.00 1.99 0.00 -0.46 -4.89 121.76 117.40 1g3i s ALA 47 Ca 0.14 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1g3i s ALA 47 Cb -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1g3i s ALA 47 CO 0.04 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1g3i n GLY 48 N 4.09 -0.09 3.69 0.00 0.00 -1.26 -0.67 105.19 110.94 1g3i n GLY 48 Ca -0.26 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 2.37 0.37 -0.02 0.00 -1.02 -4.86 107.32 104.16 1g3i s GLY 49 Ca 0.00 0.45 0.29 0.00 0.00 0.00 0.00 44.72 45.47 1g3i s GLY 49 CO 0.00 1.95 1.22 -1.30 0.00 0.00 0.00 173.10 174.98 1g3i n THR 50 N 4.47 -0.14 0.00 0.90 -2.24 -1.26 0.69 114.28 116.70 1g3i n THR 50 Ca 0.09 1.35 0.00 0.00 -2.27 0.00 0.00 64.05 63.22 1g3i n THR 50 Cb 0.48 -2.22 0.00 0.00 -2.10 0.00 0.00 70.33 66.49 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 -2.59 0.00 -0.48 6.98 0.00 -1.26 -3.85 120.51 119.31 1g3i n ALA 51 Ca 0.33 0.00 0.39 0.00 0.00 0.00 0.00 53.44 54.15 1g3i n ALA 51 Cb 1.33 0.00 0.63 0.00 0.00 0.00 0.00 19.45 21.40 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 -0.75 0.12 0.04 0.00 9.92 -0.90 0.82 116.55 125.80 1g3i n ASP 52 Ca 0.00 1.08 -0.02 0.00 -0.53 0.00 0.00 54.79 55.32 1g3i n ASP 52 Cb 0.00 -0.53 -0.01 0.00 -0.64 0.00 0.00 41.12 39.93 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 1.20 -0.79 -0.46 2.24 0.00 0.07 0.16 119.26 121.68 1g3i h ALA 53 Ca 0.78 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.76 1g3i h ALA 53 Cb 2.72 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 20.75 1g3i h ALA 53 CO -0.27 -0.79 -0.19 0.74 0.00 0.00 0.00 179.25 178.73 1g3i h PHE 54 N -0.13 -0.48 -0.75 0.00 -1.00 0.31 0.13 116.94 115.01 1g3i h PHE 54 Ca -0.01 0.05 0.15 0.00 2.81 0.00 0.00 57.97 60.97 1g3i h PHE 54 Cb 0.12 0.28 -0.05 0.00 3.61 0.00 0.00 35.95 39.91 1g3i h PHE 54 CO -0.11 -0.28 0.50 0.00 -1.61 0.00 0.00 178.31 176.82 1g3i h THR 55 N -0.09 0.79 0.34 -1.55 1.03 -0.92 1.72 112.91 114.22 1g3i h THR 55 Ca 0.22 -0.14 -0.02 0.00 -0.01 0.00 0.00 66.41 66.47 1g3i h THR 55 Cb 0.44 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 1g3i h THR 55 CO -0.53 0.07 -0.16 0.25 -0.01 0.00 0.00 175.52 175.14 1g3i h LEU 56 N 0.40 -0.39 -0.89 0.00 6.46 0.13 -2.54 115.31 118.48 1g3i h LEU 56 Ca 0.37 0.01 0.24 0.00 -0.12 0.00 0.00 57.88 58.39 1g3i h LEU 56 Cb 0.87 0.10 -0.15 0.00 -0.73 0.00 0.00 40.66 40.75 1g3i h LEU 56 CO -0.12 -0.00 0.17 0.15 -0.62 0.00 0.00 178.44 178.02 1g3i h PHE 57 N -1.01 0.22 0.00 1.25 3.04 0.11 0.24 116.94 120.79 1g3i h PHE 57 Ca -0.05 0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.89 1g3i h PHE 57 Cb 0.35 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1g3i h PHE 57 CO 0.01 -0.28 -0.33 0.93 -2.02 0.00 0.00 178.31 176.62 1g3i h GLU 58 N 0.14 0.00 -0.06 1.11 5.08 0.25 -2.86 114.58 118.24 1g3i h GLU 58 Ca 0.56 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.76 1g3i h GLU 58 Cb 1.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.39 1g3i h GLU 58 CO -0.72 0.33 -0.56 -0.07 -1.00 0.00 0.00 179.01 176.99 1g3i h LEU 59 N 0.00 0.59 -2.17 1.33 4.07 -0.10 -3.04 115.31 115.99 1g3i h LEU 59 Ca -0.00 -0.69 0.05 0.00 0.08 0.00 0.00 57.88 57.32 1g3i h LEU 59 Cb 0.60 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1g3i h LEU 59 CO 0.04 1.19 0.17 0.15 -1.08 0.00 0.00 178.44 178.92 1g3i h PHE 60 N 0.04 0.00 0.09 1.13 3.57 -1.21 -1.42 116.94 119.13 1g3i h PHE 60 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1g3i h PHE 60 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1g3i h PHE 60 CO 0.13 0.00 -0.04 1.49 -2.23 0.00 0.00 178.31 177.65 1g3i h GLU 61 N 0.00 -0.11 -1.01 1.11 4.81 -1.44 -0.45 114.58 117.49 1g3i h GLU 61 Ca 0.09 0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.61 1g3i h GLU 61 Cb 0.43 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 29.70 1g3i h GLU 61 CO -0.00 0.42 0.59 0.00 -0.73 0.00 0.00 179.01 179.29 1g3i h ARG 62 N -0.83 0.45 0.67 1.92 3.08 -1.22 0.56 114.38 119.01 1g3i h ARG 62 Ca -0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1g3i h ARG 62 Cb 0.59 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1g3i h ARG 62 CO 0.02 0.30 -0.32 0.87 -1.07 0.00 0.00 179.97 179.77 1g3i h LYS 63 N 0.47 -0.87 -0.77 0.04 6.56 -1.16 -0.81 116.57 120.02 