#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghy n LEU 1 N 0.00 6.14 -0.11 2.46 4.77 -1.26 -4.69 117.00 124.32 3ghy n LEU 1 Ca 0.00 -4.65 -0.15 0.00 -0.03 0.00 0.00 56.01 51.17 3ghy n LEU 1 Cb 0.00 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 39.49 3ghy n LEU 1 CO 0.00 1.20 -1.19 0.41 -1.33 0.00 0.00 177.39 176.48 3ghy n THR 2 N 3.52 1.21 -3.31 -5.08 -1.04 -1.26 -4.85 114.28 103.47 3ghy n THR 2 Ca 0.37 -0.45 -0.44 0.00 -2.04 0.00 0.00 64.05 61.49 3ghy n THR 2 Cb 0.38 -1.29 -0.08 0.00 -1.82 0.00 0.00 70.33 67.52 3ghy n THR 2 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3ghy s ARG 3 N -2.42 3.06 -0.12 -2.82 0.52 -1.26 -4.72 118.95 111.18 3ghy s ARG 3 Ca -0.29 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 53.97 3ghy s ARG 3 Cb 0.08 -4.05 0.01 0.00 0.52 0.00 0.00 34.95 31.50 3ghy s ARG 3 CO 0.48 -0.99 -0.23 0.42 0.02 0.00 0.00 175.30 175.00 3ghy s ILE 4 N 2.09 2.03 -0.03 1.52 1.01 -1.26 -0.41 121.20 126.15 3ghy s ILE 4 Ca 0.10 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.81 3ghy s ILE 4 Cb -0.20 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 3ghy s ILE 4 CO 0.11 0.55 -0.16 0.00 0.00 0.00 0.00 174.94 175.43 3ghy s ILE 6 N -0.10 4.54 -0.45 0.00 -1.09 0.97 0.05 121.20 125.13 3ghy s ILE 6 Ca -0.00 -0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 58.03 3ghy s ILE 6 Cb -0.10 -3.03 0.03 0.00 -1.58 0.00 0.00 42.46 37.78 3ghy s ILE 6 CO 0.01 0.47 0.96 -0.69 -1.23 0.00 0.00 174.94 174.46 3ghy s VAL 7 N 0.37 4.45 0.09 2.92 1.01 -0.52 -0.68 120.40 128.06 3ghy s VAL 7 Ca 0.01 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3ghy s VAL 7 Cb -0.13 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.81 3ghy s VAL 7 CO 0.01 -0.81 0.00 0.61 0.00 0.00 0.00 175.10 174.91 3ghy n GLY 8 N 4.82 -1.70 2.46 4.51 0.00 0.14 -4.52 105.19 110.90 3ghy n GLY 8 Ca 0.07 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.46 3ghy n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghy n ALA 9 N -1.87 4.44 -1.04 4.61 0.00 -1.26 -4.50 120.51 120.89 3ghy n ALA 9 Ca -0.00 -3.79 -0.10 0.00 0.00 0.00 0.00 53.44 49.55 3ghy n ALA 9 Cb 0.16 -0.62 0.13 0.00 0.00 0.00 0.00 19.45 19.12 3ghy n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ghy n GLY 10 N -0.45 -2.58 0.38 0.00 0.00 -1.26 -4.44 105.19 96.84 3ghy n GLY 10 Ca 0.30 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 3ghy n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghy h ALA 11 N -2.36 -0.74 0.06 4.61 0.00 -1.89 0.50 119.26 119.44 3ghy h ALA 11 Ca -0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ghy h ALA 11 Cb 0.64 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ghy h ALA 11 CO 0.14 -0.96 -0.03 0.28 0.00 0.00 0.00 179.25 178.68 3ghy h VAL 12 N -0.70 0.84 -0.39 0.00 2.07 -1.87 -2.76 116.25 113.45 3ghy h VAL 12 Ca -0.01 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.09 3ghy h VAL 12 Cb 0.66 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 3ghy h VAL 12 CO -0.10 0.27 0.10 1.23 0.02 0.00 0.00 177.57 179.08 3ghy h GLY 13 N -0.96 0.47 1.82 2.17 0.00 -1.76 -0.48 103.07 104.33 3ghy h GLY 13 Ca -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3ghy h GLY 13 CO 0.01 -0.01 -0.11 -1.33 0.00 0.00 0.00 176.54 175.10 3ghy h GLY 14 N 0.24 0.24 0.51 4.60 0.00 -1.04 -0.98 103.07 106.64 3ghy h GLY 14 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3ghy h GLY 14 CO -0.22 0.13 -0.06 -1.82 0.00 0.00 0.00 176.54 174.57 3ghy h TYR 15 N 0.21 0.12 -0.63 5.60 3.20 -1.02 -0.81 116.97 123.63 3ghy h TYR 15 Ca 0.04 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3ghy h TYR 15 Cb 0.33 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 3ghy h TYR 15 CO 0.00 0.64 0.25 -0.07 -1.64 0.00 0.00 178.16 177.35 3ghy h LEU 16 N -0.44 0.27 -0.75 2.82 3.38 -1.02 -1.06 115.31 118.51 3ghy h LEU 16 Ca 0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ghy h LEU 16 Cb 0.64 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3ghy h LEU 16 CO 0.01 0.16 0.40 1.23 0.09 0.00 0.00 178.44 180.33 3ghy h GLY 17 N 0.44 1.12 1.04 0.83 0.00 -1.15 -2.30 103.07 103.06 3ghy h GLY 17 Ca 0.32 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3ghy h GLY 17 CO -0.30 0.50 0.06 0.00 0.00 0.00 0.00 176.54 176.80 3ghy h ALA 18 N 1.21 0.78 -0.70 3.60 0.00 -0.72 -1.36 119.26 122.06 3ghy h ALA 18 Ca 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ghy h ALA 18 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ghy h ALA 18 CO -0.04 0.57 0.45 0.00 0.00 0.00 0.00 179.25 180.22 3ghy h ARG 19 N 0.89 0.94 -0.18 0.00 2.47 -1.02 -0.41 114.38 117.07 3ghy h ARG 19 Ca 0.17 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 3ghy h ARG 19 Cb 0.47 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 3ghy h ARG 19 CO 0.02 0.64 0.07 -0.07 0.56 0.00 0.00 179.97 181.19 3ghy h LEU 20 N 0.95 0.26 -0.99 3.04 3.38 -1.33 -1.82 115.31 118.80 3ghy h LEU 20 Ca 0.26 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3ghy h LEU 20 Cb -0.08 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3ghy h LEU 20 CO -0.05 0.37 0.64 0.00 0.09 0.00 0.00 178.44 179.49 3ghy h ALA 21 N 0.90 1.36 -0.74 1.53 0.00 -1.06 -1.88 119.26 119.37 3ghy h ALA 21 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ghy h ALA 21 Cb 0.19 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3ghy h ALA 21 CO -0.00 0.46 0.45 -0.07 0.00 0.00 0.00 179.25 180.09 3ghy h LEU 22 N 1.19 0.88 0.00 0.00 3.38 -0.83 -1.43 115.31 118.50 3ghy h LEU 22 Ca 0.42 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3ghy h LEU 22 Cb 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3ghy h LEU 22 CO -0.16 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.04 3ghy n ALA 23 N -2.42 2.02 -0.26 1.53 0.00 -0.70 -4.87 120.51 115.79 3ghy n ALA 23 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3ghy n ALA 23 Cb 0.06 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3ghy n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ghy n GLY 24 N 0.24 0.86 3.80 0.00 0.00 -0.54 -5.03 105.19 104.52 3ghy n GLY 24 Ca 0.10 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3ghy n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ghy s GLU 25 N -0.68 4.18 -0.10 1.61 0.41 -0.86 -5.01 118.70 118.26 3ghy s GLU 25 Ca 0.00 1.32 -0.30 0.00 -0.41 0.00 0.00 54.97 55.58 3ghy s GLU 25 Cb 0.00 -2.37 -0.02 0.00 -1.78 0.00 0.00 34.13 29.96 3ghy s GLU 25 CO 0.00 -0.09 1.10 0.00 -0.49 0.00 0.00 175.26 175.78 3ghy s ALA 26 N -1.89 3.48 -0.02 5.21 0.00 -1.26 -4.29 121.76 122.99 3ghy s ALA 26 Ca 0.60 0.46 0.07 0.00 0.00 0.00 0.00 51.96 53.08 3ghy s ALA 26 Cb -0.16 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 3ghy s ALA 26 CO 0.20 -0.75 -0.23 0.96 0.00 0.00 0.00 175.76 175.95 3ghy s ILE 27 N 2.31 1.81 -0.01 0.00 -5.25 -1.26 -4.30 121.20 114.49 3ghy s ILE 27 Ca 0.51 -0.97 -0.01 0.00 -0.99 0.00 0.00 60.65 59.19 3ghy s ILE 27 Cb -0.21 -1.50 -0.04 0.00 2.95 0.00 0.00 42.46 43.66 3ghy s ILE 27 CO 0.18 0.51 0.10 0.20 -1.79 0.00 0.00 174.94 174.14 3ghy s ASN 28 N -0.48 5.82 -0.10 4.36 0.01 0.55 -1.89 114.94 123.21 3ghy s ASN 28 Ca 0.07 0.19 0.02 0.00 -0.71 0.00 0.00 52.86 52.44 3ghy s ASN 28 Cb -0.09 -1.71 0.01 0.00 0.41 0.00 0.00 41.25 39.87 3ghy s ASN 28 CO -0.00 0.28 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.01 3ghy s VAL 29 N -1.20 1.52 -0.42 1.60 1.01 -0.14 -0.02 120.40 122.75 3ghy s VAL 29 Ca 0.23 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 3ghy s VAL 29 Cb -0.12 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3ghy s VAL 29 CO 0.14 0.44 0.66 -0.22 0.00 0.00 0.00 175.10 176.13 3ghy s LEU 30 N 0.83 4.39 0.05 3.92 2.96 0.14 -2.04 118.68 128.93 3ghy s LEU 30 Ca -0.10 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3ghy s LEU 30 Cb -0.16 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 3ghy s LEU 30 CO 0.01 -0.75 -0.05 0.00 -1.32 0.00 0.00 176.35 174.24 3ghy s ALA 31 N 2.86 0.55 0.48 5.97 0.00 -0.80 0.26 121.76 131.08 3ghy s ALA 31 Ca 0.24 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3ghy s ALA 31 Cb -0.14 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3ghy s ALA 31 CO 0.18 -0.20 0.04 1.03 0.00 0.00 0.00 175.76 176.81 3ghy s ARG 32 N -2.70 2.13 3.71 0.00 0.52 -1.26 -3.56 118.95 117.79 3ghy s ARG 32 Ca -0.02 -2.27 0.00 0.00 -0.52 0.00 0.00 55.73 52.92 3ghy s ARG 32 Cb -0.02 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.83 3ghy s ARG 32 CO -0.04 -0.28 0.00 