#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 -0.45 -0.23 12.58 2.01 -1.26 -1.60 115.64 126.69 1g3i s THR 2 Ca 0.00 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1g3i s THR 2 Cb 0.00 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.72 1g3i s THR 2 CO 0.00 -0.25 -0.09 -0.63 -0.69 0.00 0.00 174.62 172.96 1g3i s ILE 3 N 2.42 2.80 0.05 1.82 -1.09 -0.30 -2.80 121.20 124.10 1g3i s ILE 3 Ca 0.09 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 57.70 1g3i s ILE 3 Cb -0.15 -2.34 -0.02 0.00 -1.58 0.00 0.00 42.46 38.37 1g3i s ILE 3 CO -0.19 0.33 -0.17 0.54 -1.23 0.00 0.00 174.94 174.22 1g3i s VAL 4 N 1.35 1.32 -0.04 2.92 0.11 0.01 -0.09 120.40 125.99 1g3i s VAL 4 Ca 0.03 -1.15 -0.00 0.00 -2.93 0.00 0.00 61.98 57.92 1g3i s VAL 4 Cb -0.15 -1.19 0.03 0.00 -1.53 0.00 0.00 36.38 33.53 1g3i s VAL 4 CO -0.06 0.02 0.02 -0.55 -3.33 0.00 0.00 175.10 171.20 1g3i s SER 5 N -1.31 0.80 0.02 3.54 0.15 0.53 -1.16 113.70 116.27 1g3i s SER 5 Ca 0.03 -0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.75 1g3i s SER 5 Cb -0.09 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 63.96 1g3i s SER 5 CO 0.02 -0.15 -0.23 -0.69 1.20 0.00 0.00 173.24 173.38 1g3i s VAL 6 N 1.47 2.35 -0.20 4.45 1.01 -1.10 0.08 120.40 128.46 1g3i s VAL 6 Ca -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1g3i s VAL 6 Cb -0.13 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1g3i s VAL 6 CO -0.03 0.45 -0.06 -0.60 0.00 0.00 0.00 175.10 174.85 1g3i s ARG 7 N -1.05 1.64 -0.24 2.72 3.52 -1.16 -2.22 118.95 122.16 1g3i s ARG 7 Ca 0.12 -0.79 -0.13 0.00 -0.13 0.00 0.00 55.73 54.80 1g3i s ARG 7 Cb -0.10 -2.36 0.08 0.00 -1.56 0.00 0.00 34.95 31.01 1g3i s ARG 7 CO 0.02 -0.50 0.58 1.03 -0.81 0.00 0.00 175.30 175.62 1g3i s ARG 8 N 1.48 0.58 -0.40 5.12 1.81 -0.75 -4.86 118.95 121.93 1g3i s ARG 8 Ca -0.02 1.08 -0.01 0.00 -1.72 0.00 0.00 55.73 55.06 1g3i s ARG 8 Cb -0.17 0.13 -0.01 0.00 -0.45 0.00 0.00 34.95 34.45 1g3i s ARG 8 CO -0.07 -0.16 0.34 0.09 -0.68 0.00 0.00 175.30 174.82 1g3i n ASN 9 N 4.39 -2.60 -0.54 0.23 4.13 -1.26 -3.23 115.26 116.38 1g3i n ASN 9 Ca -0.20 -0.23 -0.06 0.00 1.68 0.00 0.00 54.58 55.77 1g3i n ASN 9 Cb 0.57 -2.15 -0.02 0.00 -1.54 0.00 0.00 39.78 36.64 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 -1.18 0.53 3.55 7.41 0.00 -1.26 -4.91 105.19 109.34 1g3i n GLY 10 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1g3i n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g3i s GLN 11 N -2.09 3.19 -0.11 1.61 -1.52 -1.20 -4.78 119.66 114.76 1g3i s GLN 11 Ca 0.00 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 52.89 1g3i s GLN 11 Cb 0.00 -2.75 0.02 0.00 -0.22 0.00 0.00 33.01 30.06 1g3i s GLN 11 CO 0.00 0.48 -0.10 0.08 -0.25 0.00 0.00 175.29 175.50 1g3i s VAL 12 N -0.29 1.16 0.11 1.09 1.01 -1.23 -1.82 120.40 120.43 1g3i s VAL 12 Ca 0.05 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1g3i s VAL 12 Cb -0.13 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1g3i s VAL 12 CO 0.02 0.39 -0.20 -0.69 0.00 0.00 0.00 175.10 174.62 1g3i s VAL 13 N 1.51 1.68 -0.22 2.92 1.01 -0.94 -1.10 120.40 125.25 1g3i s VAL 13 Ca 0.02 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 1g3i s VAL 13 Cb -0.13 -1.57 0.09 0.00 0.00 0.00 0.00 36.38 34.78 1g3i s VAL 13 CO -0.07 -0.12 0.19 -0.69 0.00 0.00 0.00 175.10 174.41 1g3i s VAL 14 N -1.33 -0.24 0.27 2.92 1.01 -0.21 -2.70 120.40 120.12 1g3i s VAL 14 Ca 0.07 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.87 1g3i s VAL 14 Cb -0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1g3i s VAL 14 CO 0.04 -0.34 0.01 -0.83 0.00 0.00 0.00 175.10 173.99 1g3i s GLY 15 N 2.25 1.68 -0.05 4.51 0.00 -0.31 -2.64 107.32 112.77 1g3i s GLY 15 Ca 0.06 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.82 1g3i s GLY 15 CO -0.18 -1.72 0.77 -0.32 0.00 0.00 0.00 173.10 171.65 1g3i s GLY 16 N -3.69 -0.49 0.00 0.20 0.00 -1.20 -0.81 107.32 101.32 1g3i s GLY 16 Ca 0.32 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.41 1g3i s GLY 16 CO 0.20 0.82 0.00 2.09 0.00 0.00 0.00 173.10 176.21 1g3i n ASP 17 N 0.59 0.00 -2.10 1.64 5.75 -1.12 -1.85 116.55 119.46 1g3i n ASP 17 Ca -0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.60 1g3i n ASP 17 Cb 0.59 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.75 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 1.92 1.27 3.32 6.12 0.00 -1.02 -4.08 105.19 112.72 1g3i n GLY 18 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1g3i n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g3i s GLN 19 N 0.08 2.76 -0.73 1.61 0.74 -1.26 0.31 119.66 123.17 1g3i s GLN 19 Ca 0.06 -1.41 -0.24 0.00 0.05 0.00 0.00 55.36 53.81 1g3i s GLN 19 Cb 0.29 -3.92 0.05 0.00 1.10 0.00 0.00 33.01 30.53 1g3i s GLN 19 CO -0.08 -0.98 1.15 0.08 -0.55 0.00 0.00 175.29 174.91 1g3i s VAL 20 N 1.51 4.03 -0.08 1.34 1.01 0.23 -4.62 120.40 123.84 1g3i s VAL 20 Ca 0.03 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 1g3i s VAL 20 Cb -0.23 -4.82 -0.05 0.00 0.00 0.00 0.00 36.38 31.27 1g3i s VAL 20 CO 0.04 -1.68 0.43 -0.44 0.00 0.00 0.00 175.10 173.45 1g3i s SER 21 N 3.79 6.71 -0.29 3.32 0.01 -1.26 -1.34 113.70 124.64 1g3i s SER 21 Ca 0.30 0.84 0.01 0.00 1.31 0.00 0.00 55.95 58.42 1g3i s SER 21 Cb -0.11 -2.26 0.08 0.00 0.21 0.00 0.00 66.02 63.94 1g3i s SER 21 CO 0.10 0.14 0.02 -0.22 0.41 0.00 0.00 173.24 173.69 1g3i s LEU 22 N -0.06 3.11 0.00 2.44 2.96 -0.76 -4.92 118.68 121.45 1g3i s LEU 22 Ca 0.24 -1.59 0.00 0.00 -0.22 0.00 0.00 54.13 52.56 1g3i s LEU 22 Cb -0.16 -1.22 0.00 0.00 0.50 0.00 0.00 46.19 45.31 1g3i s LEU 22 CO 0.11 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1g3i n GLY 23 N 4.60 2.07 0.04 7.98 0.00 -1.26 -1.95 105.19 116.67 1g3i n GLY 23 Ca -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 9.92 1.79 -4.94 1.61 3.02 -1.26 -5.04 