1g3i h LYS 63 Ca 0.69 0.06 0.17 0.00 -1.06 0.00 0.00 60.65 60.51 1g3i h LYS 63 Cb 1.43 0.20 -0.11 0.00 -0.57 0.00 0.00 32.23 33.18 1g3i h LYS 63 CO -0.53 -0.55 0.22 -0.07 -2.06 0.00 0.00 179.45 176.46 1g3i h LEU 64 N -1.08 0.07 -1.18 2.94 3.38 0.10 0.37 115.31 119.91 1g3i h LEU 64 Ca -0.09 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1g3i h LEU 64 Cb 0.73 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1g3i h LEU 64 CO 0.15 -0.03 0.56 -0.33 0.09 0.00 0.00 178.44 178.88 1g3i h GLU 65 N 0.30 1.06 0.00 1.13 4.39 0.15 -1.77 114.58 119.83 1g3i h GLU 65 Ca 0.45 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1g3i h GLU 65 Cb 0.78 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1g3i h GLU 65 CO -0.52 0.70 0.00 0.52 -1.16 0.00 0.00 179.01 178.55 1g3i h MET 66 N 1.10 0.00 -1.42 2.33 2.86 0.12 -3.37 114.93 116.55 1g3i h MET 66 Ca 0.32 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.42 1g3i h MET 66 Cb -0.05 0.00 -0.42 0.00 0.06 0.00 0.00 31.60 31.19 1g3i h MET 66 CO -0.08 0.00 -0.83 0.72 1.06 0.00 0.00 176.91 177.78 1g3i n HIS 67 N -2.51 2.94 -1.74 -0.22 8.25 -0.58 -4.95 115.22 116.40 1g3i n HIS 67 Ca 0.04 -3.06 -0.06 0.00 -0.26 0.00 0.00 57.72 54.38 1g3i n HIS 67 Cb 0.39 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.34 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 -0.39 -1.79 -2.53 -0.41 6.02 -1.23 -1.17 117.38 115.88 1g3i n GLN 68 Ca 0.33 0.32 -0.15 0.00 -0.01 0.00 0.00 57.00 57.49 1g3i n GLN 68 Cb 0.69 -4.62 0.01 0.00 1.02 0.00 0.00 30.24 27.34 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 -0.34 -0.18 3.54 1.08 0.00 -0.72 -4.93 105.19 103.64 1g3i n GLY 69 Ca -0.06 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1g3i n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g3i s HIS 70 N -2.85 2.50 0.00 1.61 3.76 -0.32 -4.90 115.29 115.09 1g3i s HIS 70 Ca 0.11 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 1g3i s HIS 70 Cb -0.05 -4.63 0.00 0.00 1.11 0.00 0.00 32.58 29.01 1g3i s HIS 70 CO 0.13 -1.94 0.77 -0.11 -0.85 0.00 0.00 174.74 172.75 1g3i n LEU 71 N 8.82 0.00 -0.11 0.89 -0.00 -1.26 -1.09 117.00 124.25 1g3i n LEU 71 Ca 0.21 0.77 -0.03 0.00 -0.00 0.00 0.00 56.01 56.96 1g3i n LEU 71 Cb 0.50 -0.35 -0.03 0.00 -0.00 0.00 0.00 43.42 43.54 1g3i n LEU 71 CO 0.66 -0.35 0.50 0.25 -0.00 0.00 0.00 177.39 178.45 1g3i h LEU 72 N 0.00 -0.61 -0.11 -1.96 7.12 -1.99 -1.60 115.31 116.16 1g3i h LEU 72 Ca 0.00 0.09 0.01 0.00 0.13 0.00 0.00 57.88 58.11 1g3i h LEU 72 Cb 0.00 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.37 1g3i h LEU 72 CO 0.00 -0.07 -0.15 0.50 -0.13 0.00 0.00 178.44 178.59 1g3i h LYS 73 N -0.02 -0.10 -0.74 1.25 3.64 -1.90 -0.60 116.57 118.10 1g3i h LYS 73 Ca 0.04 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.66 1g3i h LYS 73 Cb 0.13 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 31.83 1g3i h LYS 73 CO -0.25 -0.07 0.12 0.43 -2.27 0.00 0.00 179.45 177.41 1g3i n SER 74 N -3.42 0.00 0.41 4.20 7.64 -0.25 0.74 113.62 122.96 1g3i n SER 74 Ca -0.01 1.25 -0.16 0.00 1.01 0.00 0.00 58.87 60.96 1g3i n SER 74 Cb 0.09 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.72 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 1.48 -1.28 -0.36 -0.43 0.00 -0.15 -1.47 119.26 117.05 1g3i h ALA 75 Ca 0.50 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1g3i h ALA 75 Cb 1.12 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 1g3i h ALA 75 CO -0.66 -1.20 -0.20 0.28 0.00 0.00 0.00 179.25 177.46 1g3i h VAL 76 N -1.04 0.42 -0.93 0.00 2.07 0.11 0.20 116.25 117.08 1g3i h VAL 76 Ca -0.11 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.61 1g3i h VAL 76 Cb 0.80 0.42 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 1g3i h VAL 76 CO 0.17 0.00 0.50 -0.33 0.02 0.00 0.00 177.57 177.94 1g3i h GLU 77 N -0.15 0.58 0.32 1.57 4.39 -0.96 0.42 114.58 120.76 1g3i h GLU 77 Ca 0.18 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1g3i h GLU 77 Cb 0.43 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1g3i h GLU 77 CO -0.45 0.38 -0.16 1.25 -1.16 0.00 0.00 179.01 178.88 1g3i h LEU 78 N 0.60 -0.37 -0.83 1.33 5.85 0.21 -2.95 115.31 119.16 1g3i h LEU 78 Ca 0.56 -0.14 0.20 0.00 0.84 0.00 0.00 57.88 59.34 1g3i h LEU 78 Cb 0.94 