0.41 0.02 0.00 0.00 175.30 175.42 3ghy n GLY 33 N -1.21 2.95 0.14 -3.53 0.00 -1.26 -1.09 105.19 101.19 3ghy n GLY 33 Ca -0.13 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 45.84 3ghy n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghy h ALA 34 N -0.48 0.69 -0.47 4.61 0.00 -2.00 -3.12 119.26 118.50 3ghy h ALA 34 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3ghy h ALA 34 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ghy h ALA 34 CO 0.00 0.65 0.23 1.15 0.00 0.00 0.00 179.25 181.28 3ghy h THR 35 N 0.00 1.19 -0.14 0.00 2.02 -1.85 -2.18 112.91 111.94 3ghy h THR 35 Ca -0.01 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.67 3ghy h THR 35 Cb 1.34 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3ghy h THR 35 CO 0.07 0.21 -0.01 0.25 0.37 0.00 0.00 175.52 176.40 3ghy h LEU 36 N 0.62 -0.08 -0.78 2.58 5.85 -1.05 -1.18 115.31 121.27 3ghy h LEU 36 Ca 0.16 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3ghy h LEU 36 Cb 0.11 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3ghy h LEU 36 CO -0.02 -0.02 0.44 1.56 -0.34 0.00 0.00 178.44 180.06 3ghy h GLN 37 N 0.03 1.08 -0.55 1.25 1.08 -1.53 -0.83 115.11 115.64 3ghy h GLN 37 Ca 0.07 -0.12 -0.10 0.00 -1.45 0.00 0.00 58.65 57.05 3ghy h GLN 37 Cb 0.09 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 3ghy h GLN 37 CO -0.12 0.78 -0.04 0.00 -0.95 0.00 0.00 178.83 178.51 3ghy h ALA 38 N 1.23 0.90 -0.24 3.87 0.00 -1.21 -2.26 119.26 121.55 3ghy h ALA 38 Ca 0.28 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3ghy h ALA 38 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ghy h ALA 38 CO -0.05 0.64 -0.57 -0.07 0.00 0.00 0.00 179.25 179.20 3ghy h LEU 39 N 0.88 0.83 -0.83 0.00 3.38 -0.97 -0.24 115.31 118.36 3ghy h LEU 39 Ca 0.15 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 3ghy h LEU 39 Cb 0.57 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3ghy h LEU 39 CO 0.03 1.23 -0.58 1.56 0.09 0.00 0.00 178.44 180.77 3ghy h GLN 40 N 0.56 0.00 0.02 1.13 4.20 -1.11 -1.91 115.11 118.01 3ghy h GLN 40 Ca 0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.38 3ghy h GLN 40 Cb 1.16 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 3ghy h GLN 40 CO 0.12 0.58 -1.89 0.25 -0.67 0.00 0.00 178.83 177.22 3ghy n THR 41 N -3.83 1.58 -0.06 -0.54 -2.24 -0.86 -4.68 114.28 103.66 3ghy n THR 41 Ca -0.01 -0.30 -0.02 0.00 -2.27 0.00 0.00 64.05 61.44 3ghy n THR 41 Cb 0.59 -1.87 -0.16 0.00 -2.10 0.00 0.00 70.33 66.79 3ghy n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ghy n ALA 42 N -3.55 1.96 0.00 6.98 0.00 -0.11 -5.10 120.51 120.70 3ghy n ALA 42 Ca -0.40 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.05 3ghy n ALA 42 Cb 0.84 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3ghy n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ghy n GLY 43 N 1.56 -2.55 3.76 0.00 0.00 -0.72 -4.70 105.19 102.54 3ghy n GLY 43 Ca -0.21 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.31 3ghy n GLY 43 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ghy s LEU 44 N 0.00 4.45 -0.13 0.99 2.96 0.34 -4.24 118.68 123.05 3ghy s LEU 44 Ca 0.00 1.37 -0.00 0.00 -0.22 0.00 0.00 54.13 55.27 3ghy s LEU 44 Cb 0.00 -3.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 3ghy s LEU 44 CO 0.00 0.07 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.84 3ghy s ARG 45 N -0.22 3.39 -0.13 1.98 0.52 -0.28 0.63 118.95 124.84 3ghy s ARG 45 Ca 0.36 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 3ghy s ARG 45 Cb -0.20 -2.65 0.02 0.00 0.52 0.00 0.00 34.95 32.65 3ghy s ARG 45 CO 0.21 0.20 -0.13 -1.17 0.02 0.00 0.00 175.30 174.43 3ghy s LEU 46 N 0.39 1.60 -0.31 2.53 2.96 -0.37 0.38 118.68 125.86 3ghy s LEU 46 Ca -0.10 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.26 3ghy s LEU 46 Cb -0.16 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 3ghy s LEU 46 CO 0.05 -0.05 0.17 -0.89 -1.32 0.00 0.00 176.35 174.31 3ghy s THR 47 N 1.43 4.89 -0.06 3.68 2.01 0.56 -0.65 115.64 127.50 3ghy s THR 47 Ca 0.03 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 3ghy s THR 47 Cb -0.13 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.95 3ghy s THR 47 CO -0.09 0.11 0.18 -0.70 -0.69 0.00 0.00 174.62 173.43 3ghy s GLU 48 N 1.67 0.24 -1.50 4.92 2.12 -0.50 -1.22 118.70 124.43 3ghy s GLU 48 Ca 0.06 0.20 -0.13 0.00 0.36 0.00 0.00 54.97 55.46 3ghy s GLU 48 Cb -0.17 0.11 0.07 0.00 0.26 0.00 0.00 34.13 34.41 3ghy s GLU 48 CO 0.08 -0.03 0.98 -0.25 -0.54 0.00 0.00 175.26 175.50 3ghy n ASP 49 N 2.85 -5.09 -0.15 -1.70 10.43 -1.26 -1.46 116.55 120.17 3ghy n ASP 49 Ca -0.13 -0.71 -0.02 0.00 2.57 0.00 0.00 54.79 56.50 3ghy n ASP 49 Cb 0.58 -4.05 -0.01 0.00 1.84 0.00 0.00 41.12 39.48 3ghy n ASP 49 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ghy n GLY 50 N -1.71 0.38 3.25 0.44 0.00 -1.26 -4.99 105.19 101.29 3ghy n GLY 50 Ca 0.03 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3ghy n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghy s ALA 51 N -1.57 1.83 -0.13 4.61 0.00 -0.53 -5.13 121.76 120.84 3ghy s ALA 51 Ca 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3ghy s ALA 51 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3ghy s ALA 51 CO 0.00 0.44 -0.01 0.99 0.00 0.00 0.00 175.76 177.18 3ghy s THR 52 N -0.57 4.15 -0.07 0.00 2.01 -1.26 -1.40 115.64 118.50 3ghy s THR 52 Ca 0.08 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.84 3ghy s THR 52 Cb -0.09 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 3ghy s THR 52 CO -0.00 0.54 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.27 3ghy s HIS 53 N -0.20 2.59 -0.29 4.92 3.76 0.18 -4.97 115.29 121.29 3ghy s HIS 53 Ca 0.05 -0.59 -0.10 0.00 -0.15 0.00 0.00 55.06 54.28 3ghy s HIS 53 Cb -0.13 -1.67 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 3ghy s HIS 53 CO 0.02 -0.13 0.14 0.95 -0.85 0.00 0.00 174.74 174.88 3ghy s THR 54 N -0.16 4.69 -0.34 1.30 -4.23 -1.26 -1.24 115.64 114.40 3ghy s THR 54 Ca -0.02 -0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 60.21 3ghy s THR 54 Cb -0.14 -3.32 0.08 0.00 1.34 0.00 0.00 72.50 70.46 3ghy s THR 54 CO 0.04 0.15 0.08 -0.76 -0.54 0.00 0.00 174.62 173.59 3ghy s LEU 55 N 1.64 4.49 0.11 4.79 1.43 0.21 -4.93 118.68 126.42 3ghy s LEU 55 Ca 0.05 -1.63 -0.35 0.00 -1.03 0.00 0.00 54.13 51.18 3ghy s LEU 55 Cb -0.16 -1.75 -0.14 0.00 0.03 0.00 0.00 46.19 44.16 3ghy s LEU 55 CO 0.07 -0.38 1.55 -2.65 0.23 0.00 0.00 176.35 175.17 3ghy n PRO 56 N 4.58 1.90 -4.30 1.29 -0.02 -1.26 -0.51 135.00 136.68 3ghy n PRO 56 Ca -0.08 0.69 -0.16 0.00 -2.02 0.00 0.00 63.50 61.93 3ghy n PRO 56 Cb 0.42 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 3ghy n PRO 56 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3ghy s VAL 57 N 1.15 0.85 -0.56 -1.45 -7.23 -1.26 -4.77 120.40 107.12 3ghy s VAL 57 Ca 0.82 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.84 3ghy s VAL 57 Cb -0.75 -2.33 0.14 0.00 0.56 0.00 0.00 36.38 33.99 3ghy s VAL 57 CO 0.42 -0.31 0.50 -0.60 -0.31 0.00 0.00 175.10 174.79 3ghy s ARG 58 N -3.91 2.94 -0.16 4.82 3.52 -0.79 -4.95 118.95 120.42 3ghy s ARG 58 Ca 0.29 -1.84 -0.06 0.00 -0.13 0.00 0.00 55.73 53.99 3ghy s ARG 58 Cb 0.06 -4.22 -0.04 0.00 -1.56 0.00 0.00 34.95 29.20 3ghy s ARG 58 CO 0.08 -1.29 0.03 0.00 -0.81 0.00 0.00 175.30 173.31 3ghy s ALA 59 N 1.33 3.31 0.09 6.12 0.00 -1.26 -0.97 121.76 130.38 3ghy s ALA 59 Ca 0.06 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 3ghy s ALA 59 Cb -0.26 -1.77 0.05 0.00 0.00 0.00 0.00 23.12 21.13 3ghy s ALA 59 CO 0.00 0.26 0.47 -0.08 0.00 0.00 0.00 175.76 176.42 3ghy s THR 60 N 0.13 0.04 -0.51 0.00 -1.32 -0.86 -4.85 115.64 108.28 3ghy s THR 60 Ca 0.03 -0.37 0.23 0.00 -1.21 0.00 0.00 61.69 60.38 3ghy s THR 60 Cb -0.13 -1.05 0.03 0.00 -1.51 0.00 0.00 72.50 69.85 3ghy s THR 60 CO 0.01 -0.20 1.22 1.12 -2.21 0.00 0.00 174.62 174.56 3ghy h HIS 61 N 2.56 0.00 -2.70 9.09 2.07 -1.86 -2.13 115.15 122.17 3ghy h HIS 61 Ca -0.32 0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 56.53 3ghy h HIS 61 Cb 1.24 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 31.05 3ghy h HIS 61 CO 0.34 0.00 0.46 0.34 -3.07 0.00 0.00 177.93 175.99 3ghy s ASP 62 N -4.61 6.26 0.36 3.10 2.15 -1.26 -4.87 116.67 117.80 3ghy s ASP 62 Ca 0.04 -1.31 0.09 0.00 0.43 0.00 0.00 52.55 51.80 3ghy s ASP 62 Cb 0.12 -2.38 0.69 0.00 -0.30 0.00 0.00 42.92 41.05 3ghy s ASP 62 CO 0.75 -1.27 1.84 0.00 -0.17 0.00 0.00 175.17 176.31 3ghy h ALA 63 N 9.31 1.38 -0.60 3.66 0.00 -1.88 -3.08 119.26 128.06 3ghy h ALA 63 Ca -0.21 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3ghy h ALA 63 Cb 1.