115.26 120.35 1g3i n ASN 24 Ca 0.00 -2.14 -0.25 0.00 -0.03 0.00 0.00 54.58 52.16 1g3i n ASN 24 Cb 0.00 -0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.08 1g3i n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1g3i s THR 25 N -1.28 1.72 -0.22 3.41 -4.23 -0.82 -5.12 115.64 109.09 1g3i s THR 25 Ca 0.07 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1g3i s THR 25 Cb 0.06 -2.08 0.06 0.00 1.34 0.00 0.00 72.50 71.88 1g3i s THR 25 CO 0.01 0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.34 1g3i s VAL 26 N -2.76 1.45 0.05 2.29 1.01 -1.26 -1.83 120.40 119.34 1g3i s VAL 26 Ca 0.41 -1.09 0.13 0.00 0.00 0.00 0.00 61.98 61.42 1g3i s VAL 26 Cb -0.03 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1g3i s VAL 26 CO 0.26 -0.04 1.47 -0.03 0.00 0.00 0.00 175.10 176.75 1g3i h MET 27 N 7.99 0.00 -1.43 2.72 -1.53 -1.56 -3.47 114.93 117.65 1g3i h MET 27 Ca -0.20 0.00 0.11 0.00 -3.44 0.00 0.00 59.70 56.18 1g3i h MET 27 Cb 1.08 0.00 -0.28 0.00 -0.55 0.00 0.00 31.60 31.85 1g3i h MET 27 CO 0.42 0.65 0.55 0.21 0.14 0.00 0.00 176.91 178.87 1g3i s LYS 28 N -3.09 0.34 -0.33 0.39 2.20 -1.20 -5.01 119.74 113.04 1g3i s LYS 28 Ca 0.02 0.46 0.06 0.00 -0.36 0.00 0.00 55.97 56.15 1g3i s LYS 28 Cb 0.10 0.13 0.45 0.00 -1.51 0.00 0.00 37.83 37.00 1g3i s LYS 28 CO 0.76 -0.05 1.21 0.41 -0.36 0.00 0.00 175.35 177.32 1g3i n GLY 29 N 2.59 6.32 0.00 5.54 0.00 -1.25 0.77 105.19 119.15 1g3i n GLY 29 Ca -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.21 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 -0.68 0.00 -4.30 1.61 0.23 0.15 -4.65 115.26 107.62 1g3i n ASN 30 Ca 0.44 -0.73 -0.36 0.00 -0.53 0.00 0.00 54.58 53.40 1g3i n ASN 30 Cb 0.90 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.67 1g3i n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1g3i n ALA 31 N 0.00 -3.03 -2.56 -2.53 0.00 -1.07 -4.87 120.51 106.45 1g3i n ALA 31 Ca 0.00 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.62 1g3i n ALA 31 Cb 0.18 -1.59 -0.10 0.00 0.00 0.00 0.00 19.45 17.95 1g3i n ALA 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1g3i s ARG 32 N -2.51 3.66 0.00 0.00 0.52 -1.26 -4.24 118.95 115.12 1g3i s ARG 32 Ca 0.56 -0.36 0.23 0.00 -0.52 0.00 0.00 55.73 55.64 1g3i s ARG 32 Cb -0.29 -3.77 0.10 0.00 0.52 0.00 0.00 34.95 31.50 1g3i s ARG 32 CO 0.68 -0.45 1.14 1.63 0.02 0.00 0.00 175.30 178.32 1g3i n LYS 33 N 5.33 0.80 -3.95 3.54 5.02 -1.26 -4.81 118.16 122.84 1g3i n LYS 33 Ca -0.10 -0.63 -0.28 0.00 -2.02 0.00 0.00 58.31 55.28 1g3i n LYS 33 Cb 0.50 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.63 1.27 0.42 -0.18 1.01 -1.26 -1.72 120.40 117.32 1g3i s VAL 34 Ca 0.17 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1g3i s VAL 34 Cb 0.18 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1g3i s VAL 34 CO 0.64 0.35 0.13 -0.13 0.00 0.00 0.00 175.10 176.08 1g3i s ARG 35 N 1.60 2.14 -0.12 2.72 1.81 0.10 -4.93 118.95 122.27 1g3i s ARG 35 Ca 0.04 -1.97 -0.02 0.00 -1.72 0.00 0.00 55.73 52.05 1g3i s ARG 35 Cb -0.13 -1.85 -0.03 0.00 -0.45 0.00 0.00 34.95 32.49 1g3i s ARG 35 CO -0.09 -0.14 -0.03 1.03 -0.68 0.00 0.00 175.30 175.39 1g3i s ARG 36 N -3.86 3.32 0.12 3.54 0.52 -1.26 -1.55 118.95 119.79 1g3i s ARG 36 Ca 0.36 -0.49 0.10 0.00 -0.52 0.00 0.00 55.73 55.18 1g3i s ARG 36 Cb 0.05 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1g3i s ARG 36 CO 0.20 0.45 -0.24 -0.51 0.02 0.00 0.00 175.30 175.21 1g3i s LEU 37 N -0.19 2.32 -0.74 2.53 1.43 -0.21 -4.80 118.68 119.01 1g3i s LEU 37 Ca 0.04 -0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1g3i s LEU 37 Cb -0.13 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1g3i s LEU 37 CO 0.02 0.13 0.65 0.00 0.23 0.00 0.00 176.35 177.38 1g3i n TYR 38 N 0.94 -1.67 -0.53 0.29 4.19 -1.26 -1.86 117.16 117.25 1g3i n TYR 38 Ca -0.18 0.60 0.00 0.00 3.31 0.00 0.00 57.90 61.63 1g3i n TYR 38 Cb 0.53 -3.71 0.00 0.00 0.49 0.00 0.00 39.34 36.65 1g3i n TYR 38 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1g3i n ASN 39 N -2.66 -2.78 0.00 2.98 3.02 -1.26 -1.44 115.26 113.12 1g3i n ASN 39 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1g3i n ASN 39 Cb 0.59 -2.10 0.00 0.00 -0.61 0.00 0.00 39.78 37.66 1g3i n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g3i n GLY 40 N 0.29 1.96 0.10 7.41 0.00 -1.15 -5.04 105.19 108.76 1g3i n GLY 40 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1g3i n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g3i n LYS 41 N -0.30 0.68 -4.37 1.61 4.01 -0.52 -4.98 118.16 114.28 1g3i n LYS 41 Ca 0.00 0.08 -0.21 0.00 -0.51 0.00 0.00 58.31 57.67 1g3i n LYS 41 Cb 0.00 -1.58 -0.13 0.00 -0.51 0.00 0.00 35.03 32.81 1g3i n LYS 41 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1g3i s VAL 42 N -2.52 1.26 -0.11 -0.18 -7.23 -0.78 -4.28 120.40 106.56 1g3i s VAL 42 Ca -0.12 -1.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.88 1g3i s VAL 42 Cb 0.07 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1g3i s VAL 42 CO 0.80 0.00 0.12 -0.76 -0.31 0.00 0.00 175.10 174.96 1g3i s LEU 43 N -1.28 4.25 -0.03 1.32 1.43 0.13 -1.05 118.68 123.44 1g3i s LEU 43 Ca 0.02 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1g3i s LEU 43 Cb -0.08 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.12 1g3i s LEU 43 CO 0.02 0.40 0.01 0.00 0.23 0.00 0.00 176.35 177.00 1g3i s ALA 44 N -1.02 0.28 -0.11 4.21 0.00 -0.59 -1.13 121.76 123.41 1g3i s ALA 44 Ca 0.15 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1g3i s ALA 44 Cb -0.12 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1g3i s ALA 44 CO 0.04 -0.11 -0.15 0.20 0.00 0.00 0.00 175.76 175.73 1g3i s GLY 45 N 1.12 1.06 0.18 0.00 0.00 0.44 0.00 107.32 110.12 1g3i s GLY 45 Ca -0.08 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 43.96 1g3i s GLY 45 CO -0.02 0.22 0.02 -0.11 0.00 0.00 