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.93 1g3i h LEU 78 CO -0.43 -0.05 0.21 0.00 -0.34 0.00 0.00 178.44 177.83 1g3i h ALA 79 N -0.15 1.14 -0.83 1.25 0.00 0.16 0.51 119.26 121.35 1g3i h ALA 79 Ca -0.04 0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.23 1g3i h ALA 79 Cb 0.49 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1g3i h ALA 79 CO 0.07 -0.40 0.55 0.87 0.00 0.00 0.00 179.25 180.34 1g3i h LYS 80 N 0.24 0.44 0.00 0.00 1.79 -0.10 0.30 116.57 119.24 1g3i h LYS 80 Ca 0.50 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1g3i h LYS 80 Cb 0.93 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1g3i h LYS 80 CO -0.59 0.29 0.00 -0.25 -1.08 0.00 0.00 179.45 177.82 1g3i n ASP 81 N -4.50 0.00 -0.03 0.86 10.43 0.18 -1.44 116.55 122.05 1g3i n ASP 81 Ca 0.17 -0.23 -0.03 0.00 2.57 0.00 0.00 54.79 57.26 1g3i n ASP 81 Cb 0.58 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.51 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 -0.87 0.00 -1.23 1.24 8.01 0.08 -4.13 117.44 120.54 1g3i n TRP 82 Ca 0.03 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.03 1g3i n TRP 82 Cb 0.01 -0.23 -0.11 0.00 -2.01 0.00 0.00 31.31 28.97 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 -2.43 2.18 -4.61 -0.99 1.74 -0.52 -4.68 116.66 107.34 1g3i n ARG 83 Ca -0.09 -1.67 -0.28 0.00 -0.77 0.00 0.00 57.85 55.04 1g3i n ARG 83 Cb 0.63 -2.05 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 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 -0.70 0.84 0.28 0.55 -4.23 -1.25 -4.97 115.64 106.15 1g3i s THR 84 Ca 0.61 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.43 1g3i s THR 84 Cb 0.34 -2.30 0.33 0.00 1.34 0.00 0.00 72.50 72.22 1g3i s THR 84 CO -0.11 0.00 2.03 0.44 -0.54 0.00 0.00 174.62 176.44 1g3i h ASP 85 N 1.63 0.00 0.00 3.99 5.19 -1.96 -3.39 116.42 121.88 1g3i h ASP 85 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1g3i h ASP 85 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1g3i h ASP 85 CO 0.64 0.09 0.00 0.54 -3.12 0.00 0.00 179.24 177.39 1g3i n ARG 86 N -3.33 0.00 -3.09 3.56 3.00 -1.26 -5.15 116.66 110.39 1g3i n ARG 86 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 1g3i n ARG 86 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.74 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 -3.00 0.00 -3.21 7.54 0.00 -1.26 -5.09 120.51 115.49 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 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1g3i n ALA 87 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1g3i s LEU 88 N 0.00 -1.40 0.00 0.00 0.20 -1.26 -4.87 118.68 111.35 1g3i s LEU 88 Ca 0.00 -0.49 0.00 0.00 0.69 0.00 0.00 54.13 54.33 1g3i s LEU 88 Cb 0.00 1.82 0.00 0.00 -0.43 0.00 0.00 46.19 47.58 1g3i s LEU 88 CO 0.00 -0.23 0.00 0.54 -0.29 0.00 0.00 176.35 176.37 1g3i n ARG 89 N 4.81 0.00 0.00 1.98 1.74 -1.26 -4.45 116.66 119.47 1g3i n ARG 89 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1g3i n ARG 89 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 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 0.00 -1.70 5.56 -0.00 -1.26 -5.08 118.16 115.67 1g3i n LYS 90 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.87 1g3i n LYS 90 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 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 0.00 3.67 -2.80 -5.58 7.99 -1.23 -4.87 117.00 114.19 1g3i n LEU 91 Ca 0.00 1.08 -0.29 0.00 -0.01 0.00 0.00 56.01 56.79 1g3i n LEU 91 Cb 0.00 -1.52 -0.07 0.00 -0.11 0.00 0.00 43.42 41.72 1g3i n LEU 91 CO 0.00 -0.01 2.28 -0.62 -1.51 0.00 0.00 177.39 177.52 1g3i n GLU 92 N 3.55 3.14 -3.96 3.23 -0.58 -1.26 -3.58 120.64 121.18 1g3i n GLU 92 Ca 0.16 -2.18 -0.09 0.00 -0.42 0.00 0.00 57.16 54.63 1g3i n GLU 92 Cb 0.33 -2.39 -0.04 0.00 -0.57 0.00 0.00 31.44 28.77 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 0.23 -0.47 0.06 0.62 0.00 -1.26 -2.43 121.76 118.51 1g3i s ALA 93 Ca 0.63 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1g3i s ALA 93 Cb 0.27 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 24.35 1g3i s ALA 93 CO -0.09 -0.91 -0.05 -1.64 0.00 0.00 0.00 175.76 173.08 1g3i s MET 94 N -3.86 0.59 0.09 0.00 -1.94 0.15 -0.83 119.30 113.50 1g3i s MET 94 Ca 0.20 -1.03 0.07 0.00 -1.71 0.00 0.00 55.69 53.22 1g3i s MET 94 Cb -0.02 -0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.75 1g3i s MET 94 CO 0.09 -0.04 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.37 1g3i s LEU 95 N -2.37 2.29 -0.21 -0.03 1.43 0.27 -1.35 118.68 118.70 1g3i s LEU 95 Ca 0.00 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 1g3i s LEU 95 Cb -0.00 -0.76 0.04 0.00 0.03 0.00 0.00 46.19 45.50 1g3i s LEU 95 CO -0.04 0.01 -0.15 -0.63 0.23 0.00 0.00 176.35 175.77 1g3i s ILE 96 N -1.18 1.97 0.07 -0.59 1.01 0.23 -0.98 121.20 121.72 1g3i s ILE 96 Ca 0.03 -1.15 0.09 0.00 0.00 0.00 0.00 60.65 59.63 1g3i s ILE 96 Cb -0.10 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1g3i s ILE 96 CO 0.03 0.28 -0.25 0.68 0.00 0.00 0.00 174.94 175.68 1g3i s VAL 97 N 1.27 2.29 -0.21 2.92 -7.23 -0.91 0.76 120.40 119.29 1g3i s VAL 97 Ca -0.01 -1.45 -0.27 0.00 -1.81 0.00 0.00 61.98 58.45 1g3i s VAL 97 Cb -0.16 -1.94 0.09 0.00 0.56 0.00 0.00 36.38 34.94 1g3i s VAL 97 CO -0.09 0.29 0.83 0.00 -0.31 0.00 0.00 175.10 175.82 1g3i s ALA 98 N -0.89 -1.85 0.33 1.32 0.00 0.53 0.95 121.76 122.15 1g3i s ALA 98 Ca 0.13 1.77 0.03 0.00 0.00 0.00 0.00 51.96 53.89 1g3i s ALA 98 Cb -0.10 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 1g3i s ALA 98 CO 0.04 -0.32 0.11 -0.40 0.00 0.00 0.00 175.76 175.19 1g3i n ASP 99 N 1.91 1.33 -0.32 0.00 3.85 -0.62 0.12 116.55 122.82 1g3i n ASP 99 Ca -0.14 -2.75 0.20 0.00 -0.71 0.00 0.00 54.79 51.40 1g3i n ASP 99 Cb 0.56 0.78 0.40 0.00 -1.35 0.00 0.00 41.12 41.51 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 0.10 0.05 0.11 4.11 -1.93 -2.94 114.58 114.08 1g3i h GLU 100 Ca -0.26 -0.01 -0.36 0.00 0.07 0.00 0.00 59.36 58.81 1g3i h GLU 100 Cb 0.98 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 1g3i h GLU 100 CO 0.42 0.06 -2.10 0.36 0.07 0.00 0.00 179.01 177.82 1g3i n LYS 101 N -5.30 0.70 -4.74 1.06 2.85 -1.26 -4.97 118.16 106.51 1g3i n LYS 101 Ca 0.28 0.21 -0.32 0.00 -1.05 0.00 0.00 58.31 57.43 1g3i n LYS 101 Cb 0.92 -1.66 -0.08 0.00 -0.65 0.00 0.00 35.03 33.56 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 -2.55 2.15 -0.23 -1.58 0.41 -1.11 -5.13 118.70 110.66 1g3i s GLU 102 Ca -0.20 -2.35 -0.07 0.00 -0.41 0.00 0.00 54.97 51.94 1g3i s GLU 102 Cb 0.07 -1.54 0.11 0.00 -1.78 0.00 0.00 34.13 31.00 1g3i s GLU 102 CO 0.75 -0.31 0.47 0.45 -0.49 0.00 0.00 175.26 176.13 1g3i s SER 103 N -3.85 -0.45 0.39 -0.19 0.15 -1.26 -1.58 113.70 106.91 1g3i s SER 103 Ca 0.10 1.04 0.05 0.00 0.70 0.00 0.00 55.95 57.85 1g3i s SER 103 Cb 0.03 1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 65.89 1g3i s SER 103 CO 0.05 -0.24 0.17 0.18 1.20 0.00 0.00 173.24 174.61 1g3i n LEU 104 N 5.40 0.00 -3.67 3.45 4.32 0.27 -4.34 117.00 122.43 1g3i n LEU 104 Ca -0.08 -3.13 -0.13 0.00 -0.02 0.00 0.00 56.01 52.65 1g3i n LEU 104 Cb 0.49 1.15 -0.13 0.00 -1.62 0.00 0.00 43.42 43.31 1g3i n LEU 104 CO -0.00 -0.49 -0.12 -0.51 -1.22 0.00 0.00 177.39 175.05 1g3i s ILE 105 N -3.13 -0.42 -0.08 -0.08 2.07 -0.90 -2.13 121.20 116.53 1g3i s ILE 105 Ca 0.24 0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.77 1g3i s ILE 105 Cb 0.01 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 1g3i s ILE 105 CO 0.17 0.11 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.54 1g3i s ILE 106 N 2.39 3.01 0.18 2.00 1.01 -0.16 -1.57 121.20 128.06 1g3i s ILE 106 Ca 0.01 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1g3i s ILE 106 Cb -0.12 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1g3i s ILE 106 CO -0.09 0.57 0.10 0.42 0.00 0.00 0.00 174.94 175.93 1g3i s THR 107 N -0.34 4.20 0.45 2.92 -4.23 -1.12 0.94 115.64 118.47 1g3i s THR 107 Ca 0.03 -1.26 0.22 0.00 -1.18 0.00 0.00 61.69 59.51 1g3i s THR 107 Cb -0.13 -3.16 0.25 0.00 1.34 0.00 0.00 72.50 70.81 1g3i s THR 107 CO 0.02 -0.15 2.06 1.23 -0.54 0.00 0.00 174.62 177.25 1g3i h GLY 108 N 2.38 0.00 2.00 3.99 0.00 -1.04 -1.00 103.07 109.40 1g3i h GLY 108 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 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 -3.93 0.71 -0.52 2.60 -5.35 -1.26 -3.47 119.36 108.14 1g3i n ILE 109 Ca -0.02 0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 1g3i n ILE 109 Cb 0.23 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 37.21 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 0.51 