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3ghy h ALA 63 CO 1.14 0.44 0.24 0.00 0.00 0.00 0.00 179.25 181.07 3ghy h ALA 64 N 1.57 0.78 -0.46 0.00 0.00 -1.90 -1.38 119.26 117.87 3ghy h ALA 64 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3ghy h ALA 64 Cb 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ghy h ALA 64 CO 0.04 0.39 0.31 0.00 0.00 0.00 0.00 179.25 179.99 3ghy h ALA 65 N 1.09 1.83 -0.00 0.00 0.00 -1.96 -2.91 119.26 117.30 3ghy h ALA 65 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3ghy h ALA 65 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ghy h ALA 65 CO -0.02 0.11 -0.03 -0.07 0.00 0.00 0.00 179.25 179.25 3ghy h LEU 66 N 0.49 0.03 0.00 0.00 3.38 -1.44 -3.50 115.31 114.27 3ghy h LEU 66 Ca 0.19 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3ghy h LEU 66 Cb 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ghy h LEU 66 CO -0.05 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.83 3ghy n GLY 67 N 0.83 -2.29 3.74 0.83 0.00 -0.56 -4.92 105.19 102.82 3ghy n GLY 67 Ca -0.09 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3ghy n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ghy n GLU 68 N -0.35 2.55 -4.29 1.61 1.02 -1.05 -4.12 120.64 116.02 3ghy n GLU 68 Ca 0.00 0.90 -0.24 0.00 -0.02 0.00 0.00 57.16 57.80 3ghy n GLU 68 Cb 0.00 -2.63 -0.08 0.00 -0.02 0.00 0.00 31.44 28.71 3ghy n GLU 68 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3ghy s GLN 69 N -1.26 2.14 -0.09 3.49 -1.52 -0.08 -4.99 119.66 117.35 3ghy s GLN 69 Ca 0.59 -1.68 -0.12 0.00 -1.95 0.00 0.00 55.36 52.20 3ghy s GLN 69 Cb -0.51 -1.99 -0.28 0.00 -0.22 0.00 0.00 33.01 30.00 3ghy s GLN 69 CO 0.56 0.16 0.54 -0.44 -0.25 0.00 0.00 175.29 175.86 3ghy h ASP 70 N 1.78 0.47 -3.33 5.90 3.45 -1.05 -3.37 116.42 120.26 3ghy h ASP 70 Ca -0.43 -0.90 -0.46 0.00 0.43 0.00 0.00 57.03 55.67 3ghy h ASP 70 Cb 1.25 -0.15 -0.36 0.00 -0.56 0.00 0.00 39.33 39.51 3ghy h ASP 70 CO 0.65 1.75 -0.78 -0.69 -1.57 0.00 0.00 179.24 178.60 3ghy s VAL 71 N -2.53 0.70 -0.17 -1.35 1.01 -0.72 -1.19 120.40 116.14 3ghy s VAL 71 Ca -0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3ghy s VAL 71 Cb 0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3ghy s VAL 71 CO 0.80 0.29 -0.10 -0.69 0.00 0.00 0.00 175.10 175.39 3ghy s VAL 72 N 1.35 3.06 -0.37 2.92 1.01 -0.10 -0.91 120.40 127.36 3ghy s VAL 72 Ca -0.04 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 3ghy s VAL 72 Cb -0.14 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3ghy s VAL 72 CO -0.03 0.48 0.23 -0.63 0.00 0.00 0.00 175.10 175.16 3ghy s ILE 73 N 0.95 4.92 -0.41 2.22 1.01 0.11 -0.05 121.20 129.95 3ghy s ILE 73 Ca -0.02 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 3ghy s ILE 73 Cb -0.15 -3.66 0.08 0.00 0.01 0.00 0.00 42.46 38.74 3ghy s ILE 73 CO -0.01 -0.17 0.23 -0.69 0.00 0.00 0.00 174.94 174.30 3ghy s VAL 74 N 1.63 3.97 -0.50 2.92 1.01 0.12 -1.43 120.40 128.12 3ghy s VAL 74 Ca 0.04 -1.51 0.07 0.00 0.00 0.00 0.00 61.98 60.58 3ghy s VAL 74 Cb -0.18 -3.46 0.23 0.00 0.00 0.00 0.00 36.38 32.96 3ghy s VAL 74 CO 0.08 -0.50 0.57 0.00 0.00 0.00 0.00 175.10 175.25 3ghy n ALA 75 N 4.84 3.12 -2.57 5.51 0.00 -1.26 -1.15 120.51 128.99 3ghy n ALA 75 Ca -0.09 -3.91 -0.28 0.00 0.00 0.00 0.00 53.44 49.16 3ghy n ALA 75 Cb 0.43 -0.85 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 3ghy n ALA 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ghy s VAL 76 N -1.46 1.97 0.42 0.00 -7.23 -1.26 -4.36 120.40 108.48 3ghy s VAL 76 Ca 0.35 -1.89 -0.22 0.00 -1.81 0.00 0.00 61.98 58.42 3ghy s VAL 76 Cb 0.12 -2.86 -0.10 0.00 0.56 0.00 0.00 36.38 34.11 3ghy s VAL 76 CO -0.10 0.00 0.99 -0.54 -0.31 0.00 0.00 175.10 175.14 3ghy s LYS 77 N -3.81 4.17 0.25 4.82 1.02 -1.26 -4.72 119.74 120.21 3ghy s LYS 77 Ca 0.33 1.27 -0.03 0.00 0.02 0.00 0.00 55.97 57.56 3ghy s LYS 77 Cb 0.07 -2.31 0.50 0.00 -0.52 0.00 0.00 37.83 35.57 3ghy s LYS 77 CO 0.18 -0.09 1.72 0.00 -0.92 0.00 0.00 175.35 176.23 3ghy h ALA 78 N 2.12 1.12 0.00 5.17 0.00 -1.96 -2.11 119.26 123.59 3ghy h ALA 78 Ca -0.49 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3ghy h ALA 78 Cb 1.20 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3ghy h ALA 78 CO 0.61 -0.23 -0.26 -1.35 0.00 0.00 0.00 179.25 178.02 3ghy h PRO 79 N 0.43 0.00 0.00 0.00 0.11 -1.94 -2.60 132.00 128.01 3ghy h PRO 79 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3ghy h PRO 79 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3ghy h PRO 79 CO -0.43 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 177.62 3ghy h ALA 80 N 1.74 1.00 0.11 -0.75 0.00 -1.78 -3.35 119.26 116.23 3ghy h ALA 80 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ghy h ALA 80 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ghy h ALA 80 CO 0.03 0.00 -0.05 1.25 0.00 0.00 0.00 179.25 180.48 3ghy h LEU 81 N 0.00 -0.13 -1.12 0.00 5.85 -1.24 -2.38 115.31 116.29 3ghy h LEU 81 Ca 0.00 -0.17 0.40 0.00 0.84 0.00 0.00 57.88 58.95 3ghy h LEU 81 Cb 0.63 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 41.54 3ghy h LEU 81 CO 0.00 0.10 0.64 -0.33 -0.34 0.00 0.00 178.44 178.51 3ghy h GLU 82 N -0.36 0.11 -0.63 1.25 4.39 -1.72 2.74 114.58 120.36 3ghy h GLU 82 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3ghy h GLU 82 Cb 0.29 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3ghy h GLU 82 CO 0.03 0.07 0.00 0.45 -1.16 0.00 0.00 179.01 178.40 3ghy n SER 83 N -5.04 5.03 -0.06 1.42 2.88 -1.04 -4.26 113.62 112.56 3ghy n SER 83 Ca 0.36 -2.63 -0.08 0.00 -1.33 0.00 0.00 58.87 55.20 3ghy n SER 83 Cb 1.25 -0.62 -0.05 0.00 -0.75 0.00 0.00 64.21 64.04 3ghy n SER 83 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 3ghy n VAL 84 N 0.89 0.65 0.00 2.46 3.14 0.91 -4.55 118.33 121.83 3ghy n VAL 84 Ca 0.26 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 3ghy n VAL 84 Cb 1.00 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.88 3ghy n VAL 84 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ghy n ALA 85 N -2.82 -0.46 0.25 1.55 0.00 -0.52 -1.73 120.51 116.77 3ghy n ALA 85 Ca -0.20 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.33 3ghy n ALA 85 Cb 0.72 0.01 0.31 0.00 0.00 0.00 0.00 19.45 20.49 3ghy n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ghy h ALA 86 N -1.97 1.96 0.15 0.00 0.00 -1.85 1.07 119.26 118.63 3ghy h ALA 86 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 3ghy h ALA 86 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ghy h ALA 86 CO 0.00 -0.91 -1.40 0.78 0.00 0.00 0.00 179.25 177.72 3ghy h GLY 87 N 0.00 0.37 -3.93 0.00 0.00 -1.68 -3.33 103.07 94.51 3ghy h GLY 87 Ca 0.07 -0.95 -0.63 0.00 0.00 0.00 0.00 47.33 45.83 3ghy h GLY 87 CO -0.00 0.83 0.82 0.29 0.00 0.00 0.00 176.54 178.48 3ghy n ILE 88 N -3.55 3.52 0.08 2.60 -5.35 0.37 -4.46 119.36 112.56 3ghy n ILE 88 Ca -0.13 -2.75 -0.14 0.00 -0.27 0.00 0.00 62.75 59.46 3ghy n ILE 88 Cb 1.05 -1.18 -0.14 0.00 -1.74 0.00 0.00 39.64 37.64 3ghy n ILE 88 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ghy h ALA 89 N 1.92 0.24 0.00 -1.28 0.00 -1.64 -3.29 119.26 115.21 3ghy h ALA 89 Ca 0.57 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3ghy h ALA 89 Cb 0.84 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3ghy h ALA 89 CO 1.48 1.11 0.00 -1.35 0.00 0.00 0.00 179.25 180.50 3ghy h PRO 90 N 0.05 0.00 0.00 0.00 0.11 -1.86 -3.08 132.00 127.22 3ghy h PRO 90 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3ghy h PRO 90 Cb 1.