0.00 173.10 173.21 1g3i s PHE 46 N 0.99 2.86 -0.23 1.90 -0.71 -0.70 -0.14 117.98 121.96 1g3i s PHE 46 Ca -0.06 -0.13 -0.09 0.00 -1.04 0.00 0.00 56.93 55.61 1g3i s PHE 46 Cb -0.15 -1.37 0.10 0.00 -1.21 0.00 0.00 43.02 40.39 1g3i s PHE 46 CO -0.02 0.53 0.51 0.00 -1.34 0.00 0.00 175.22 174.90 1g3i s ALA 47 N -1.79 -1.47 0.00 1.99 0.00 -0.70 -4.88 121.76 114.91 1g3i s ALA 47 Ca 0.28 1.83 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1g3i s ALA 47 Cb -0.09 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1g3i s ALA 47 CO 0.19 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1g3i n GLY 48 N 5.24 -0.23 3.63 0.00 0.00 -1.26 -0.58 105.19 111.98 1g3i n GLY 48 Ca -0.12 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 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 1.47 0.00 -0.02 0.00 -0.05 -4.84 107.32 103.89 1g3i s GLY 49 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1g3i s GLY 49 CO 0.00 2.31 0.00 -1.30 0.00 0.00 0.00 173.10 174.11 1g3i n THR 50 N 6.17 0.00 0.00 0.90 -2.24 -1.26 0.68 114.28 118.53 1g3i n THR 50 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1g3i n THR 50 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1g3i n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g3i n ALA 51 N -3.19 -0.24 0.06 6.98 0.00 -1.26 -3.15 120.51 119.71 1g3i n ALA 51 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1g3i n ALA 51 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.53 0.12 0.20 0.00 9.92 0.84 -0.67 116.55 125.42 1g3i n ASP 52 Ca 0.00 0.39 -0.10 0.00 -0.53 0.00 0.00 54.79 54.55 1g3i n ASP 52 Cb 0.00 -0.37 -0.05 0.00 -0.64 0.00 0.00 41.12 40.06 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 1.16 -0.58 -0.32 2.24 0.00 0.30 -3.15 119.26 118.91 1g3i h ALA 53 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1g3i h ALA 53 Cb 0.49 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1g3i h ALA 53 CO 0.00 -0.56 0.07 0.74 0.00 0.00 0.00 179.25 179.50 1g3i h PHE 54 N -1.10 0.55 -0.02 0.00 0.05 -0.85 -0.84 116.94 114.72 1g3i h PHE 54 Ca -0.06 -0.07 0.00 0.00 3.82 0.00 0.00 57.97 61.67 1g3i h PHE 54 Cb 0.50 -0.15 -0.00 0.00 2.00 0.00 0.00 35.95 38.30 1g3i h PHE 54 CO 0.01 0.57 0.36 1.79 -0.18 0.00 0.00 178.31 180.87 1g3i h THR 55 N 0.37 0.02 0.00 -1.55 1.35 -1.33 0.50 112.91 112.25 1g3i h THR 55 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1g3i h THR 55 Cb 0.31 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1g3i h THR 55 CO 0.00 0.00 -1.67 -0.11 -0.25 0.00 0.00 175.52 173.49 1g3i n LEU 56 N -2.91 0.08 -0.06 3.87 0.00 -0.91 -3.60 117.00 113.47 1g3i n LEU 56 Ca -0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 56.01 55.81 1g3i n LEU 56 Cb 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.71 1g3i n LEU 56 CO 0.13 0.02 0.44 0.15 0.00 0.00 0.00 177.39 178.14 1g3i h PHE 57 N 0.00 -0.00 0.00 1.96 3.57 0.12 -3.05 116.94 119.54 1g3i h PHE 57 Ca 0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1g3i h PHE 57 Cb 0.73 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1g3i h PHE 57 CO 0.00 0.89 -0.03 0.93 -2.23 0.00 0.00 178.31 177.87 1g3i h GLU 58 N -0.89 0.00 0.00 1.11 4.39 -0.64 -2.29 114.58 116.26 1g3i h GLU 58 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1g3i h GLU 58 Cb 0.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1g3i h GLU 58 CO 0.00 0.03 -0.14 1.25 -1.16 0.00 0.00 179.01 178.99 1g3i h LEU 59 N 0.00 0.00 0.00 1.33 5.85 -1.62 -3.07 115.31 117.81 1g3i h LEU 59 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1g3i h LEU 59 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1g3i h LEU 59 CO 0.00 0.01 -1.35 0.33 -0.34 0.00 0.00 178.44 177.09 1g3i n PHE 60 N -2.65 0.14 -0.02 1.25 7.35 -0.90 -3.82 117.46 118.81 1g3i n PHE 60 Ca 0.04 0.04 -0.17 0.00 -0.76 0.00 0.00 57.45 56.60 1g3i n PHE 60 Cb 0.49 -0.37 -0.09 0.00 0.35 0.00 0.00 39.48 39.86 1g3i n PHE 60 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1g3i h GLU 61 N 0.00 0.57 0.44 -4.13 4.81 -1.39 -2.92 114.58 111.96 1g3i h GLU 61 Ca 0.00 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1g3i h GLU 61 Cb 0.78 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1g3i h GLU 61 CO 0.00 1.12 -0.50 0.00 -0.73 0.00 0.00 179.01 178.90 1g3i h ARG 62 N 0.19 -0.92 0.00 1.92 3.08 -1.67 -0.26 114.38 116.71 1g3i h ARG 62 Ca -0.05 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1g3i h ARG 62 Cb 1.27 0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.53 1g3i h ARG 62 CO 0.13 -0.61 0.08 1.63 -1.07 0.00 0.00 179.97 180.12 1g3i n LYS 63 N -5.55 0.00 -0.12 0.04 4.01 -1.23 -0.77 118.16 114.55 1g3i n LYS 63 Ca -0.11 0.38 -0.23 0.00 -0.51 0.00 0.00 58.31 57.84 1g3i n LYS 63 Cb 0.45 -1.58 -0.09 0.00 -0.51 0.00 0.00 35.03 33.30 1g3i n LYS 63 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1g3i n LEU 64 N -1.37 1.90 0.24 -0.35 4.77 -0.25 -3.81 117.00 118.14 1g3i n LEU 64 Ca 0.00 0.40 0.07 0.00 -0.03 0.00 0.00 56.01 56.44 1g3i n LEU 64 Cb 0.08 -0.88 0.57 0.00 -2.33 0.00 0.00 43.42 40.86 1g3i n LEU 64 CO 0.00 0.30 0.97 -0.33 -1.33 0.00 0.00 177.39 177.00 1g3i h GLU 65 N -1.00 0.00 -0.10 3.23 5.08 -0.54 -0.23 114.58 121.03 1g3i h GLU 65 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1g3i h GLU 65 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1g3i h GLU 65 CO -0.27 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 177.85 1g3i n MET 66 N -4.39 1.30 -2.28 2.33 0.00 0.05 -3.97 117.12 110.16 1g3i n MET 66 Ca -0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 57.70 57.22 1g3i n MET 66 Cb 0.18 -1.23 0.05 0.00 0.00 0.00 0.00 33.22 32.22 1g3i n MET 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1g3i n HIS 67 N -0.24 0.16 -2.81 3.17 -0.00 -0.15 -5.01 115.22 110.33 1g3i n HIS 67 Ca 0.10 -1.48 -0.14 0.00 -0.00 0.00 0.00 57.72 56.20 1g3i n HIS 