0.48 3.59 3.28 0.00 -0.38 -4.80 105.19 107.87 1g3i n GLY 110 Ca 0.04 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.03 -0.74 0.19 1.61 3.84 -1.25 -4.74 116.67 113.53 1g3i s ASP 111 Ca 0.00 1.38 -0.01 0.00 -0.00 0.00 0.00 52.55 53.92 1g3i s ASP 111 Cb 0.00 1.37 -0.04 0.00 -1.38 0.00 0.00 42.92 42.87 1g3i s ASP 111 CO 0.00 -0.24 0.37 0.68 -0.00 0.00 0.00 175.17 175.99 1g3i s VAL 112 N 0.58 5.22 -0.06 2.11 -7.23 -1.26 -2.77 120.40 116.98 1g3i s VAL 112 Ca -0.02 -0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 59.74 1g3i s VAL 112 Cb -0.05 -3.72 0.02 0.00 0.56 0.00 0.00 36.38 33.19 1g3i s VAL 112 CO -0.03 -0.14 0.16 -0.69 -0.31 0.00 0.00 175.10 174.09 1g3i s VAL 113 N -1.83 -0.01 0.16 1.32 1.01 -0.61 -4.99 120.40 115.45 1g3i s VAL 113 Ca 0.38 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1g3i s VAL 113 Cb -0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1g3i s VAL 113 CO 0.29 0.02 0.39 -1.10 0.00 0.00 0.00 175.10 174.69 1g3i s GLN 114 N 0.41 3.59 1.35 2.72 -0.21 -1.26 -2.12 119.66 124.14 1g3i s GLN 114 Ca -0.03 -0.14 -0.22 0.00 0.02 0.00 0.00 55.36 54.99 1g3i s GLN 114 Cb -0.04 -2.84 0.34 0.00 1.00 0.00 0.00 33.01 31.47 1g3i s GLN 114 CO -0.02 0.44 1.01 -2.14 -2.12 0.00 0.00 175.29 172.46 1g3i s PRO 115 N -2.85 -2.36 0.07 2.91 0.02 -1.26 -5.01 135.00 126.51 1g3i s PRO 115 Ca 0.41 -0.01 -0.00 0.00 0.02 0.00 0.00 61.00 61.42 1g3i s PRO 115 Cb -0.12 -1.46 0.01 0.00 0.02 0.00 0.00 34.50 32.96 1g3i s PRO 115 CO 0.26 -4.47 0.09 0.39 -0.33 0.00 0.00 177.00 172.94 1g3i n GLU 116 N -5.31 0.47 -0.27 5.54 1.02 -1.26 -4.87 120.64 115.96 1g3i n GLU 116 Ca 0.14 -0.23 0.21 0.00 -0.02 0.00 0.00 57.16 57.25 1g3i n GLU 116 Cb 0.60 -0.07 0.52 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 0.38 0.00 3.49 4.11 -1.99 -1.11 114.58 119.46 1g3i h GLU 117 Ca -0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1g3i h GLU 117 Cb 0.11 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1g3i h GLU 117 CO 0.03 0.25 -0.09 0.38 0.07 0.00 0.00 179.01 179.65 1g3i h ASP 118 N 0.39 0.00 -3.55 3.06 3.04 -1.99 -3.47 116.42 113.90 1g3i h ASP 118 Ca 0.51 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 54.17 1g3i h ASP 118 Cb 1.30 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 39.66 1g3i h ASP 118 CO -0.20 0.09 -0.32 0.00 -2.04 0.00 0.00 179.24 176.77 1g3i n GLN 119 N -3.17 -2.52 -4.98 4.15 6.02 -0.42 -4.76 117.38 111.69 1g3i n GLN 119 Ca 0.02 0.35 -0.28 0.00 -0.01 0.00 0.00 57.00 57.07 1g3i n GLN 119 Cb 0.44 -3.82 -0.16 0.00 1.02 0.00 0.00 30.24 27.72 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 -3.15 1.66 0.02 5.09 1.01 -1.26 -3.85 121.20 120.73 1g3i s ILE 120 Ca 0.02 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1g3i s ILE 120 Cb -0.00 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1g3i s ILE 120 CO 0.30 0.47 -0.16 -0.76 0.00 0.00 0.00 174.94 174.79 1g3i s LEU 121 N 0.10 2.11 -0.14 2.97 1.43 -0.65 -4.64 118.68 119.87 1g3i s LEU 121 Ca -0.07 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.54 1g3i s LEU 121 Cb -0.14 -0.77 0.05 0.00 0.03 0.00 0.00 46.19 45.36 1g3i s LEU 121 CO 0.04 0.13 0.34 0.00 0.23 0.00 0.00 176.35 177.08 1g3i s ALA 122 N -0.65 -0.83 0.12 4.21 0.00 -1.26 -0.02 121.76 123.33 1g3i s ALA 122 Ca 0.05 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.26 1g3i s ALA 122 Cb -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1g3i s ALA 122 CO 0.01 -0.22 -0.09 0.96 0.00 0.00 0.00 175.76 176.42 1g3i s ILE 123 N 1.10 0.95 0.00 0.00 -4.36 0.14 -4.81 121.20 114.22 1g3i s ILE 123 Ca -0.08 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 1g3i s ILE 123 Cb -0.08 -1.64 0.00 0.00 1.25 0.00 0.00 42.46 41.99 1g3i s ILE 123 CO -0.09 -0.73 0.00 0.61 0.24 0.00 0.00 174.94 174.98 1g3i n GLY 124 N 0.08 1.04 0.23 6.27 0.00 -1.26 -0.35 105.19 111.21 1g3i n GLY 124 Ca -0.13 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.53 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 0.84 -0.79 1.61 4.64 -0.42 -2.97 113.55 116.45 1g3i h SER 125 Ca 0.00 -0.44 -0.38 0.00 -0.47 0.00 0.00 61.79 60.50 1g3i h SER 125 Cb 0.00 -0.23 -0.23 0.00 -0.31 0.00 0.00 62.40 61.63 1g3i h SER 125 CO 0.00 1.10 0.48 0.61 -0.87 0.00 0.00 176.83 178.15 1g3i n GLY 126 N 0.06 3.91 0.30 -0.77 0.00 -0.97 -4.63 105.19 103.09 1g3i n GLY 126 Ca -0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 1.85 -0.77 -0.14 -0.02 0.00 -1.74 -2.27 103.07 99.98 1g3i h GLY 127 Ca 0.46 0.29 0.29 0.00 0.00 0.00 0.00 47.33 48.37 1g3i h GLY 127 CO 0.86 -0.28 0.73 3.43 0.00 0.00 0.00 176.54 181.27 1g3i h ASN 128 N -0.92 0.21 0.00 0.19 2.35 -1.83 1.10 115.58 116.67 1g3i h ASN 128 Ca -0.08 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1g3i h ASN 128 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1g3i h ASN 128 CO 0.12 0.04 0.00 -1.22 -1.65 0.00 0.00 177.43 174.73 1g3i n TYR 129 N -4.40 0.00 -0.39 1.19 0.53 -1.19 0.29 117.16 113.19 1g3i n TYR 129 Ca 0.24 0.00 0.36 0.00 -1.02 0.00 0.00 57.90 57.48 1g3i n TYR 129 Cb 1.02 -0.47 0.72 0.00 -1.03 0.00 0.00 39.34 39.58 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 3.07 0.24 -0.72 0.00 -0.51 0.68 119.26 120.03 1g3i h ALA 130 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1g3i h ALA 130 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1g3i h ALA 130 CO 0.00 -1.48 -0.12 1.25 0.00 0.00 0.00 179.25 178.90 1g3i h LEU 131 N 0.07 -0.28 -0.95 0.00 5.85 0.14 -1.49 115.31 118.65 1g3i h LEU 131 Ca 0.65 0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.65 1g3i h LEU 131 Cb 2.41 0.07 -0.18 0.00 0.37 0.00 0.00 40.66 43.34 1g3i h LEU 131 CO -0.09 -0.12 0.03 -1.20 -0.34 0.00 0.00 178.44 176.72 1g3i n SER 132 N -3.28 -0.10 0.38 1.25 7.64 0.15 0.19 113.62 119.85 1g3i n SER 132 Ca -0.04 1.62 -0.16 0.00 1.01 0.00 0.00 58.87 61.30 1g3i n SER 132 Cb 0.13 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 62.65 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 1.91 -1.24 -0.35 -0.43 0.00 -1.23 -0.58 119.26 117.34 1g3i h ALA 133 Ca 0.58 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.35 1g3i h ALA 133 Cb 1.22 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 19.40 1g3i h ALA 133 CO -0.89 -1.19 -0.35 0.00 0.00 0.00 0.00 179.25 176.83 1g3i h ALA 134 N -1.39 -0.27 -0.48 0.00 0.00 0.85 0.19 119.26 118.16 1g3i h ALA 134 Ca -0.10 0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1g3i h ALA 134 Cb 0.80 0.72 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 1g3i h ALA 134 CO 0.12 -0.77 -0.18 0.00 0.00 0.00 0.00 179.25 178.42 1g3i h ARG 135 N -0.30 -0.08 -0.13 0.00 3.08 -0.26 0.73 114.38 117.43 1g3i h ARG 135 Ca 0.15 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.24 1g3i h ARG 135 Cb 0.55 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1g3i h ARG 135 CO -0.51 -0.05 -0.07 0.00 -1.07 0.00 0.00 179.97 178.27 1g3i h ALA 136 N 1.30 0.05 0.00 0.04 0.00 0.61 0.26 119.26 121.52 1g3i h ALA 136 Ca 0.23 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1g3i h ALA 136 Cb 0.43 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1g3i h ALA 136 CO -0.53 -0.52 -0.10 -0.07 0.00 0.00 0.00 179.25 178.03 1g3i h LEU 137 N -0.06 0.00 0.18 0.00 4.07 0.58 -0.84 115.31 119.24 1g3i h LEU 137 Ca 0.07 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.70 1g3i h LEU 137 Cb 0.17 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.92 1g3i h LEU 137 CO -0.17 0.10 -1.62 0.58 -1.08 0.00 0.00 178.44 176.25 1g3i h VAL 138 N 0.00 1.09 0.00 1.22 2.07 0.11 -3.26 116.25 117.48 1g3i h VAL 138 Ca -0.00 -2.65 -0.13 0.00 0.82 0.00 0.00 66.70 64.74 1g3i h VAL 138 Cb 0.45 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1g3i h VAL 138 CO 0.01 0.84 -0.62 -0.33 0.02 0.00 0.00 177.57 177.49 1g3i h GLU 139 N 0.11 0.00 -0.20 1.57 5.08 -0.74 -3.36 114.58 117.03 1g3i h GLU 139 Ca -0.29 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.93 1g3i h GLU 139 Cb 2.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 31.24 1g3i h GLU 139 CO 0.20 0.62 -0.49 0.09 -1.00 0.00 0.00 179.01 178.43 1g3i n ASN 140 N -3.49 2.50 -3.64 1.42 3.02 -0.34 -5.04 115.26 109.68 1g3i n ASN 140 Ca 0.00 -3.86 -0.04 0.00 -0.03 0.00 0.00 54.58 50.65 1g3i n ASN 140 Cb 0.69 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 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 -3.52 0.00 -0.25 3.41 -1.32 -1.23 -4.97 115.64 107.77 1g3i s THR 141 Ca 0.42 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.87 1g3i s THR 141 Cb 0.38 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.40 1g3i s THR 141 CO -0.04 0.00 2.60 -0.62 -2.21 0.00 0.00 174.62 174.35 1g3i n GLU 142 N 1.33 1.91 -2.82 7.08 -0.58 -1.26 -4.67 120.64 121.64 1g3i n GLU 142 Ca -0.08 -1.46 -0.35 0.00 -0.42 0.00 0.00 57.16 54.86 1g3i n GLU 142 Cb 0.57 -1.77 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 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 -1.27 4.12 0.58 -4.62 1.43 -1.26 -5.02 118.68 112.63 1g3i s LEU 143 Ca 0.43 1.74 -0.20 0.00 -1.03 0.00 0.00 54.13 55.07 1g3i s LEU 143 Cb 0.27 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 1g3i s LEU 143 CO -0.07 -0.23 1.15 -0.24 0.23 0.00 0.00 176.35 177.18 1g3i n SER 144 N -0.11 1.61 0.36 2.29 2.88 -1.26 -4.82 113.62 114.56 1g3i n SER 144 Ca 0.05 0.88 -0.18 0.00 -1.33 0.00 0.00 58.87 58.29 1g3i n SER 144 Cb 0.52 -1.47 -0.09 0.00 -0.75 0.00 0.00 64.21 62.42 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 0.83 -0.89 -0.59 -1.46 0.00 -1.93 -1.17 119.26 114.04 1g3i h ALA 145 Ca -0.49 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.34 1g3i h ALA 145 Cb 1.34 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 19.37 1g3i h ALA 145 CO 0.53 -0.99 -0.11 1.25 0.00 0.00 0.00 179.25 179.93 1g3i h HIS 146 N -0.92 -0.25 -0.48 0.00 -0.00 -1.91 -1.93 115.15 109.65 1g3i h HIS 146 Ca -0.09 0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.37 1g3i h HIS 146 Cb 0.69 0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 28.26 1g3i h HIS 146 CO -0.02 -0.23 0.24 0.93 -0.00 0.00 0.00 177.93 178.84 1g3i h GLU 147 N 0.02 0.46 -0.67 5.26 5.08 -1.85 -2.04 114.58 120.84 1g3i h GLU 147 Ca 0.29 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 1g3i h GLU 147 Cb 0.45 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1g3i h GLU 147 CO -0.59 0.30 0.37 0.82 -1.00 0.00 0.00 179.01 178.92 1g3i h ILE 148 N 0.47 0.97 0.32 3.13 2.04 -0.43 -1.06 117.51 122.95 1g3i h ILE 148 Ca 0.21 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1g3i h ILE 148 Cb 0.13 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1g3i h ILE 148 CO -0.16 0.13 -0.48 0.58 0.00 0.00 0.00 178.15 178.22 1g3i h VAL 149 N 0.69 0.06 -0.46 1.67 2.07 -1.06 0.11 116.25 119.33 1g3i h VAL 149 Ca 0.30 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.87 1g3i h VAL 149 Cb 0.19 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 29.96 1g3i h VAL 149 CO -0.18 0.00 -0.34 -0.08 0.02 0.00 0.00 177.57 176.99 1g3i h GLU 150 N -0.86 -0.08 -0.51 1.57 4.22 -0.78 0.14 114.58 118.29 1g3i h GLU 150 Ca -0.03 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.48 1g3i h GLU 150 Cb 0.80 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 1g3i h GLU 150 CO -0.15 -0.05 0.21 0.87 -2.18 0.00 0.00 179.01 177.70 1g3i h LYS 151 N -0.08 0.40 -0.31 1.92 6.56 -1.04 -2.64 116.57 121.39 1g3i h LYS 151 Ca 0.07 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 1g3i h LYS 151 Cb 0.28 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.83 1g3i h LYS 151 CO -0.47 0.27 0.15 0.77 -2.06 0.00 0.00 179.45 178.10 1g3i h SER 152 N 0.41 0.40 -0.50 0.86 0.02 0.06 -1.02 113.55 113.77 1g3i h SER 152 Ca 0.24 -0.12 0.10 0.00 -0.84 0.00 0.00 61.79 61.17 1g3i h SER 152 Cb 0.22 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.56 1g3i h SER 152 CO -0.21 0.41 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.71 1g3i h LEU 153 N 0.36 -0.43 0.57 5.07 3.38 -0.50 -0.65 115.31 123.11 1g3i h LEU 153 Ca 0.11 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1g3i h LEU 153 Cb 0.11 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1g3i h LEU 153 CO -0.01 -0.15 -0.41 -0.09 0.09 0.00 0.00 178.44 177.86 1g3i h ARG 154 N 0.02 -0.90 -0.97 1.13 2.43 -1.09 0.12 114.38 115.11 1g3i h ARG 154 Ca 0.24 0.06 0.32 0.00 -0.81 0.00 0.00 59.98 59.80 1g3i h ARG 154 Cb 0.37 0.20 -0.18 0.00 -0.42 0.00 0.00 29.97 29.95 1g3i h ARG 154 CO -0.51 -0.60 0.23 -0.89 -1.51 0.00 0.00 179.97 176.69 1g3i n ILE 155 N -4.95 -0.41 -0.02 1.20 5.41 -0.43 0.36 119.36 120.51 1g3i n ILE 155 Ca -0.11 2.07 -0.13 0.00 1.00 0.00 0.00 62.75 65.57 1g3i n ILE 155 Cb 0.40 -3.15 -0.10 0.00 -0.71 0.00 0.00 39.64 36.08 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 1.94 0.02 -0.31 -1.39 0.00 -0.62 -3.03 119.26 115.88 1g3i h ALA 156 Ca 0.68 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 55.42 1g3i