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.05 3ghy h PRO 90 CO 0.17 0.00 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.76 3ghy h LEU 91 N 0.00 0.00 -8.73 2.35 3.38 -1.71 -2.78 115.31 107.82 3ghy h LEU 91 Ca 0.00 -0.02 -0.66 0.00 0.09 0.00 0.00 57.88 57.29 3ghy h LEU 91 Cb 0.80 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.36 3ghy h LEU 91 CO 0.00 0.01 -0.53 -0.63 0.09 0.00 0.00 178.44 177.38 3ghy s ILE 92 N -3.17 5.02 0.46 1.22 1.01 -1.16 -0.91 121.20 123.67 3ghy s ILE 92 Ca 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.61 3ghy s ILE 92 Cb 0.09 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 3ghy s ILE 92 CO 0.65 0.13 0.03 0.61 0.00 0.00 0.00 174.94 176.37 3ghy n GLY 93 N 5.04 3.53 0.38 6.18 0.00 -1.26 -4.93 105.19 114.14 3ghy n GLY 93 Ca -0.14 -2.31 0.20 0.00 0.00 0.00 0.00 46.02 43.78 3ghy n GLY 93 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ghy h PRO 94 N 0.00 0.47 -0.02 1.61 0.11 -1.97 -2.06 132.00 130.13 3ghy h PRO 94 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3ghy h PRO 94 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ghy h PRO 94 CO 0.62 0.31 -0.10 0.41 -0.21 0.00 0.00 178.00 179.03 3ghy n GLY 95 N -1.40 0.35 3.69 -0.55 0.00 -1.26 -4.98 105.19 101.05 3ghy n GLY 95 Ca 0.26 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3ghy n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ghy s THR 96 N -2.13 3.41 -0.19 2.61 2.01 -0.78 -4.94 115.64 115.63 3ghy s THR 96 Ca 0.29 0.87 -0.16 0.00 0.31 0.00 0.00 61.69 63.00 3ghy s THR 96 Cb 0.20 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3ghy s THR 96 CO 0.38 0.01 0.42 0.00 -0.69 0.00 0.00 174.62 174.74 3ghy s VAL 98 N 1.25 4.70 -0.38 0.00 1.01 0.89 -0.93 120.40 126.95 3ghy s VAL 98 Ca 0.21 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 3ghy s VAL 98 Cb -0.15 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3ghy s VAL 98 CO 0.08 -0.39 0.90 -0.69 0.00 0.00 0.00 175.10 175.00 3ghy s VAL 99 N 1.55 4.60 -0.42 2.92 1.01 0.93 0.06 120.40 131.05 3ghy s VAL 99 Ca 0.03 1.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.96 3ghy s VAL 99 Cb -0.21 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 31.90 3ghy s VAL 99 CO 0.06 -0.56 0.30 -0.69 0.00 0.00 0.00 175.10 174.21 3ghy s VAL 100 N 3.43 4.76 -0.72 2.92 1.01 -0.03 -0.70 120.40 131.08 3ghy s VAL 100 Ca 0.37 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3ghy s VAL 100 Cb -0.12 -3.79 0.18 0.00 0.00 0.00 0.00 36.38 32.64 3ghy s VAL 100 CO 0.19 -0.44 0.53 0.00 0.00 0.00 0.00 175.10 175.38 3ghy s ALA 101 N 1.56 3.83 0.13 5.51 0.00 -0.30 -1.17 121.76 131.31 3ghy s ALA 101 Ca 0.03 -3.66 0.06 0.00 0.00 0.00 0.00 51.96 48.39 3ghy s ALA 101 Cb -0.22 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 3ghy s ALA 101 CO 0.06 -2.10 -0.14 -1.64 0.00 0.00 0.00 175.76 171.94 3ghy s MET 102 N -1.03 1.06 0.47 0.00 -1.94 -1.26 -4.31 119.30 112.30 3ghy s MET 102 Ca 0.23 -1.30 -0.20 0.00 -1.71 0.00 0.00 55.69 52.71 3ghy s MET 102 Cb -0.11 -0.91 -0.09 0.00 2.01 0.00 0.00 34.83 35.73 3ghy s MET 102 CO -0.11 0.17 1.00 -0.80 -0.01 0.00 0.00 175.02 175.27 3ghy s ASN 103 N -2.61 6.59 0.12 3.03 0.01 -1.26 -4.86 114.94 115.96 3ghy s ASN 103 Ca 0.11 1.80 0.00 0.00 -0.71 0.00 0.00 52.86 54.06 3ghy s ASN 103 Cb -0.04 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3ghy s ASN 103 CO 0.03 -0.60 0.00 0.61 -1.51 0.00 0.00 177.10 175.63 3ghy n GLY 104 N -0.52 -0.15 3.63 0.66 0.00 -1.26 -4.68 105.19 102.88 3ghy n GLY 104 Ca 0.08 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 3ghy n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghy s VAL 105 N 0.00 5.03 0.55 1.61 1.01 -0.93 -4.97 120.40 122.69 3ghy s VAL 105 Ca 0.00 1.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.85 3ghy s VAL 105 Cb 0.00 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 3ghy s VAL 105 CO 0.00 0.08 1.04 -2.16 0.00 0.00 0.00 175.10 174.06 3ghy s PRO 106 N 2.22 3.56 0.40 2.72 0.04 -1.26 -4.89 135.00 137.78 3ghy s PRO 106 Ca 0.25 1.25 0.13 0.00 0.04 0.00 0.00 61.00 62.67 3ghy s PRO 106 Cb -0.16 -2.06 0.96 0.00 0.04 0.00 0.00 34.50 33.28 3ghy s PRO 106 CO 0.09 -0.62 1.90 0.11 0.04 0.00 0.00 177.00 178.52 3ghy h TRP 107 N 0.91 0.62 -0.01 0.56 0.09 -1.97 -2.12 115.95 114.03 3ghy h TRP 107 Ca -0.48 0.02 0.00 0.00 0.09 0.00 0.00 58.89 58.52 3ghy h TRP 107 Cb 1.22 -0.19 0.00 0.00 0.08 0.00 0.00 29.16 30.26 3ghy h TRP 107 CO 0.58 0.23 0.00 -2.67 0.09 0.00 0.00 178.44 176.67 3ghy n TRP 108 N -4.51 0.00 -0.32 0.12 4.27 -1.26 -4.65 117.44 111.09 3ghy n TRP 108 Ca 0.16 -0.00 0.23 0.00 -3.89 0.00 0.00 57.50 54.00 3ghy n TRP 108 Cb 0.51 0.00 0.45 0.00 -1.36 0.00 0.00 31.31 30.91 3ghy n TRP 108 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3ghy h PHE 109 N 1.18 0.71 -0.01 -2.67 3.57 -1.75 -1.78 116.94 116.18 3ghy h PHE 109 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3ghy h PHE 109 Cb 0.25 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3ghy h PHE 109 CO 0.00 -0.28 -0.00 1.19 -2.23 0.00 0.00 178.31 176.99 3ghy n PHE 110 N -5.17 0.00 -1.50 0.41 3.72 -1.26 -4.62 117.46 109.03 3ghy n PHE 110 Ca 0.30 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.29 3ghy n PHE 110 Cb 0.98 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.50 3ghy n PHE 110 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ghy n ASP 111 N 0.13 3.74 -3.53 4.37 8.00 -0.67 -2.81 116.55 125.77 3ghy n ASP 111 Ca 0.19 -2.76 -0.15 0.00 0.71 0.00 0.00 54.79 52.78 3ghy n ASP 111 Cb 0.35 -1.47 -0.05 0.00 -0.02 0.00 0.00 41.12 39.93 3ghy n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ghy s ARG 112 N 3.71 1.07 0.39 -1.24 3.03 -1.26 -3.81 118.95 120.84 3ghy s ARG 112 Ca 0.51 -0.09 -0.28 0.00 2.03 0.00 0.00 55.73 57.91 3ghy s ARG 112 Cb 0.14 0.50 -0.11 0.00 -1.03 0.00 0.00 34.95 34.45 3ghy s ARG 112 CO -0.02 -0.38 1.48 -1.25 -1.13 0.00 0.00 175.30 174.00 3ghy s PRO 113 N -2.17 4.04 0.00 3.89 0.04 -1.26 -4.65 135.00 134.89 3ghy s PRO 113 Ca -0.07 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3ghy s PRO 113 Cb -0.01 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3ghy s PRO 113 CO 0.01 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.87 3ghy n GLY 114 N 0.46 0.45 3.65 0.56 0.00 -1.26 -5.04 105.19 104.01 3ghy n GLY 114 Ca 0.02 -2.20 -0.49 0.00 0.00 0.00 0.00 46.02 43.35 3ghy n GLY 114 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ghy n PRO 115 N 0.00 1.80 -3.80 1.61 -0.02 -1.26 -2.95 135.00 130.37 3ghy n PRO 115 Ca 0.00 0.65 -0.25 0.00 -2.02 0.00 0.00 63.50 61.88 3ghy n PRO 115 Cb 0.00 -2.38 0.03 0.00 -0.02 0.00 0.00 33.50 31.12 3ghy n PRO 115 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ghy n LEU 116 N 3.50 -2.82 -4.69 2.45 4.77 -1.26 -4.91 117.00 114.05 3ghy n LEU 116 Ca 0.18 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.92 3ghy n LEU 116 Cb 0.25 -2.59 -0.03 0.00 -2.33 0.00 0.00 43.42 38.73 3ghy n LEU 116 CO 0.65 0.43 1.38 -1.58 -1.33 0.00 0.00 177.39 176.94 3ghy s GLN 117 N -6.27 4.18 0.00 3.23 0.74 -1.15 -2.14 119.66 118.24 3ghy s GLN 117 Ca 0.26 2.41 0.00 0.00 0.05 0.00 0.00 55.36 58.07 3ghy s GLN 117 Cb -0.13 -3.65 0.00 0.00 1.10 0.00 0.00 33.01 30.33 3ghy s GLN 117 CO 0.83 -0.78 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 3ghy n GLY 118 N 4.09 0.54 3.65 2.59 0.00 -1.12 -4.98 105.19 109.96 3ghy n GLY 118 Ca 0.17 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3ghy n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ghy s GLN 119 N -0.61 4.07 -0.06 1.61 -0.44 -0.91 -4.97 119.66 118.36 3ghy s GLN 119 Ca 0.00 2.10 -0.30 0.00 -2.50 0.00 0.00 55.36 54.66 3ghy s GLN 119 Cb 0.00 -4.01 -0.02 0.00 -1.64 0.00 0.00 33.01 27.33 3ghy s GLN 119 CO 0.00 -0.98 1.05 0.50 0.50 0.00 0.00 175.29 176.37 3ghy s ARG 120 N 4.25 4.44 -0.28 1.67 3.52 -1.26 -4.76 118.95 126.53 3ghy s ARG 120 Ca 0.74 1.48 -0.14 0.00 -0.13 0.00 0.00 55.73 57.69 3ghy s ARG 120 Cb -0.32 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 3ghy s ARG 120 CO 0.30 -0.28 0.32 -0.51 -0.81 0.00 0.00 175.30 174.32 3ghy s LEU 121 N 1.76 4.07 0.44 -0.88 1.43 -1.26 -4.96 118.68 119.28 3ghy s LEU 121 Ca 0.51 0.16 0.21 0.00 -1.03 0.00 0.00 54.13 53.98 3ghy s LEU 121 Cb -0.21 -2.33 1.00 0.00 0.03 0.00 0.00 46.19 44.68 3ghy s LEU 121 CO 0.22 -0.16 1.89 1.56 0.23 0.00 0.00 176.35 180.09 3ghy h GLN 122 N 8.26 0.00 0.00 1.70 1.08 -1.91 0.07 115.11 124.31 3ghy h GLN 122 Ca -0.32 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.80 3ghy h GLN 122 Cb 1.