67 Cb 0.14 0.22 -0.01 0.00 -0.00 0.00 0.00 29.99 30.35 1g3i n HIS 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1g3i n GLN 68 N -0.46 -2.71 -2.11 -0.41 6.02 -1.13 -1.18 117.38 115.40 1g3i n GLN 68 Ca -0.02 0.41 -0.12 0.00 -0.01 0.00 0.00 57.00 57.26 1g3i n GLN 68 Cb 0.89 -5.02 -0.01 0.00 1.02 0.00 0.00 30.24 27.11 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 -0.86 0.07 3.46 1.08 0.00 -0.85 -4.93 105.19 103.16 1g3i n GLY 69 Ca -0.06 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1g3i n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1g3i n HIS 70 N -3.83 4.64 0.00 1.61 8.25 -0.33 -4.90 115.22 120.66 1g3i n HIS 70 Ca -0.14 -3.02 0.00 0.00 -0.26 0.00 0.00 57.72 54.30 1g3i n HIS 70 Cb 0.58 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 29.23 1g3i n HIS 70 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1g3i n LEU 71 N 7.18 0.00 -0.36 2.41 7.94 -1.26 -0.40 117.00 132.51 1g3i n LEU 71 Ca 0.45 0.24 0.31 0.00 -1.11 0.00 0.00 56.01 55.90 1g3i n LEU 71 Cb 0.44 0.00 0.48 0.00 0.53 0.00 0.00 43.42 44.87 1g3i n LEU 71 CO 0.73 0.00 1.04 -0.11 -1.11 0.00 0.00 177.39 177.94 1g3i n LEU 72 N -0.52 0.00 -0.06 -1.96 7.94 -1.26 -0.78 117.00 120.36 1g3i n LEU 72 Ca 0.00 0.66 -0.04 0.00 -1.11 0.00 0.00 56.01 55.52 1g3i n LEU 72 Cb 0.00 -0.29 -0.01 0.00 0.53 0.00 0.00 43.42 43.65 1g3i n LEU 72 CO 0.00 -0.66 -0.31 0.29 -1.11 0.00 0.00 177.39 175.60 1g3i n LYS 73 N -3.12 0.38 -0.52 1.96 4.76 -0.54 -3.85 118.16 117.23 1g3i n LYS 73 Ca 0.26 0.46 0.43 0.00 -2.87 0.00 0.00 58.31 56.59 1g3i n LYS 73 Cb 1.35 -1.52 0.70 0.00 -1.84 0.00 0.00 35.03 33.72 1g3i n LYS 73 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1g3i n SER 74 N -4.22 0.15 0.43 4.39 3.41 0.47 0.10 113.62 118.35 1g3i n SER 74 Ca -0.06 1.26 -0.17 0.00 -0.26 0.00 0.00 58.87 59.63 1g3i n SER 74 Cb 0.24 -0.62 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 1g3i n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3i h ALA 75 N 1.40 -1.18 -1.00 7.33 0.00 -1.47 -1.82 119.26 122.52 1g3i h ALA 75 Ca 0.88 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.70 1g3i h ALA 75 Cb 3.01 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 21.13 1g3i h ALA 75 CO -0.34 -1.10 0.62 0.28 0.00 0.00 0.00 179.25 178.71 1g3i h VAL 76 N -1.21 0.81 -0.23 0.00 2.07 0.56 0.33 116.25 118.58 1g3i h VAL 76 Ca -0.11 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1g3i h VAL 76 Cb 0.84 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1g3i h VAL 76 CO 0.19 0.16 -0.08 -0.33 0.02 0.00 0.00 177.57 177.52 1g3i h GLU 77 N 0.87 0.36 -0.08 1.57 5.08 -0.87 -0.93 114.58 120.58 1g3i h GLU 77 Ca 0.54 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.78 1g3i h GLU 77 Cb 0.71 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1g3i h GLU 77 CO -0.32 0.45 -0.09 1.25 -1.00 0.00 0.00 179.01 179.30 1g3i h LEU 78 N 0.34 0.22 0.03 1.33 5.85 0.46 -3.26 115.31 120.28 1g3i h LEU 78 Ca 0.07 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1g3i h LEU 78 Cb 0.36 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1g3i h LEU 78 CO 0.02 0.67 -0.36 0.00 -0.34 0.00 0.00 178.44 178.43 1g3i h ALA 79 N 0.55 -0.57 -1.48 1.25 0.00 -0.75 -1.53 119.26 116.73 1g3i h ALA 79 Ca 0.01 -0.04 0.43 0.00 0.00 0.00 0.00 54.91 55.31 1g3i h ALA 79 Cb 0.62 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1g3i h ALA 79 CO 0.02 -0.89 1.16 1.57 0.00 0.00 0.00 179.25 181.11 1g3i h LYS 80 N -0.54 0.00 0.00 0.00 5.09 -1.22 0.52 116.57 120.42 1g3i h LYS 80 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.79 1g3i h LYS 80 Cb 0.61 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.94 1g3i h LYS 80 CO -0.27 0.00 0.00 -0.44 -2.09 0.00 0.00 179.45 176.65 1g3i h ASP 81 N 0.00 0.00 0.00 7.07 3.45 -1.33 -1.30 116.42 124.31 1g3i h ASP 81 Ca 0.70 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.16 1g3i h ASP 81 Cb 3.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.79 1g3i h ASP 81 CO -0.01 0.00 -1.45 0.79 -1.57 0.00 0.00 179.24 177.00 1g3i n TRP 82 N -2.86 0.00 -2.73 4.55 8.01 0.18 -3.99 117.44 120.60 1g3i n TRP 82 Ca -0.01 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.77 1g3i n TRP 82 Cb 0.13 -0.23 0.01 0.00 -2.01 0.00 0.00 31.31 29.21 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 -1.85 5.13 0.00 -0.99 1.74 -0.49 -4.79 116.66 115.41 1g3i n ARG 83 Ca 0.00 -4.66 0.00 0.00 -0.77 0.00 0.00 57.85 52.42 1g3i n ARG 83 Cb 0.43 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 1g3i n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1g3i n THR 84 N 0.20 0.00 -0.02 0.55 -2.24 -1.26 -4.96 114.28 106.56 1g3i n THR 84 Ca 0.42 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.24 1g3i n THR 84 Cb 0.28 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.42 1g3i n THR 84 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1g3i n ASP 85 N 0.00 2.18 -3.89 3.42 9.92 -1.26 -4.78 116.55 122.14 1g3i n ASP 85 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1g3i n ASP 85 Cb 0.00 1.39 -0.15 0.00 -0.64 0.00 0.00 41.12 41.73 1g3i n ASP 85 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1g3i s ARG 86 N -2.73 1.34 1.04 -1.24 3.52 -1.26 -5.12 118.95 114.50 1g3i s ARG 86 Ca -0.05 -1.82 -0.15 0.00 -0.13 0.00 0.00 55.73 53.59 1g3i s ARG 86 Cb 0.07 -2.80 0.21 0.00 -1.56 0.00 0.00 34.95 30.87 1g3i s ARG 86 CO 0.50 -1.01 1.13 0.00 -0.81 0.00 0.00 175.30 175.11 1g3i s ALA 87 N 0.81 1.13 -0.82 6.12 0.00 -1.26 -4.93 121.76 122.80 1g3i s ALA 87 Ca 0.13 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1g3i s ALA 87 Cb -0.20 -3.00 0.25 0.00 0.00 0.00 0.00 23.12 20.17 1g3i s ALA 87 CO -0.10 -2.92 0.93 -0.11 0.00 0.00 0.00 175.76 173.56 1g3i n LEU 88 N -4.23 4.50 0.00 0.00 0.00 -1.26 -5.03 117.00 110.98 1g3i n LEU 88 Ca 0.09 -5.29 0.00 0.00 0.00 0.00 0.00 56.01 