h ALA 156 Cb 1.61 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1g3i h ALA 156 CO -0.84 -0.20 0.28 0.78 0.00 0.00 0.00 179.25 179.26 1g3i h GLY 157 N -0.45 0.00 2.00 0.00 0.00 0.26 0.39 103.07 105.27 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 0.00 -0.55 0.00 0.00 0.00 176.54 175.99 1g3i h ASP 158 N 0.00 0.00 0.00 0.19 3.45 -1.01 -3.31 116.42 115.74 1g3i h ASP 158 Ca 0.14 0.00 -0.37 0.00 0.43 0.00 0.00 57.03 57.23 1g3i h ASP 158 Cb 0.70 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.40 1g3i h ASP 158 CO -0.00 0.00 -2.41 -0.38 -1.57 0.00 0.00 179.24 174.88 1g3i n ILE 159 N -3.01 1.42 -3.17 0.35 5.41 0.53 -4.94 119.36 115.94 1g3i n ILE 159 Ca 0.04 -0.72 -0.39 0.00 1.00 0.00 0.00 62.75 62.68 1g3i n ILE 159 Cb 0.51 -0.89 -0.06 0.00 -0.71 0.00 0.00 39.64 38.50 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 4.89 0.00 -0.60 0.00 -1.51 -1.89 -2.83 116.25 114.31 1g3i h VAL 161 Ca -0.38 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 1g3i h VAL 161 Cb 1.17 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1g3i h VAL 161 CO 0.76 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 177.59 1g3i n PHE 162 N -2.74 1.62 -4.15 5.19 3.72 -1.26 -4.90 117.46 114.94 1g3i n PHE 162 Ca 0.02 -0.66 -0.16 0.00 -0.05 0.00 0.00 57.45 56.60 1g3i n PHE 162 Cb 0.35 -0.33 -0.15 0.00 -0.94 0.00 0.00 39.48 38.42 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 -2.17 0.42 0.17 4.37 2.01 -1.07 -3.11 115.64 116.26 1g3i s THR 163 Ca 0.51 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1g3i s THR 163 Cb 0.35 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 72.50 1g3i s THR 163 CO 0.21 0.13 0.13 -0.46 -0.69 0.00 0.00 174.62 173.94 1g3i n ASN 164 N 3.17 1.55 -0.21 3.53 2.04 -1.26 -4.65 115.26 119.43 1g3i n ASN 164 Ca -0.16 -1.60 0.08 0.00 -0.44 0.00 0.00 54.58 52.47 1g3i n ASN 164 Cb 0.57 -0.01 -0.04 0.00 -2.53 0.00 0.00 39.78 37.77 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 -0.90 0.00 -2.30 5.53 -2.24 -1.26 -4.63 114.28 108.48 1g3i n THR 165 Ca -0.01 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 1g3i n THR 165 Cb 0.20 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 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 -2.15 5.98 0.52 3.42 3.84 -1.26 -4.95 114.94 120.34 1g3i s ASN 166 Ca 0.10 0.39 0.04 0.00 0.21 0.00 0.00 52.86 53.61 1g3i s ASN 166 Cb 0.12 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.32 1g3i s ASN 166 CO 0.51 -1.80 0.71 -0.36 -2.79 0.00 0.00 177.10 173.37 1g3i s PHE 167 N 6.56 2.66 -0.19 0.43 2.99 -1.26 -2.21 117.98 126.97 1g3i s PHE 167 Ca 0.57 -0.22 -0.04 0.00 0.00 0.00 0.00 56.93 57.24 1g3i s PHE 167 Cb -0.12 -2.60 0.09 0.00 0.00 0.00 0.00 43.02 40.39 1g3i s PHE 167 CO 0.25 -0.78 0.24 0.99 -0.00 0.00 0.00 175.22 175.92 1g3i s THR 168 N -2.63 -0.35 -0.08 0.64 2.01 -0.81 -4.94 115.64 109.48 1g3i s THR 168 Ca 0.57 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.58 1g3i s THR 168 Cb -0.10 -0.63 0.01 0.00 0.01 0.00 0.00 72.50 71.80 1g3i s THR 168 CO 0.37 -0.13 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.40 1g3i s ILE 169 N 2.35 1.30 -0.10 1.82 1.01 -1.26 -2.52 121.20 123.80 1g3i s ILE 169 Ca 0.06 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1g3i s ILE 169 Cb -0.15 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.15 1g3i s ILE 169 CO -0.11 0.39 -0.20 -1.61 0.00 0.00 0.00 174.94 173.41 1g3i s GLU 170 N 0.67 2.63 0.27 2.79 0.41 -0.92 -5.02 118.70 119.54 1g3i s GLU 170 Ca -0.14 -0.72 0.11 0.00 -0.41 0.00 0.00 54.97 53.80 1g3i s GLU 170 Cb -0.16 -2.08 -0.05 0.00 -1.78 0.00 0.00 34.13 30.06 1g3i s GLU 170 CO 0.04 0.06 -0.08 -1.83 -0.49 0.00 0.00 175.26 172.95 1g3i s GLU 171 N 0.64 2.04 -0.53 1.61 -1.05 -1.26 -1.30 118.70 118.85 1g3i s GLU 171 Ca -0.13 -1.57 -0.05 0.00 -0.15 0.00 0.00 54.97 53.07 1g3i s GLU 171 Cb -0.16 -2.00 0.14 0.00 -0.44 0.00 0.00 34.13 31.67 1g3i s GLU 171 CO 0.03 0.34 0.36 -0.51 0.95 0.00 0.00 175.26 176.44 1g3i s LEU 172 N -3.61 5.45 0.00 1.83 1.43 0.10 -4.99 118.68 118.89 1g3i s LEU 172 Ca 0.31 -2.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.06 1g3i s LEU 172 Cb -0.06 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1g3i s LEU 172 CO 0.18 -0.51 0.40 -0.81 0.23 0.00 0.00 176.35 175.84