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 3ghy h GLN 122 CO 0.62 0.26 -0.35 0.00 -0.95 0.00 0.00 178.83 178.41 3ghy h ALA 123 N 1.74 1.28 0.00 3.87 0.00 -1.91 -3.29 119.26 120.96 3ghy h ALA 123 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3ghy h ALA 123 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ghy h ALA 123 CO 0.03 0.44 -1.26 1.33 0.00 0.00 0.00 179.25 179.79 3ghy n VAL 124 N -3.92 0.26 -3.20 0.00 0.24 -1.09 -4.50 118.33 106.12 3ghy n VAL 124 Ca -0.02 -0.14 -0.21 0.00 -2.04 0.00 0.00 64.34 61.94 3ghy n VAL 124 Cb 0.41 -0.83 -0.06 0.00 -1.47 0.00 0.00 33.84 31.89 3ghy n VAL 124 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3ghy n ASP 125 N -2.30 -1.14 -0.16 -1.34 2.03 -0.01 -4.88 116.55 108.75 3ghy n ASP 125 Ca -0.07 -2.58 -0.12 0.00 0.52 0.00 0.00 54.79 52.54 3ghy n ASP 125 Cb 0.61 0.04 -0.00 0.00 -0.72 0.00 0.00 41.12 41.05 3ghy n ASP 125 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ghy h PRO 126 N 5.16 1.00 -0.64 -0.67 0.13 -1.67 -3.19 132.00 132.12 3ghy h PRO 126 Ca 0.17 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ghy h PRO 126 Cb 0.95 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3ghy h PRO 126 CO 0.31 1.11 0.00 0.72 -0.23 0.00 0.00 178.00 179.91 3ghy n HIS 127 N -4.11 0.86 -1.07 1.56 8.25 -1.26 -4.90 115.22 114.54 3ghy n HIS 127 Ca -0.00 -0.45 -0.02 0.00 -0.26 0.00 0.00 57.72 56.98 3ghy n HIS 127 Cb 0.46 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.56 3ghy n HIS 127 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ghy n GLY 128 N 1.54 0.52 0.16 -1.41 0.00 -1.21 -4.90 105.19 99.89 3ghy n GLY 128 Ca 0.23 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.05 3ghy n GLY 128 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ghy h ARG 129 N 0.43 0.00 0.06 1.61 3.08 -1.93 -3.09 114.38 114.54 3ghy h ARG 129 Ca -0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 3ghy h ARG 129 Cb 0.43 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.49 3ghy h ARG 129 CO 0.07 0.51 -0.76 0.82 -1.07 0.00 0.00 179.97 179.55 3ghy h ILE 130 N 0.00 1.44 0.00 2.04 2.04 -1.90 -2.66 117.51 118.46 3ghy h ILE 130 Ca -0.01 -2.28 -0.04 0.00 1.00 0.00 0.00 64.86 63.54 3ghy h ILE 130 Cb 0.99 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.86 3ghy h ILE 130 CO 0.07 0.66 -0.18 0.00 0.00 0.00 0.00 178.15 178.70 3ghy h ALA 131 N 0.24 1.25 0.00 1.87 0.00 -1.77 0.12 119.26 120.97 3ghy h ALA 131 Ca -0.11 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 3ghy h ALA 131 Cb 1.50 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 3ghy h ALA 131 CO 0.15 0.22 -1.24 -0.56 0.00 0.00 0.00 179.25 177.81 3ghy h GLN 132 N 0.00 0.00 0.04 0.00 -0.00 -1.61 -3.06 115.11 110.47 3ghy h GLN 132 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.42 3ghy h GLN 132 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.92 3ghy h GLN 132 CO 0.02 0.56 -1.07 0.00 -0.00 0.00 0.00 178.83 178.35 3ghy h ALA 133 N 1.20 0.28 -2.99 0.06 0.00 -1.15 -3.39 119.26 113.27 3ghy h ALA 133 Ca -0.14 -0.91 -0.61 0.00 0.00 0.00 0.00 54.91 53.25 3ghy h ALA 133 Cb 1.73 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 19.00 3ghy h ALA 133 CO 0.08 1.18 -0.72 0.42 0.00 0.00 0.00 179.25 180.21 3ghy s ILE 134 N -2.69 1.73 0.55 0.00 1.01 0.39 -4.83 121.20 117.37 3ghy s ILE 134 Ca -0.00 -3.00 -0.21 0.00 0.00 0.00 0.00 60.65 57.43 3ghy s ILE 134 Cb 0.09 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 3ghy s ILE 134 CO 0.84 -0.94 1.36 -2.84 0.00 0.00 0.00 174.94 173.36 3ghy s PRO 135 N -0.11 3.09 0.41 2.79 0.02 -1.16 -4.44 135.00 135.60 3ghy s PRO 135 Ca 0.21 2.24 0.19 0.00 0.02 0.00 0.00 61.00 63.65 3ghy s PRO 135 Cb -0.18 -2.23 0.91 0.00 0.02 0.00 0.00 34.50 33.03 3ghy s PRO 135 CO -0.05 -1.23 1.87 1.15 -0.33 0.00 0.00 177.00 178.40 3ghy h THR 136 N 1.38 0.95 0.00 0.99 2.02 -1.97 -2.76 112.91 113.51 3ghy h THR 136 Ca -0.51 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 65.52 3ghy h THR 136 Cb 1.30 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 69.37 3ghy h THR 136 CO 0.57 0.29 -0.08 0.08 0.37 0.00 0.00 175.52 176.76 3ghy h ARG 137 N 0.00 0.00 0.00 6.66 0.11 -1.99 -0.90 114.38 118.26 3ghy h ARG 137 Ca -0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 3ghy h ARG 137 Cb 0.64 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.71 3ghy h ARG 137 CO 0.04 0.08 -0.43 0.45 0.10 0.00 0.00 179.97 180.21 3ghy h HIS 138 N 0.00 0.00 -3.44 4.08 3.86 -1.75 -3.47 115.15 114.43 3ghy h HIS 138 Ca -0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3ghy h HIS 138 Cb 0.27 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 3ghy h HIS 138 CO 0.00 0.43 0.12 0.14 0.86 0.00 0.00 177.93 179.48 3ghy s VAL 139 N -3.32 4.49 -0.12 2.45 -7.23 -0.34 -0.08 120.40 116.24 3ghy s VAL 139 Ca 0.02 1.57 0.03 0.00 -1.81 0.00 0.00 61.98 61.78 3ghy s VAL 139 Cb 0.09 -4.07 0.00 0.00 0.56 0.00 0.00 36.38 32.96 3ghy s VAL 139 CO 0.71 0.52 -0.21 -0.22 -0.31 0.00 0.00 175.10 175.59 3ghy s LEU 140 N -1.06 2.23 0.33 1.32 2.96 0.11 -4.52 118.68 120.04 3ghy s LEU 140 Ca 0.34 -0.53 -0.26 0.00 -0.22 0.00 0.00 54.13 53.46 3ghy s LEU 140 Cb -0.22 -1.47 -0.10 0.00 0.50 0.00 0.00 46.19 44.91 3ghy s LEU 140 CO 0.24 0.13 0.96 -0.83 -1.32 0.00 0.00 176.35 175.52 3ghy s GLY 141 N 0.54 2.81 -0.06 7.98 0.00 -0.30 -0.85 107.32 117.45 3ghy s GLY 141 Ca -0.13 0.55 -0.01 0.00 0.00 0.00 0.00 44.72 45.13 3ghy s GLY 141 CO 0.04 0.99 0.02 0.00 0.00 0.00 0.00 173.10 174.16 3ghy s VAL 143 N 1.98 5.30 -0.16 0.00 1.01 0.04 -4.05 120.40 124.52 3ghy s VAL 143 Ca 0.04 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 3ghy s VAL 143 Cb -0.12 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3ghy s VAL 143 CO -0.04 0.22 0.43 0.54 0.00 0.00 0.00 175.10 176.26 3ghy s VAL 144 N 1.76 5.20 -0.19 2.92 0.11 -1.26 -0.52 120.40 128.41 3ghy s VAL 144 Ca 0.07 0.83 0.13 0.00 -2.93 0.00 0.00 61.98 60.08 3ghy s VAL 144 Cb -0.16 -3.77 0.39 0.00 -1.53 0.00 0.00 36.38 31.31 3ghy s VAL 144 CO 0.11 0.29 1.22 1.41 -3.33 0.00 0.00 175.10 174.80 3ghy n HIS 145 N 4.05 0.10 -4.60 1.54 8.25 0.30 -5.00 115.22 119.86 3ghy n HIS 145 Ca -0.08 -1.36 -0.28 0.00 -0.26 0.00 0.00 57.72 55.75 3ghy n HIS 145 Cb 0.51 -0.24 -0.11 0.00 1.12 0.00 0.00 29.99 31.27 3ghy n HIS 145 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 3ghy s LEU 146 N -3.13 2.88 0.06 2.41 0.05 -1.19 -4.41 118.68 115.35 3ghy s LEU 146 Ca 0.37 -1.36 0.07 0.00 0.05 0.00 0.00 54.13 53.26 3ghy s LEU 146 Cb 0.35 -0.92 -0.03 0.00 -2.05 0.00 0.00 46.19 43.54 3ghy s LEU 146 CO -0.03 -0.46 -0.20 0.42 -0.55 0.00 0.00 176.35 175.52 3ghy s THR 147 N -2.71 1.60 0.26 5.48 -4.23 -0.20 -4.99 115.64 110.85 3ghy s THR 147 Ca 0.35 -1.27 -0.21 0.00 -1.18 0.00 0.00 61.69 59.38 3ghy s THR 147 Cb 0.10 -1.41 0.05 0.00 1.34 0.00 0.00 72.50 72.57 3ghy s THR 147 CO 0.18 0.10 0.85 0.00 -0.54 0.00 0.00 174.62 175.21 3ghy s ALA 149 N -3.06 -0.48 -0.30 0.00 0.00 0.39 -4.80 121.76 113.51 3ghy s ALA 149 Ca 0.14 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.56 3ghy s ALA 149 Cb -0.04 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 3ghy s ALA 149 CO 0.07 -0.51 0.57 0.99 0.00 0.00 0.00 175.76 176.87 3ghy s THR 150 N -3.51 5.00 0.00 0.00 2.01 -1.26 -0.12 115.64 117.76 3ghy s THR 150 Ca 0.02 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.78 3ghy s THR 150 Cb 0.03 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.61 3ghy s THR 150 CO -0.09 -0.08 0.14 0.52 -0.69 0.00 0.00 174.62 174.43 3ghy n VAL 151 N 5.32 0.00 -4.30 3.82 0.31 -0.78 -4.96 118.33 117.74 3ghy n VAL 151 Ca -0.03 0.33 -0.24 0.00 -0.01 0.00 0.00 64.34 64.39 3ghy n VAL 151 Cb 0.49 -0.71 -0.08 0.00 -0.91 0.00 0.00 33.84 32.64 3ghy n VAL 151 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3ghy s SER 152 N -1.38 4.43 -0.44 4.52 1.04 -1.25 -5.03 113.70 115.60 3ghy s SER 152 Ca 0.00 -0.65 -0.45 0.00 0.48 0.00 0.00 55.95 55.33 3ghy s SER 152 Cb 0.00 -0.79 -0.19 0.00 0.10 0.00 0.00 66.02 65.14 3ghy s SER 152 CO 0.00 0.03 1.59 -2.65 0.98 0.00 0.00 173.24 173.19 3ghy n PRO 153 N -0.66 0.19 -1.00 4.02 -0.01 -1.26 -0.64 135.00 135.64 3ghy n PRO 153 Ca -0.07 0.07 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 3ghy n PRO 153 Cb 0.58 -1.60 0.00 0.00 -0.01 0.00 0.00 33.50 32.47 3ghy n PRO 153 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3ghy n GLY 154 N 3.90 0.60 3.06 -1.23 0.00 -1.26 -4.77 105.19 105.48 3ghy n GLY 154 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 3ghy n GLY 154 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ghy s HIS 155 N -2.41 2.41 -0.09 1.61 5.04 0.19 -1.12 115.29 120.91 3ghy s HIS 155 Ca 0.00 -1.40 -0.01 0.00 -1.54 0.00 0.00 55.06 52.11 3ghy s HIS 155 Cb 0.00 -1.72 -0.03 0.00 0.04 0.00 0.00 32.58 30.87 3ghy s HIS 155 CO 0.00 -0.73 -0.02 0.42 -2.34 0.00 0.00 174.74 172.07 3ghy s ILE 156 N 1.41 4.08 -0.24 0.89 -1.09 0.16 -1.87 121.20 124.54 3ghy s ILE 156 Ca 0.05 -0.33 -0.01 0.00 -2.23 0.00 0.00 60.65 58.13 3ghy s ILE 156 Cb -0.13 -2.71 0.03 0.00 -1.58 0.00 0.00 42.46 38.06 3ghy s ILE 156 CO -0.11 0.59 -0.09 -0.60 -1.23 0.00 0.00 174.94 173.49 3ghy s ARG 157 N -0.67 2.84 0.12 2.79 3.52 0.83 -0.32 