50.80 1g3i n LEU 88 Cb 0.59 -0.94 0.00 0.00 0.00 0.00 0.00 43.42 43.07 1g3i n LEU 88 CO 0.53 1.82 0.00 0.54 0.00 0.00 0.00 177.39 180.28 1g3i n ARG 89 N 1.42 0.00 0.00 1.96 1.74 -1.26 -4.68 116.66 115.84 1g3i n ARG 89 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1g3i n ARG 89 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 1g3i n ARG 89 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1g3i n LYS 90 N 8.42 0.00 -4.26 5.56 -0.00 -1.26 -5.06 118.16 121.56 1g3i n LYS 90 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 1g3i n LYS 90 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 34.87 1g3i n LYS 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1g3i s LEU 91 N 0.00 2.22 -1.15 -5.58 1.02 -0.30 -5.02 118.68 109.87 1g3i s LEU 91 Ca 0.00 -0.60 -0.20 0.00 0.02 0.00 0.00 54.13 53.35 1g3i s LEU 91 Cb 0.00 -1.50 -0.04 0.00 0.02 0.00 0.00 46.19 44.66 1g3i s LEU 91 CO 0.00 0.02 1.94 -0.62 0.02 0.00 0.00 176.35 177.72 1g3i n GLU 92 N 4.47 2.21 0.00 1.70 -0.58 -1.26 -3.67 120.64 123.51 1g3i n GLU 92 Ca -0.20 -2.52 0.00 0.00 -0.42 0.00 0.00 57.16 54.02 1g3i n GLU 92 Cb 0.51 -3.36 0.00 0.00 -0.57 0.00 0.00 31.44 28.01 1g3i n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g3i n ALA 93 N 9.41 0.00 -2.76 0.62 0.00 -1.26 -0.87 120.51 125.64 1g3i n ALA 93 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.79 1g3i n ALA 93 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 1g3i n ALA 93 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1g3i s MET 94 N -2.00 0.60 0.01 0.00 -1.94 0.26 -1.55 119.30 114.67 1g3i s MET 94 Ca 0.00 -0.85 0.08 0.00 -1.71 0.00 0.00 55.69 53.21 1g3i s MET 94 Cb 0.00 -0.35 -0.02 0.00 2.01 0.00 0.00 34.83 36.47 1g3i s MET 94 CO 0.00 0.06 -0.24 -1.17 -0.01 0.00 0.00 175.02 173.66 1g3i s LEU 95 N -1.77 2.10 -0.25 -0.03 2.96 0.11 -1.72 118.68 120.07 1g3i s LEU 95 Ca -0.06 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1g3i s LEU 95 Cb -0.08 -1.20 0.06 0.00 0.50 0.00 0.00 46.19 45.46 1g3i s LEU 95 CO 0.00 0.26 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.55 1g3i s ILE 96 N -0.66 2.16 -0.04 6.68 1.01 0.81 0.55 121.20 131.70 1g3i s ILE 96 Ca 0.10 -1.59 0.06 0.00 0.00 0.00 0.00 60.65 59.21 1g3i s ILE 96 Cb -0.09 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 1g3i s ILE 96 CO 0.00 0.00 -0.22 0.68 0.00 0.00 0.00 174.94 175.40 1g3i s VAL 97 N 1.11 2.34 -0.20 2.92 -7.23 -0.18 -0.42 120.40 118.74 1g3i s VAL 97 Ca -0.08 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.88 1g3i s VAL 97 Cb -0.20 -1.85 0.06 0.00 0.56 0.00 0.00 36.38 34.95 1g3i s VAL 97 CO -0.05 0.58 0.61 0.00 -0.31 0.00 0.00 175.10 175.93 1g3i s ALA 98 N -0.49 -1.53 0.21 1.32 0.00 -0.28 0.30 121.76 121.29 1g3i s ALA 98 Ca 0.06 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.68 1g3i s ALA 98 Cb -0.11 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.14 1g3i s ALA 98 CO 0.01 -0.30 0.05 -0.40 0.00 0.00 0.00 175.76 175.11 1g3i n ASP 99 N 2.48 1.57 0.34 0.00 3.85 0.17 0.17 116.55 125.12 1g3i n ASP 99 Ca -0.15 -2.02 0.15 0.00 -0.71 0.00 0.00 54.79 52.06 1g3i n ASP 99 Cb 0.56 0.38 0.78 0.00 -1.35 0.00 0.00 41.12 41.50 1g3i n ASP 99 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1g3i h GLU 100 N 0.00 0.00 0.00 0.11 4.11 -1.95 -3.22 114.58 113.63 1g3i h GLU 100 Ca -0.16 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.04 1g3i h GLU 100 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1g3i h GLU 100 CO 0.26 0.00 -1.68 0.36 0.07 0.00 0.00 179.01 178.02 1g3i n LYS 101 N -2.87 0.35 -4.67 1.06 2.85 -1.26 -5.04 118.16 108.58 1g3i n LYS 101 Ca -0.02 0.15 -0.33 0.00 -1.05 0.00 0.00 58.31 57.07 1g3i n LYS 101 Cb 0.41 -1.09 -0.07 0.00 -0.65 0.00 0.00 35.03 33.63 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 -2.35 2.21 -0.25 -1.58 0.41 -1.22 -5.15 118.70 110.77 1g3i s GLU 102 Ca -0.22 -2.38 -0.13 0.00 -0.41 0.00 0.00 54.97 51.83 1g3i s GLU 102 Cb 0.08 -1.59 0.08 0.00 -1.78 0.00 0.00 34.13 30.92 1g3i s GLU 102 CO 0.29 -0.41 0.60 -1.54 -0.49 0.00 0.00 175.26 173.71 1g3i s SER 103 N -3.93 -0.83 0.27 -0.19 1.04 -1.26 -0.66 113.70 108.14 1g3i s SER 103 Ca 0.07 1.34 0.05 0.00 0.48 0.00 0.00 55.95 57.90 1g3i s SER 103 Cb 0.01 1.35 -0.02 0.00 0.10 0.00 0.00 66.02 67.46 1g3i s SER 103 CO 0.04 -0.23 0.19 0.18 0.98 0.00 0.00 173.24 174.41 1g3i n LEU 104 N 4.52 0.00 -3.72 2.42 4.77 0.89 -4.49 117.00 121.39 1g3i n LEU 104 Ca -0.19 -2.42 -0.15 0.00 -0.03 0.00 0.00 56.01 53.21 1g3i n LEU 104 Cb 0.56 1.15 -0.15 0.00 -2.33 0.00 0.00 43.42 42.65 1g3i n LEU 104 CO 0.00 -0.39 -0.26 -0.51 -1.33 0.00 0.00 177.39 174.90 1g3i s ILE 105 N -2.96 -0.12 -0.08 -0.08 2.07 -1.10 -1.01 121.20 117.93 1g3i s ILE 105 Ca 0.27 0.27 0.03 0.00 -1.41 0.00 0.00 60.65 59.81 1g3i s ILE 105 Cb 0.01 -0.22 0.00 0.00 0.13 0.00 0.00 42.46 42.38 1g3i s ILE 105 CO 0.19 0.11 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.52 1g3i s ILE 106 N 1.62 1.61 0.07 2.00 1.01 0.19 -1.31 121.20 126.38 1g3i s ILE 106 Ca -0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1g3i s ILE 106 Cb -0.12 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1g3i s ILE 106 CO -0.05 0.46 0.23 0.42 0.00 0.00 0.00 174.94 176.00 1g3i s THR 107 N 0.41 5.36 -2.00 2.92 -4.23 -1.04 0.06 115.64 117.14 1g3i s THR 107 Ca -0.15 -0.33 0.09 0.00 -1.18 0.00 0.00 61.69 60.12 1g3i s THR 107 Cb -0.16 -3.63 0.25 0.00 1.34 0.00 0.00 72.50 70.30 1g3i s THR 107 CO 0.06 0.14 0.95 0.61 -0.54 0.00 0.00 174.62 175.84 1g3i n GLY 108 N 0.30 -0.46 0.09 3.99 0.00 -0.60 -1.03 105.19 107.47 1g3i n GLY 108 Ca -0.05 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1g3i n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1g3i n ILE 109 N -0.80 0.64 0.00 -0.61 5.41 -1.26 -1.15 119.36 121.59 1g3i n ILE 109 Ca 0.07 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.23 