118.95 128.06 3ghy s ARG 157 Ca 0.10 -0.96 -0.31 0.00 -0.13 0.00 0.00 55.73 54.43 3ghy s ARG 157 Cb -0.12 -2.90 -0.07 0.00 -1.56 0.00 0.00 34.95 30.30 3ghy s ARG 157 CO 0.02 -0.37 1.27 -1.58 -0.81 0.00 0.00 175.30 173.83 3ghy s HIS 158 N 1.31 3.36 0.00 5.12 5.65 -0.36 -0.46 115.29 129.90 3ghy s HIS 158 Ca 0.00 1.22 0.00 0.00 0.25 0.00 0.00 55.06 56.53 3ghy s HIS 158 Cb -0.16 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 27.72 3ghy s HIS 158 CO -0.06 -1.66 0.00 0.41 -0.65 0.00 0.00 174.74 172.78 3ghy n GLY 159 N 2.96 1.57 2.99 1.59 0.00 0.44 -4.88 105.19 109.87 3ghy n GLY 159 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3ghy n GLY 159 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ghy s ASN 160 N -1.00 -0.12 0.00 1.61 3.84 -1.11 -4.97 114.94 113.19 3ghy s ASN 160 Ca 0.00 0.23 0.00 0.00 0.21 0.00 0.00 52.86 53.30 3ghy s ASN 160 Cb 0.00 0.24 0.00 0.00 -0.55 0.00 0.00 41.25 40.94 3ghy s ASN 160 CO 0.00 -0.04 0.00 0.61 -2.79 0.00 0.00 177.10 174.88 3ghy n GLY 161 N 3.03 1.82 0.00 1.21 0.00 -1.26 -1.03 105.19 108.95 3ghy n GLY 161 Ca -0.12 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3ghy n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ghy n ARG 162 N 1.12 0.00 -2.84 1.61 5.12 -1.26 -4.72 116.66 115.69 3ghy n ARG 162 Ca 0.00 -0.18 -0.41 0.00 -1.93 0.00 0.00 57.85 55.33 3ghy n ARG 162 Cb 0.00 -0.45 -0.04 0.00 -1.16 0.00 0.00 32.46 30.81 3ghy n ARG 162 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3ghy s ARG 163 N 0.00 4.53 -0.00 5.56 3.52 -1.26 -0.87 118.95 130.42 3ghy s ARG 163 Ca 0.00 1.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.83 3ghy s ARG 163 Cb 0.00 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 3ghy s ARG 163 CO 0.00 0.04 -0.00 -0.51 -0.81 0.00 0.00 175.30 174.02 3ghy s LEU 164 N 0.75 1.83 -0.17 -0.88 1.02 -1.05 -0.54 118.68 119.64 3ghy s LEU 164 Ca 0.46 -0.01 -0.02 0.00 0.02 0.00 0.00 54.13 54.58 3ghy s LEU 164 Cb -0.20 -0.06 -0.01 0.00 0.02 0.00 0.00 46.19 45.94 3ghy s LEU 164 CO 0.25 -0.01 -0.08 -0.63 0.02 0.00 0.00 176.35 175.89 3ghy s ILE 165 N 0.18 3.29 0.03 -0.59 1.01 0.33 -0.39 121.20 125.06 3ghy s ILE 165 Ca -0.02 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.14 3ghy s ILE 165 Cb -0.03 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 3ghy s ILE 165 CO -0.01 0.49 -0.13 -0.76 0.00 0.00 0.00 174.94 174.53 3ghy s LEU 166 N 0.75 2.85 0.03 2.97 1.43 0.94 -0.78 118.68 126.87 3ghy s LEU 166 Ca -0.04 -0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 52.48 3ghy s LEU 166 Cb -0.15 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.50 3ghy s LEU 166 CO 0.02 0.26 0.70 -0.83 0.23 0.00 0.00 176.35 176.73 3ghy s GLY 167 N -1.45 -0.55 -0.03 -3.19 0.00 -0.67 -0.23 107.32 101.19 3ghy s GLY 167 Ca 0.16 1.00 -0.29 0.00 0.00 0.00 0.00 44.72 45.59 3ghy s GLY 167 CO 0.06 0.55 0.94 -0.54 0.00 0.00 0.00 173.10 174.12 3ghy s GLU 168 N -2.50 4.52 0.28 2.90 0.41 -1.26 -1.15 118.70 121.90 3ghy s GLU 168 Ca -0.03 1.33 0.01 0.00 -0.41 0.00 0.00 54.97 55.87 3ghy s GLU 168 Cb -0.01 -3.47 0.59 0.00 -1.78 0.00 0.00 34.13 29.46 3ghy s GLU 168 CO -0.03 -0.08 1.78 -1.35 -0.49 0.00 0.00 175.26 175.09 3ghy h PRO 169 N 6.86 0.73 0.00 0.39 0.11 -1.89 0.12 132.00 138.32 3ghy h PRO 169 Ca -0.39 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 3ghy h PRO 169 Cb 1.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3ghy h PRO 169 CO 0.77 0.49 -0.35 0.00 -0.21 0.00 0.00 178.00 178.69 3ghy h ALA 170 N 1.57 1.14 0.00 -0.75 0.00 -1.94 -3.39 119.26 115.90 3ghy h ALA 170 Ca 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ghy h ALA 170 Cb 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ghy h ALA 170 CO -0.34 0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.76 3ghy n GLY 171 N -0.10 2.82 0.71 0.00 0.00 0.03 -4.65 105.19 103.99 3ghy n GLY 171 Ca -0.01 -1.94 0.09 0.00 0.00 0.00 0.00 46.02 44.17 3ghy n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ghy n GLY 172 N 0.29 -1.90 3.78 -0.02 0.00 0.46 -4.81 105.19 102.98 3ghy n GLY 172 Ca 0.00 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 3ghy n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghy s ALA 173 N -2.06 2.42 -0.00 4.61 0.00 -1.26 -4.42 121.76 121.05 3ghy s ALA 173 Ca 0.00 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.04 3ghy s ALA 173 Cb 0.00 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.91 3ghy s ALA 173 CO 0.00 -1.46 0.57 -1.54 0.00 0.00 0.00 175.76 173.33 3ghy s SER 174 N -3.16 -0.51 0.25 0.00 1.04 -1.26 -5.04 113.70 105.01 3ghy s SER 174 Ca 0.63 0.40 -0.04 0.00 0.48 0.00 0.00 55.95 57.42 3ghy s SER 174 Cb -0.18 0.49 0.48 0.00 0.10 0.00 0.00 66.02 66.92 3ghy s SER 174 CO 0.50 -0.64 1.69 -0.65 0.98 0.00 0.00 173.24 175.11 3ghy h PRO 175 N 2.99 0.27 0.00 4.02 0.11 -2.00 -2.55 132.00 134.84 3ghy h PRO 175 Ca -0.29 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.70 3ghy h PRO 175 Cb 1.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3ghy h PRO 175 CO 0.40 0.18 -0.47 0.07 -0.21 0.00 0.00 178.00 177.96 3ghy h ARG 176 N 0.28 0.00 -0.69 1.05 0.11 -1.99 -2.03 114.38 111.12 3ghy h ARG 176 Ca 0.43 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.43 3ghy h ARG 176 Cb 0.73 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.78 3ghy h ARG 176 CO -0.51 0.47 0.14 1.25 0.10 0.00 0.00 179.97 181.41 3ghy h LEU 177 N 0.00 1.06 -0.64 0.08 5.85 -1.87 -0.18 115.31 119.61 3ghy h LEU 177 Ca -0.00 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.33 3ghy h LEU 177 Cb 0.89 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3ghy h LEU 177 CO 0.06 1.04 -0.48 0.00 -0.34 0.00 0.00 178.44 178.72 3ghy h ALA 178 N 1.09 0.82 -0.13 1.25 0.00 -1.25 -1.98 119.26 119.06 3ghy h ALA 178 Ca 0.21 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 3ghy h ALA 178 Cb 0.41 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ghy h ALA 178 CO 0.01 0.66 -0.74 0.66 0.00 0.00 0.00 179.25 179.84 3ghy h SER 179 N 0.39 0.89 -0.48 0.00 4.64 -1.17 -1.98 113.55 115.83 3ghy h SER 179 Ca 0.02 -0.64 -0.02 0.00 -0.47 0.00 0.00 61.79 60.68 3ghy h SER 179 Cb 0.98 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 3ghy h SER 179 CO 0.09 1.39 0.21 0.40 -0.87 0.00 0.00 176.83 178.04 3ghy h ILE 180 N 0.45 1.20 -0.61 0.95 1.08 -1.06 -0.95 117.51 118.58 3ghy h ILE 180 Ca -0.06 -0.60 -0.02 0.00 -0.39 0.00 0.00 64.86 63.79 3ghy h ILE 180 Cb 1.38 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.81 3ghy h ILE 180 CO 0.15 0.23 0.29 0.00 -0.69 0.00 0.00 178.15 178.14 3ghy h ALA 181 N 1.05 0.78 -0.59 1.87 0.00 -1.39 -1.44 119.26 119.55 3ghy h ALA 181 Ca 0.16 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3ghy h ALA 181 Cb 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ghy h ALA 181 CO -0.02 0.34 0.02 0.00 0.00 0.00 0.00 179.25 179.60 3ghy h ALA 182 N 1.12 0.93 0.26 0.00 0.00 -1.26 0.22 119.26 120.53 3ghy h ALA 182 Ca 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ghy h ALA 182 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ghy h ALA 182 CO -0.03 0.65 -0.21 1.25 0.00 0.00 0.00 179.25 180.91 3ghy h LEU 183 N 0.93 -0.55 -0.84 0.00 5.85 -0.87 -0.52 115.31 119.30 3ghy h LEU 183 Ca 0.17 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3ghy h LEU 183 Cb 0.51 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3ghy h LEU 183 CO 0.02 -0.32 0.53 -0.26 -0.34 0.00 0.00 178.44 178.08 3ghy h PHE 184 N -0.48 1.07 -0.84 1.25 0.04 -1.13 -2.42 116.94 114.42 3ghy h PHE 184 Ca -0.01 0.01 0.12 0.00 2.80 0.00 0.00 57.97 60.89 3ghy h PHE 184 Cb 0.43 -0.36 -0.08 0.00 2.20 0.00 0.00 35.95 38.14 3ghy h PHE 184 CO -0.13 0.69 0.46 0.78 -0.60 0.00 0.00 178.31 179.51 3ghy h GLY 185 N 1.14 1.34 2.00 -1.45 0.00 -0.39 -0.88 103.07 104.83 3ghy h GLY 185 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3ghy h GLY 185 CO -0.06 0.05 0.00 3.21 0.00 0.00 0.00 176.54 179.73 3ghy h ARG 186 N 0.71 0.00 -0.64 4.80 3.08 -0.60 -2.70 114.38 119.04 3ghy h ARG 186 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3ghy h ARG 186 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3ghy h ARG 186 CO -0.31 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.59 3ghy n ALA 187 N -2.08 3.01 -0.76 0.04 0.00 -0.43 -4.79 120.51 115.51 3ghy n ALA 187 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.11 3ghy n ALA 187 Cb 0.26 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3ghy