1g3i n ILE 109 Cb 0.03 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 1g3i n ILE 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g3i n GLY 110 N 1.27 0.76 3.57 7.39 0.00 -0.20 -4.87 105.19 113.11 1g3i n GLY 110 Ca -0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 1g3i n GLY 110 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1g3i s ASP 111 N -0.91 -0.37 -0.03 1.61 3.84 -1.25 -4.88 116.67 114.69 1g3i s ASP 111 Ca 0.00 0.36 0.07 0.00 -0.00 0.00 0.00 52.55 52.98 1g3i s ASP 111 Cb 0.00 0.31 -0.02 0.00 -1.38 0.00 0.00 42.92 41.83 1g3i s ASP 111 CO 0.00 -0.37 -0.26 -0.69 -0.00 0.00 0.00 175.17 173.86 1g3i s VAL 112 N -1.33 2.04 -0.04 2.11 1.01 -1.26 -2.48 120.40 120.44 1g3i s VAL 112 Ca -0.01 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1g3i s VAL 112 Cb -0.01 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1g3i s VAL 112 CO 0.01 0.57 -0.14 -0.69 0.00 0.00 0.00 175.10 174.85 1g3i s VAL 113 N -0.50 1.20 -0.12 2.92 1.01 -0.43 -5.01 120.40 119.48 1g3i s VAL 113 Ca 0.07 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1g3i s VAL 113 Cb -0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1g3i s VAL 113 CO 0.00 0.36 0.16 -1.10 0.00 0.00 0.00 175.10 174.52 1g3i s GLN 114 N 0.21 3.54 0.79 2.72 -0.21 -1.26 -2.69 119.66 122.75 1g3i s GLN 114 Ca -0.06 -0.09 -0.12 0.00 0.02 0.00 0.00 55.36 55.11 1g3i s GLN 114 Cb -0.12 -3.21 0.19 0.00 1.00 0.00 0.00 33.01 30.87 1g3i s GLN 114 CO 0.02 0.73 0.43 -2.30 -2.12 0.00 0.00 175.29 172.05 1g3i n PRO 115 N 2.10 -2.70 -4.10 2.91 -0.02 -1.26 -5.05 135.00 126.88 1g3i n PRO 115 Ca -0.19 -0.72 -0.27 0.00 -2.02 0.00 0.00 63.50 60.30 1g3i n PRO 115 Cb 0.55 -1.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.94 1g3i n PRO 115 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1g3i s GLU 116 N -3.69 2.25 0.06 -0.52 1.03 -1.26 -4.90 118.70 111.68 1g3i s GLU 116 Ca 0.33 -2.05 -0.01 0.00 0.03 0.00 0.00 54.97 53.28 1g3i s GLU 116 Cb -0.06 -1.97 0.12 0.00 -0.80 0.00 0.00 34.13 31.42 1g3i s GLU 116 CO 0.28 -0.45 0.34 -0.85 -1.33 0.00 0.00 175.26 173.24 1g3i n GLU 117 N -1.55 -0.02 0.27 -4.83 0.00 -1.26 0.11 120.64 113.36 1g3i n GLU 117 Ca -0.05 0.33 0.15 0.00 0.00 0.00 0.00 57.16 57.60 1g3i n GLU 117 Cb 0.65 -0.51 0.67 0.00 0.00 0.00 0.00 31.44 32.25 1g3i n GLU 117 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1g3i h ASP 118 N 0.00 0.00 -5.64 -1.84 3.04 -1.98 -3.47 116.42 106.53 1g3i h ASP 118 Ca 0.11 0.00 -0.32 0.00 -3.24 0.00 0.00 57.03 53.58 1g3i h ASP 118 Cb 0.20 0.00 0.17 0.00 -1.04 0.00 0.00 39.33 38.66 1g3i h ASP 118 CO -0.22 0.07 -0.79 0.00 -2.04 0.00 0.00 179.24 176.27 1g3i n GLN 119 N -3.23 -5.76 -5.18 4.15 -0.00 0.30 -4.65 117.38 103.02 1g3i n GLN 119 Ca -0.00 0.84 -0.32 0.00 -0.00 0.00 0.00 57.00 57.52 1g3i n GLN 119 Cb 0.31 -5.83 -0.16 0.00 -0.00 0.00 0.00 30.24 24.57 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 -3.38 2.24 0.01 -0.39 1.01 -1.26 -3.00 121.20 116.44 1g3i s ILE 120 Ca 0.08 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1g3i s ILE 120 Cb -0.01 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1g3i s ILE 120 CO 0.74 0.57 -0.13 -0.76 0.00 0.00 0.00 174.94 175.35 1g3i s LEU 121 N -0.09 2.08 -0.18 2.97 1.43 0.11 -4.74 118.68 120.26 1g3i s LEU 121 Ca -0.05 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 1g3i s LEU 121 Cb -0.14 -0.63 0.05 0.00 0.03 0.00 0.00 46.19 45.49 1g3i s LEU 121 CO 0.04 0.11 0.46 0.00 0.23 0.00 0.00 176.35 177.19 1g3i s ALA 122 N -0.53 -1.15 0.13 4.21 0.00 -1.25 0.20 121.76 123.37 1g3i s ALA 122 Ca 0.03 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 1g3i s ALA 122 Cb -0.06 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1g3i s ALA 122 CO 0.00 -0.23 0.07 0.96 0.00 0.00 0.00 175.76 176.56 1g3i s ILE 123 N 0.55 0.10 0.00 0.00 -4.36 0.87 -4.82 121.20 113.54 1g3i s ILE 123 Ca -0.02 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1g3i s ILE 123 Cb -0.04 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.62 1g3i s ILE 123 CO -0.03 -0.44 0.00 0.61 0.24 0.00 0.00 174.94 175.32 1g3i n GLY 124 N -0.11 -3.39 0.46 6.27 0.00 -1.26 -1.15 105.19 106.01 1g3i n GLY 124 Ca -0.05 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.64 1g3i n GLY 124 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g3i h SER 125 N 0.00 -1.07 0.00 1.61 4.64 -1.69 -2.35 113.55 114.69 1g3i h SER 125 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1g3i h SER 125 Cb 0.00 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1g3i h SER 125 CO 0.00 -0.66 0.00 0.61 -0.87 0.00 0.00 176.83 175.91 1g3i n GLY 126 N -1.56 1.37 0.00 -0.77 0.00 -0.91 -4.61 105.19 98.71 1g3i n GLY 126 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.13 -0.75 0.43 -0.02 0.00 -0.88 -2.52 105.19 101.58 1g3i n GLY 127 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.32 1g3i n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3i n ASN 128 N 0.00 0.00 0.24 1.61 3.02 -1.26 0.68 115.26 119.55 1g3i n ASN 128 Ca 0.00 0.61 -0.10 0.00 -0.03 0.00 0.00 54.58 55.06 1g3i n ASN 128 Cb 0.00 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 38.85 1g3i n ASN 128 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1g3i h TYR 129 N 0.00 -0.58 -0.99 3.10 0.99 -1.83 0.41 116.97 118.07 1g3i h TYR 129 Ca 0.53 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 61.40 1g3i h TYR 129 Cb 2.33 0.19 -0.10 0.00 1.00 0.00 0.00 36.73 40.15 1g3i h TYR 129 CO 0.00 -0.36 0.61 0.00 -0.00 0.00 0.00 178.16 178.41 1g3i h ALA 130 N -1.61 1.57 0.37 3.88 0.00 0.55 -0.83 119.26 123.20 1g3i h ALA 130 Ca -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1g3i h ALA 130 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1g3i h ALA 130 CO 0.10 0.06 -0.25 1.25 0.00 0.00 0.00 179.25 180.41 1g3i h LEU 131 N 0.85 -0.65 -1.53 0.00 5.85 -1.08 0.27 115.31 119.01 1g3i h LEU 131 Ca 0.54 0.04 0.12 0.00 0.84 0.00 0.00 57.88 59.42 1g3i h LEU 131 Cb 0.71 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1g3i h LEU 131 CO -0.33 -0.40 0.48 0.28 -0.34 0.00 0.00 178.44 178.13 1g3i h SER 132 N -0.61 0.46 0.32 1.25 0.02 1.00 -0.36 113.55 115.62 1g3i h SER 132 Ca -0.04 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1g3i h SER 132 Cb 0.52 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1g3i h SER 132 CO 0.02 0.26 -0.15 0.00 -1.14 0.00 0.00 176.83 175.82 1g3i h ALA 133 N 1.65 -0.43 -0.20 3.77 0.00 -0.50 -1.33 119.26 122.22 1g3i h ALA 133 Ca 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1g3i h ALA 133 Cb 0.65 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1g3i h ALA 133 CO -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.59 1g3i n ALA 134 N -2.51 -0.19 -0.34 0.00 0.00 0.87 -0.39 120.51 117.95 1g3i n ALA 134 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.45 1g3i n ALA 134 Cb 0.27 0.28 0.21 0.00 0.00 0.00 0.00 19.45 20.21 1g3i n ALA 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g3i n ARG 135 N -2.47 -0.08 -0.07 0.00 1.74 -0.23 0.19 116.66 115.74 1g3i n ARG 135 Ca 0.00 1.49 -0.07 0.00 -0.77 0.00 0.00 57.85 58.50 1g3i n ARG 135 Cb 0.00 -2.29 -0.01 0.00 -1.02 0.00 0.00 32.46 29.14 1g3i n ARG 135 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g3i h ALA 136 N 1.95 0.06 -1.19 7.54 0.00 0.00 -1.73 119.26 125.89 1g3i h ALA 136 Ca 0.53 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1g3i h ALA 136 Cb 0.95 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1g3i h ALA 136 CO -0.96 -0.56 0.00 1.28 0.00 0.00 0.00 179.25 179.01 1g3i n LEU 137 N -5.33 0.34 -0.22 0.00 4.32 0.50 -2.62 117.00 113.99 1g3i n LEU 137 Ca 0.00 0.66 0.17 0.00 -0.02 0.00 0.00 56.01 56.82 1g3i n LEU 137 Cb 0.24 -0.30 0.31 0.00 -1.62 0.00 0.00 43.42 42.06 1g3i n LEU 137 CO 0.16 -0.30 0.63 0.52 -1.22 0.00 0.00 177.39 177.18 1g3i n VAL 138 N -1.40 -0.27 0.11 4.08 0.31 0.67 0.12 118.33 121.95 1g3i n VAL 138 Ca 0.00 1.37 -0.00 0.00 -0.01 0.00 0.00 64.34 65.69 1g3i n VAL 138 Cb 0.00 -2.14 -0.02 0.00 -0.91 0.00 0.00 33.84 30.77 1g3i n VAL 138 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1g3i h GLU 139 N 0.00 0.00 -0.05 5.55 5.08 -1.39 -3.37 114.58 120.40 1g3i h GLU 139 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1g3i h GLU 139 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1g3i h GLU 139 CO -0.54 0.64 0.00 0.09 -1.00 0.00 0.00 179.01 178.20 1g3i n ASN 140 N -3.25 2.30 -3.69 1.42 3.02 0.12 -5.05 115.26 110.12 1g3i n ASN 140 Ca 0.01 -2.38 -0.12 0.00 -0.03 0.00 0.00 54.58 52.06 1g3i n ASN 140 Cb 0.80 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.73 1g3i n ASN 140 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1g3i s THR 141 N -1.66 0.07 -1.10 3.41 -1.32 -0.32 -5.03 115.64 109.68 1g3i s THR 141 Ca 0.14 -0.56 -0.04 0.00 -1.21 0.00 0.00 61.69 60.02 1g3i s THR 141 Cb 0.11 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.40 1g3i s THR 141 CO 0.03 -0.31 1.54 -0.62 -2.21 0.00 0.00 174.62 173.05 1g3i n GLU 142 N 0.38 4.43 -4.32 7.08 -0.58 -1.26 -4.61 120.64 121.77 1g3i n GLU 142 Ca -0.18 -4.45 -0.31 0.00 -0.42 0.00 0.00 57.16 51.80 1g3i n GLU 142 Cb 0.60 -2.55 -0.10 0.00 -0.57 0.00 0.00 31.44 28.83 1g3i n GLU 142 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1g3i s LEU 143 N -2.58 3.24 0.34 -4.62 1.43 -1.26 -5.08 118.68 110.14 1g3i s LEU 143 Ca 0.32 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 1g3i s LEU 143 Cb 0.06 -1.92 -0.11 0.00 0.03 0.00 0.00 46.19 44.24 1g3i s LEU 143 CO 0.09 0.24 1.55 -0.94 0.23 0.00 0.00 176.35 177.52 1g3i s SER 144 N -1.79 6.34 0.59 2.29 1.04 -1.26 -4.78 113.70 116.13 1g3i s SER 144 Ca 0.20 3.02 0.29 0.00 0.48 0.00 0.00 55.95 59.93 1g3i s SER 144 Cb -0.11 -2.65 1.44 0.00 0.10 0.00 0.00 66.02 64.79 1g3i s SER 144 CO 0.11 -0.91 1.85 0.00 0.98 0.00 0.00 173.24 175.28 1g3i h ALA 145 N 3.90 2.24 0.11 5.32 0.00 -1.89 0.08 119.26 129.02 1g3i h ALA 145 Ca -0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1g3i h ALA 145 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1g3i h ALA 145 CO 0.72 -0.81 -0.05 1.25 0.00 0.00 0.00 179.25 180.35 1g3i h HIS 146 N 0.00 -0.14 -1.00 0.00 -0.00 -1.88 -2.84 115.15 109.30 1g3i h HIS 146 Ca 0.24 -0.00 0.22 0.00 -0.00 0.00 0.00 60.37 60.82 1g3i h HIS 146 Cb 1.33 0.05 -0.12 0.00 -0.00 0.00 0.00 27.41 28.67 1g3i h HIS 146 CO 0.00 0.11 0.60 0.93 -0.00 0.00 0.00 177.93 179.57 1g3i h GLU 147 N -1.01 0.65 0.50 5.26 5.08 -1.53 0.75 114.58 124.28 1g3i h GLU 147 Ca -0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1g3i h GLU 147 Cb 0.31 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1g3i h GLU 147 CO 0.02 0.43 -0.24 0.82 -1.00 0.00 0.00 179.01 179.04 1g3i h ILE 148 N 0.67 0.00 -1.24 3.13 2.04 -1.15 0.21 117.51 121.18 1g3i h ILE 148 Ca 0.61 -0.07 0.36 0.00 1.00 0.00 0.00 64.86 66.76 1g3i h ILE 148 Cb 1.06 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1g3i h ILE 148 CO -0.43 0.00 0.89 0.58 0.00 0.00 0.00 178.15 179.19 1g3i h VAL 149 N -0.75 0.38 0.23 1.67 2.07 -1.15 0.93 116.25 119.62 1g3i h VAL 149 Ca -0.07 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1g3i h VAL 149 Cb 0.52 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1g3i h VAL 149 CO 0.11 0.00 -0.11 -0.08 0.02 0.00 0.00 177.57 177.52 1g3i h GLU 150 N 0.02 -0.29 -0.70 1.57 4.22 -0.62 -2.77 114.58 116.01 1g3i h GLU 150 Ca 0.60 0.02 0.15 0.00 0.08 0.00 0.00 59.36 60.21 1g3i h GLU 150 Cb 2.34 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 31.54 1g3i h GLU 150 CO -0.03 -0.19 0.05 0.87 -2.18 0.00 0.00 179.01 177.53 1g3i h LYS 151 N -0.84 0.15 -0.78 1.92 1.79 0.16 -0.40 116.57 118.56 1g3i h LYS 151 Ca -0.03 