n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ghy n GLY 188 N 1.03 0.63 3.82 0.00 0.00 -1.02 -4.66 105.19 104.99 3ghy n GLY 188 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 3ghy n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ghy s LEU 189 N 0.00 4.50 -1.10 0.99 1.43 -0.66 -4.91 118.68 118.93 3ghy s LEU 189 Ca 0.00 1.12 -0.15 0.00 -1.03 0.00 0.00 54.13 54.07 3ghy s LEU 189 Cb 0.00 -2.76 0.17 0.00 0.03 0.00 0.00 46.19 43.63 3ghy s LEU 189 CO 0.00 0.29 1.28 -1.10 0.23 0.00 0.00 176.35 177.05 3ghy s GLN 190 N -1.03 3.94 -0.25 1.70 -1.52 -0.05 -3.55 119.66 118.90 3ghy s GLN 190 Ca 0.27 -2.41 -0.21 0.00 -1.95 0.00 0.00 55.36 51.06 3ghy s GLN 190 Cb -0.18 -4.94 -0.02 0.00 -0.22 0.00 0.00 33.01 27.65 3ghy s GLN 190 CO 0.16 -1.69 0.67 0.00 -0.25 0.00 0.00 175.29 174.18 3ghy s ALA 191 N 1.54 3.62 0.05 6.09 0.00 -1.26 -2.53 121.76 129.26 3ghy s ALA 191 Ca 0.37 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.99 3ghy s ALA 191 Cb -0.04 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3ghy s ALA 191 CO -0.04 -0.84 -0.02 -1.21 0.00 0.00 0.00 175.76 173.65 3ghy s GLU 192 N 2.57 2.59 -0.18 0.00 2.02 0.47 -4.94 118.70 121.24 3ghy s GLU 192 Ca 0.28 -0.76 -0.07 0.00 0.02 0.00 0.00 54.97 54.44 3ghy s GLU 192 Cb -0.15 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 3ghy s GLU 192 CO 0.08 0.58 0.04 0.00 0.02 0.00 0.00 175.26 175.98 3ghy s SER 194 N 0.43 6.27 0.15 0.00 0.15 0.68 -4.92 113.70 116.45 3ghy s SER 194 Ca 0.02 0.23 0.22 0.00 0.70 0.00 0.00 55.95 57.12 3ghy s SER 194 Cb -0.13 -1.91 -0.07 0.00 -1.71 0.00 0.00 66.02 62.21 3ghy s SER 194 CO 0.01 0.16 0.93 -0.62 1.20 0.00 0.00 173.24 174.92 3ghy n GLU 195 N 0.26 0.62 -3.38 5.44 1.02 -1.26 -4.52 120.64 118.82 3ghy n GLU 195 Ca -0.05 0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 56.97 3ghy n GLU 195 Cb 0.51 -1.77 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 3ghy n GLU 195 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ghy s ALA 196 N -3.35 -0.17 0.51 0.62 0.00 -1.26 -0.40 121.76 117.71 3ghy s ALA 196 Ca -0.02 -1.17 0.35 0.00 0.00 0.00 0.00 51.96 51.12 3ghy s ALA 196 Cb 0.10 -1.97 1.87 0.00 0.00 0.00 0.00 23.12 23.13 3ghy s ALA 196 CO 0.81 -2.14 2.21 0.97 0.00 0.00 0.00 175.76 177.61 3ghy h ILE 197 N 5.03 0.31 -0.24 0.00 6.09 -1.83 -1.67 117.51 125.20 3ghy h ILE 197 Ca 0.05 -0.21 -0.00 0.00 -1.37 0.00 0.00 64.86 63.33 3ghy h ILE 197 Cb 1.04 1.16 -0.01 0.00 0.47 0.00 0.00 36.82 39.47 3ghy h ILE 197 CO 0.21 0.03 0.14 1.56 -3.07 0.00 0.00 178.15 177.03 3ghy h GLN 198 N 0.00 0.31 0.00 2.19 7.50 -1.92 -0.60 115.11 122.59 3ghy h GLN 198 Ca -0.00 -0.02 -0.13 0.00 0.50 0.00 0.00 58.65 59.00 3ghy h GLN 198 Cb 0.15 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.60 3ghy h GLN 198 CO 0.00 0.22 -0.60 0.00 -1.50 0.00 0.00 178.83 176.96 3ghy h ARG 199 N 0.32 0.00 0.00 1.46 3.08 -1.64 -1.60 114.38 116.00 3ghy h ARG 199 Ca 0.09 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.95 3ghy h ARG 199 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3ghy h ARG 199 CO -0.02 0.60 -0.96 -0.44 -1.07 0.00 0.00 179.97 178.08 3ghy h ASP 200 N 0.00 0.00 -0.09 7.04 3.32 -1.44 -2.59 116.42 122.67 3ghy h ASP 200 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3ghy h ASP 200 Cb 1.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 3ghy h ASP 200 CO 0.08 0.83 -0.01 0.40 -1.72 0.00 0.00 179.24 178.81 3ghy h ILE 201 N 0.00 1.28 -0.48 0.35 2.04 -1.06 -2.81 117.51 116.82 3ghy h ILE 201 Ca -0.05 -0.88 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 3ghy h ILE 201 Cb 1.67 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 3ghy h ILE 201 CO 0.10 0.25 -0.19 -0.25 0.00 0.00 0.00 178.15 178.06 3ghy h TRP 202 N -0.15 1.10 -0.17 1.37 2.91 -1.38 -1.76 115.95 117.87 3ghy h TRP 202 Ca 0.02 -0.25 -0.00 0.00 1.13 0.00 0.00 58.89 59.79 3ghy h TRP 202 Cb 0.40 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 3ghy h TRP 202 CO 0.05 1.06 0.09 0.35 -1.03 0.00 0.00 178.44 178.96 3ghy h PHE 203 N 0.84 0.24 -0.62 2.65 3.57 -1.53 0.26 116.94 122.35 3ghy h PHE 203 Ca 0.12 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3ghy h PHE 203 Cb 0.76 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3ghy h PHE 203 CO 0.05 0.23 0.13 -0.22 -2.23 0.00 0.00 178.31 176.27 3ghy h LYS 204 N 0.18 1.00 -0.31 1.11 3.64 -1.49 -2.83 116.57 117.87 3ghy h LYS 204 Ca 0.06 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 3ghy h LYS 204 Cb 0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3ghy h LYS 204 CO -0.01 0.92 0.17 1.25 -2.27 0.00 0.00 179.45 179.51 3ghy h LEU 205 N 0.91 0.39 -1.04 5.20 5.85 -1.10 -2.81 115.31 122.72 3ghy h LEU 205 Ca 0.19 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3ghy h LEU 205 Cb 0.38 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3ghy h LEU 205 CO 0.01 0.37 0.65 -0.25 -0.34 0.00 0.00 178.44 178.88 3ghy h TRP 206 N 0.38 1.22 -0.05 1.25 7.01 -0.29 0.35 115.95 125.81 3ghy h TRP 206 Ca 0.11 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.14 3ghy h TRP 206 Cb 0.07 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 26.72 3ghy h TRP 206 CO -0.03 0.72 0.00 0.41 -2.79 0.00 0.00 178.44 176.75 3ghy n GLY 207 N -1.38 -0.11 0.00 2.65 0.00 -1.08 -3.93 105.19 101.33 3ghy n GLY 207 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3ghy n GLY 207 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ghy n ASN 208 N 0.00 0.20 -0.01 1.61 3.02 -0.68 -4.78 115.26 114.62 3ghy n ASN 208 Ca 0.19 -0.54 -0.05 0.00 -0.03 0.00 0.00 54.58 54.14 3ghy n ASN 208 Cb 0.30 0.55 0.15 0.00 -0.61 0.00 0.00 39.78 40.17 3ghy n ASN 208 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3ghy h MET 209 N 0.00 0.56 0.12 3.52 4.05 -0.46 -2.83 114.93 119.90 3ghy h MET 209 Ca 0.00 -0.24 -0.36 0.00 -0.28 0.00 0.00 59.70 58.83 3ghy h MET 209 Cb 0.03 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 3ghy h MET 209 CO 0.00 0.80 -1.94 1.15 0.23 0.00 0.00 176.91 177.15 3ghy h THR 210 N 0.48 0.68 -0.80 -0.77 2.02 -1.84 -3.41 112.91 109.28 3ghy h THR 210 Ca 0.06 -2.40 0.05 0.00 0.77 0.00 0.00 66.41 64.89 3ghy h THR 210 Cb 0.76 2.53 -0.05 0.00 -1.74 0.00 0.00 68.15 69.65 3ghy h THR 210 CO 0.06 0.86 0.52 0.24 0.37 0.00 0.00 175.52 177.58 3ghy h MET 211 N 0.07 0.89 0.52 6.66 2.07 -1.84 -1.22 114.93 122.08 3ghy h MET 211 Ca -0.40 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.15 3ghy h MET 211 Cb 2.04 -0.20 0.01 0.00 -1.87 0.00 0.00 31.60 31.57 3ghy h MET 211 CO 0.10 0.59 -0.25 -0.91 1.07 0.00 0.00 176.91 177.51 3ghy h ASN 212 N 0.92 -0.59 0.24 1.22 2.35 -1.72 -2.55 115.58 115.44 3ghy h ASN 212 Ca 0.33 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.96 3ghy h ASN 212 Cb 0.15 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3ghy h ASN 212 CO -0.11 -0.20 -0.28 -0.65 -1.65 0.00 0.00 177.43 174.54 3ghy h PRO 213 N -1.06 0.08 -0.58 0.81 0.11 -1.76 -2.97 132.00 126.62 3ghy h PRO 213 Ca -0.07 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 3ghy h PRO 213 Cb 0.61 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 3ghy h PRO 213 CO 0.12 0.36 0.18 0.28 -0.21 0.00 0.00 178.00 178.73 3ghy h VAL 214 N 0.08 1.24 0.00 3.15 2.07 -1.31 -2.43 116.25 119.05 3ghy h VAL 214 Ca 0.01 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 3ghy h VAL 214 Cb 0.55 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3ghy h VAL 214 CO 0.04 0.31 -0.25 0.77 0.02 0.00 0.00 177.57 178.47 3ghy h SER 215 N 0.83 0.00 0.47 0.57 4.64 -1.30 -2.48 113.55 116.28 3ghy h SER 215 Ca 0.19 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.21 3ghy h SER 215 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 3ghy h SER 215 CO -0.00 0.25 -1.61 -0.37 -0.87 0.00 0.00 176.83 174.22 3ghy h VAL 216 N 0.00 1.02 -0.03 0.95 -1.51 -1.38 0.09 116.25 115.38 3ghy h VAL 216 Ca -0.00 -2.75 -0.08 0.00 -1.23 0.00 0.00 66.70 62.64 3ghy h VAL 216 Cb 0.54 2.61 -0.01 0.00 -2.13 0.00 0.00 31.29 32.30 3ghy h VAL 216 CO 0.03 0.73 -0.34 -0.07 -1.23 0.00 0.00 177.57 176.69 3ghy h LEU 217 N 0.04 0.06 0.00 4.19 3.38 -1.42 -3.34 115.31 118.21 3ghy h LEU 217 Ca -0.26 -0.02 -0.36 0.00 0.09 0.00 0.00 57.88 57.33 3ghy h LEU 217 Cb 1.99 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.67 3ghy h LEU 217 CO 0.12 0.39 -2.23 0.35 0.09 0.00 0.00 178.44 177.16 3ghy n THR 218 N -4.12 1.22 -0.24 0.22 -2.24 -0.94 -5.02 114.28 103.16 3ghy n THR 218 Ca -0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3ghy n