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1g3i h LYS 151 Cb 0.23 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 1g3i h LYS 151 CO 0.05 0.10 0.47 0.77 -1.08 0.00 0.00 179.45 179.76 1g3i h SER 152 N 0.15 0.94 -0.35 0.86 0.02 0.68 -2.41 113.55 113.43 1g3i h SER 152 Ca 0.38 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1g3i h SER 152 Cb 0.64 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1g3i h SER 152 CO -0.57 0.72 0.23 -0.07 -1.14 0.00 0.00 176.83 176.01 1g3i h LEU 153 N 1.08 0.40 0.28 5.07 3.38 -0.77 -2.73 115.31 122.02 1g3i h LEU 153 Ca 0.28 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1g3i h LEU 153 Cb -0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1g3i h LEU 153 CO -0.05 0.29 -0.46 -0.09 0.09 0.00 0.00 178.44 178.22 1g3i h ARG 154 N 0.47 -0.76 -0.97 1.13 2.43 -1.13 -0.07 114.38 115.49 1g3i h ARG 154 Ca 0.13 0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.54 1g3i h ARG 154 Cb -0.05 0.17 -0.18 0.00 -0.42 0.00 0.00 29.97 29.49 1g3i h ARG 154 CO -0.03 -0.50 -0.25 -0.89 -1.51 0.00 0.00 179.97 176.79 1g3i n ILE 155 N -5.14 -0.41 -0.24 1.20 -0.00 -1.04 0.08 119.36 113.81 1g3i n ILE 155 Ca -0.09 2.22 -0.07 0.00 -0.00 0.00 0.00 62.75 64.81 1g3i n ILE 155 Cb 0.39 -3.06 0.04 0.00 -0.00 0.00 0.00 39.64 37.01 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 1.90 0.88 0.00 -1.39 0.00 -1.05 -2.71 119.26 116.89 1g3i h ALA 156 Ca 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1g3i h ALA 156 Cb 0.70 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1g3i h ALA 156 CO -0.99 0.54 -0.15 0.78 0.00 0.00 0.00 179.25 179.43 1g3i h GLY 157 N 0.98 0.00 -0.14 0.00 0.00 0.15 0.19 103.07 104.26 1g3i h GLY 157 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1g3i h GLY 157 CO -0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.75 1g3i n ASP 158 N -4.08 0.50 0.00 0.19 10.43 -0.73 -3.93 116.55 118.94 1g3i n ASP 158 Ca -0.02 -1.80 0.00 0.00 2.57 0.00 0.00 54.79 55.54 1g3i n ASP 158 Cb 0.23 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.14 1g3i n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1g3i n ILE 159 N -0.32 0.00 -2.91 0.53 5.41 -0.71 -5.03 119.36 116.33 1g3i n ILE 159 Ca 0.08 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.42 1g3i n ILE 159 Cb 0.11 -0.21 -0.04 0.00 -0.71 0.00 0.00 39.64 38.79 1g3i n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i n VAL 161 N 4.59 0.17 -1.43 0.00 0.24 -1.26 -2.30 118.33 118.34 1g3i n VAL 161 Ca 0.04 0.04 -0.01 0.00 -2.04 0.00 0.00 64.34 62.37 1g3i n VAL 161 Cb 0.49 -0.67 0.20 0.00 -1.47 0.00 0.00 33.84 32.40 1g3i n VAL 161 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1g3i n PHE 162 N -1.16 0.85 -3.78 6.34 3.72 -1.26 -4.98 117.46 117.18 1g3i n PHE 162 Ca 0.14 -1.51 -0.13 0.00 -0.05 0.00 0.00 57.45 55.90 1g3i n PHE 162 Cb 0.14 -0.43 -0.11 0.00 -0.94 0.00 0.00 39.48 38.14 1g3i n PHE 162 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1g3i s THR 163 N -3.20 0.00 0.48 4.37 2.01 -0.97 -0.77 115.64 117.55 1g3i s THR 163 Ca 0.43 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1g3i s THR 163 Cb 0.39 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.48 1g3i s THR 163 CO -0.01 -0.01 0.15 0.54 -0.69 0.00 0.00 174.62 174.61 1g3i s ASN 164 N 0.09 4.31 0.10 3.53 6.03 -1.26 -4.66 114.94 123.09 1g3i s ASN 164 Ca -0.01 -1.35 0.25 0.00 -1.03 0.00 0.00 52.86 50.72 1g3i s ASN 164 Cb -0.02 0.08 0.46 0.00 -3.03 0.00 0.00 41.25 38.75 1g3i s ASN 164 CO 0.00 -0.77 1.41 0.35 -2.03 0.00 0.00 177.10 176.06 1g3i n THR 165 N -1.34 0.30 -2.67 0.54 -2.24 -1.26 -4.65 114.28 102.95 1g3i n THR 165 Ca -0.08 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1g3i n THR 165 Cb 0.66 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1g3i n THR 165 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1g3i s ASN 166 N -3.99 6.52 0.39 3.42 3.84 -1.26 -4.97 114.94 118.88 1g3i s ASN 166 Ca 0.08 -1.58 0.08 0.00 0.21 0.00 0.00 52.86 51.65 1g3i s ASN 166 Cb 0.14 -2.52 -0.06 0.00 -0.55 0.00 0.00 41.25 38.26 1g3i s ASN 166 CO 0.70 -1.39 0.04 0.72 -2.79 0.00 0.00 177.10 174.38 1g3i s PHE 167 N 4.31 2.53 -0.14 0.43 -0.12 -1.26 -2.44 117.98 121.29 1g3i s PHE 167 Ca 0.41 -0.57 0.01 0.00 -0.05 0.00 0.00 56.93 56.73 1g3i s PHE 167 Cb -0.02 -1.71 0.02 0.00 -0.63 0.00 0.00 43.02 40.68 1g3i s PHE 167 CO -0.09 0.40 -0.14 0.95 -0.05 0.00 0.00 175.22 176.29 1g3i s THR 168 N -2.62 1.56 -0.10 -4.49 -4.23 -0.77 -4.99 115.64 99.99 1g3i s THR 168 Ca 0.36 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 1g3i s THR 168 Cb 0.05 -1.46 -0.02 0.00 1.34 0.00 0.00 72.50 72.42 1g3i s THR 168 CO 0.19 0.46 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.94 1g3i s ILE 169 N 1.41 2.85 -0.05 2.99 1.01 -1.26 -3.26 121.20 124.90 1g3i s ILE 169 Ca 0.03 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1g3i s ILE 169 Cb -0.13 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 1g3i s ILE 169 CO -0.09 0.55 -0.23 -1.61 0.00 0.00 0.00 174.94 173.56 1g3i s GLU 170 N 0.07 2.25 0.35 2.79 0.41 -1.08 -4.98 118.70 118.51 1g3i s GLU 170 Ca -0.07 -0.81 0.04 0.00 -0.41 0.00 0.00 54.97 53.72 1g3i s GLU 170 Cb -0.15 -1.94 -0.05 0.00 -1.78 0.00 0.00 34.13 30.20 1g3i s GLU 170 CO 0.05 0.36 0.07 -1.83 -0.49 0.00 0.00 175.26 173.41 1g3i s GLU 171 N -0.15 1.73 -0.04 1.61 -1.05 -1.26 -1.05 118.70 118.49 1g3i s GLU 171 Ca -0.02 -1.99 0.01 0.00 -0.15 0.00 0.00 54.97 52.82 1g3i s GLU 171 Cb -0.13 -0.87 0.02 0.00 -0.44 0.00 0.00 34.13 32.72 1g3i s GLU 171 CO 0.03 -0.24 -0.05 -0.51 0.95 0.00 0.00 175.26 175.44 1g3i s LEU 172 N -3.53 1.42 0.00 1.83 1.43 -0.26 -4.99 118.68 114.58 1g3i s LEU 172 Ca 0.33 -0.13 0.26 0.00 -1.03 0.00 0.00 54.13 53.56 1g3i s LEU 172 Cb 0.07 -0.43 0.56 0.00 0.03 0.00 0.00 46.19 46.43 1g3i s LEU 172 CO 0.15 -0.04 1.47 -0.81 0.23 0.00 0.00 176.35 177.35