THR 218 Cb 0.39 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 3ghy n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ghy n GLY 219 N 1.92 0.72 3.84 3.38 0.00 0.02 -5.07 105.19 110.00 3ghy n GLY 219 Ca -0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 3ghy n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghy s ALA 220 N -2.30 3.03 0.81 4.61 0.00 -1.24 -5.01 121.76 121.67 3ghy s ALA 220 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 3ghy s ALA 220 Cb 0.00 -3.13 0.08 0.00 0.00 0.00 0.00 23.12 20.07 3ghy s ALA 220 CO 0.00 -0.27 1.09 0.95 0.00 0.00 0.00 175.76 177.53 3ghy s THR 221 N -2.57 3.04 0.36 0.00 -4.23 -1.26 -4.74 115.64 106.24 3ghy s THR 221 Ca 0.60 0.34 0.30 0.00 -1.18 0.00 0.00 61.69 61.74 3ghy s THR 221 Cb -0.10 -3.01 0.32 0.00 1.34 0.00 0.00 72.50 71.04 3ghy s THR 221 CO 0.31 -0.44 2.06 0.00 -0.54 0.00 0.00 174.62 176.00 3ghy h ASP 223 N 0.00 0.61 0.32 0.00 3.58 -1.85 -3.21 116.42 115.87 3ghy h ASP 223 Ca -0.00 -0.58 -0.07 0.00 0.42 0.00 0.00 57.03 56.80 3ghy h ASP 223 Cb 0.38 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3ghy h ASP 223 CO 0.01 1.42 -0.32 0.03 -2.88 0.00 0.00 179.24 177.50 3ghy h ARG 224 N 0.18 0.01 -0.17 0.28 3.08 -1.80 -1.92 114.38 114.04 3ghy h ARG 224 Ca -0.14 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3ghy h ARG 224 Cb 1.87 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.91 3ghy h ARG 224 CO 0.21 0.33 -0.04 0.82 -1.07 0.00 0.00 179.97 180.22 3ghy h ILE 225 N 0.01 1.29 0.00 2.04 2.04 -1.58 -3.09 117.51 118.22 3ghy h ILE 225 Ca -0.00 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3ghy h ILE 225 Cb 0.58 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3ghy h ILE 225 CO 0.04 0.30 -0.18 0.18 0.00 0.00 0.00 178.15 178.49 3ghy n LEU 226 N -4.67 0.81 0.03 1.44 4.77 -1.14 -3.48 117.00 114.76 3ghy n LEU 226 Ca -0.05 0.48 -0.19 0.00 -0.03 0.00 0.00 56.01 56.22 3ghy n LEU 226 Cb 0.26 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 3ghy n LEU 226 CO 0.37 -0.15 0.15 0.44 -1.33 0.00 0.00 177.39 176.87 3ghy h ASP 227 N 0.00 0.62 -2.68 -1.43 3.32 -1.41 -3.44 116.42 111.40 3ghy h ASP 227 Ca 0.00 -0.80 -0.57 0.00 0.02 0.00 0.00 57.03 55.68 3ghy h ASP 227 Cb 0.75 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3ghy h ASP 227 CO 0.00 1.35 1.20 -0.62 -1.72 0.00 0.00 179.24 179.45 3ghy s ASP 228 N -6.96 6.17 0.30 6.45 -1.08 -1.17 -4.90 116.67 115.49 3ghy s ASP 228 Ca -0.12 1.58 0.25 0.00 -0.52 0.00 0.00 52.55 53.74 3ghy s ASP 228 Cb 0.04 -2.53 1.00 0.00 -1.46 0.00 0.00 42.92 39.97 3ghy s ASP 228 CO 0.85 -1.43 1.76 -0.65 0.52 0.00 0.00 175.17 176.21 3ghy h PRO 229 N 11.66 0.00 0.11 4.34 0.11 -1.86 -1.59 132.00 144.76 3ghy h PRO 229 Ca -0.35 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.40 3ghy h PRO 229 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3ghy h PRO 229 CO 1.01 0.00 -2.02 1.28 -0.21 0.00 0.00 178.00 178.06 3ghy n LEU 230 N -2.37 2.55 0.06 2.35 4.77 -1.26 -2.69 117.00 120.41 3ghy n LEU 230 Ca 0.02 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 3ghy n LEU 230 Cb 0.27 -1.02 0.08 0.00 -2.33 0.00 0.00 43.42 40.42 3ghy n LEU 230 CO 0.22 0.83 0.45 1.62 -1.33 0.00 0.00 177.39 179.19 3ghy h VAL 231 N 0.06 1.37 -0.57 4.08 3.04 -1.85 -2.76 116.25 119.63 3ghy h VAL 231 Ca -0.43 -1.98 0.08 0.00 -1.01 0.00 0.00 66.70 63.36 3ghy h VAL 231 Cb 2.03 1.98 -0.06 0.00 -2.01 0.00 0.00 31.29 33.22 3ghy h VAL 231 CO 0.08 0.59 0.23 0.28 -1.01 0.00 0.00 177.57 177.74 3ghy h SER 232 N 0.25 0.26 0.57 3.17 0.02 -1.40 -0.81 113.55 115.61 3ghy h SER 232 Ca -0.01 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3ghy h SER 232 Cb 1.15 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3ghy h SER 232 CO 0.10 0.17 -0.25 0.00 -1.14 0.00 0.00 176.83 175.71 3ghy h ALA 233 N 1.37 1.20 -0.23 3.77 0.00 -1.44 -1.80 119.26 122.13 3ghy h ALA 233 Ca 0.28 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 3ghy h ALA 233 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ghy h ALA 233 CO -0.26 0.31 -0.64 0.35 0.00 0.00 0.00 179.25 179.00 3ghy h PHE 234 N 0.00 1.08 0.11 0.00 -0.00 -1.06 -2.78 116.94 114.28 3ghy h PHE 234 Ca -0.00 -0.42 -0.01 0.00 -0.00 0.00 0.00 57.97 57.54 3ghy h PHE 234 Cb 0.60 -0.19 0.00 0.00 -0.00 0.00 0.00 35.95 36.36 3ghy h PHE 234 CO 0.00 1.25 -0.05 0.00 -0.00 0.00 0.00 178.31 179.51 3ghy h LEU 236 N -0.18 0.63 -0.16 0.00 3.38 -1.42 0.34 115.31 117.90 3ghy h LEU 236 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3ghy h LEU 236 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ghy h LEU 236 CO 0.02 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3ghy h ALA 237 N 1.62 0.21 -0.52 1.53 0.00 -1.28 -1.23 119.26 119.60 3ghy h ALA 237 Ca 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ghy h ALA 237 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3ghy h ALA 237 CO -0.10 -0.08 0.25 0.28 0.00 0.00 0.00 179.25 179.59 3ghy h VAL 238 N 0.03 1.20 -0.75 0.00 2.07 -0.75 -2.36 116.25 115.68 3ghy h VAL 238 Ca 0.05 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.03 3ghy h VAL 238 Cb 0.37 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3ghy h VAL 238 CO 0.01 0.22 0.49 0.24 0.02 0.00 0.00 177.57 178.55 3ghy h MET 239 N 0.69 0.92 -0.39 1.57 2.07 -0.94 -1.28 114.93 117.58 3ghy h MET 239 Ca 0.18 -0.06 -0.09 0.00 -2.07 0.00 0.00 59.70 57.66 3ghy h MET 239 Cb 0.12 -0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 29.63 3ghy h MET 239 CO -0.02 0.61 -0.13 0.00 1.07 0.00 0.00 176.91 178.44 3ghy h ALA 240 N 1.55 1.05 -0.45 6.32 0.00 -0.87 0.54 119.26 127.40 3ghy h ALA 240 Ca 0.29 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3ghy h ALA 240 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ghy h ALA 240 CO -0.08 0.58 -0.10 0.93 0.00 0.00 0.00 179.25 180.58 3ghy h GLU 241 N 0.63 0.86 -0.57 0.00 5.08 -0.95 -2.19 114.58 117.44 3ghy h GLU 241 Ca 0.11 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3ghy h GLU 241 Cb 0.59 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3ghy h GLU 241 CO 0.04 0.97 0.06 0.00 -1.00 0.00 0.00 179.01 179.08 3ghy h ALA 242 N 0.87 1.04 -0.20 3.43 0.00 -0.96 -1.93 119.26 121.52 3ghy h ALA 242 Ca 0.11 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3ghy h ALA 242 Cb 0.64 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ghy h ALA 242 CO 0.04 0.61 -0.47 -0.22 0.00 0.00 0.00 179.25 179.21 3ghy h LYS 243 N 0.87 0.51 -0.40 0.00 3.64 -0.88 0.07 116.57 120.38 3ghy h LYS 243 Ca 0.17 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 3ghy h LYS 243 Cb 0.42 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3ghy h LYS 243 CO 0.01 0.88 -0.26 0.00 -2.27 0.00 0.00 179.45 177.81 3ghy h ALA 244 N 1.08 0.77 -0.43 5.00 0.00 -1.24 -0.82 119.26 123.63 3ghy h ALA 244 Ca 0.02 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3ghy h ALA 244 Cb 0.98 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3ghy h ALA 244 CO 0.09 0.65 -0.22 0.82 0.00 0.00 0.00 179.25 180.59 3ghy h ILE 245 N 0.73 1.28 -0.31 0.00 2.04 -1.21 -3.26 117.51 116.77 3ghy h ILE 245 Ca 0.09 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 3ghy h ILE 245 Cb 0.81 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3ghy h ILE 245 CO 0.07 0.46 0.01 1.23 0.00 0.00 0.00 178.15 179.92 3ghy h GLY 246 N 0.73 0.59 2.00 5.37 0.00 -0.80 -2.87 103.07 108.08 3ghy h GLY 246 Ca 0.09 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3ghy h GLY 246 CO 0.07 0.40 -0.01 0.00 0.00 0.00 0.00 176.54 176.99 3ghy h ALA 247 N 0.85 1.05 0.00 3.60 0.00 -1.13 0.20 119.26 123.82 3ghy h ALA 247 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ghy h ALA 247 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ghy h ALA 247 CO 0.01 0.02 -0.85 0.54 0.00 0.00 0.00 179.25 178.97 3ghy n ARG 248 N -3.17 0.05 -0.27 0.00 1.74 -1.14 -4.21 116.66 109.67 3ghy n ARG 248 Ca -0.02 -0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.13 3ghy n ARG 248 Cb 0.17 -1.51 0.19 0.00 -1.02 0.00 0.00 32.46 30.28 3ghy n ARG 248 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3ghy n ILE 249 N -1.58 1.62 -0.05 0.55 -5.35 -0.92 -4.81 119.36 108.82 3ghy n ILE 249 Ca 0.04 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.05 3ghy n ILE 249 Cb 0.35 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 3ghy n ILE 249 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ghy n GLY 250 N -0.15 0.58 2.78 3.28 0.00 -1.16 -4.73 105.19 105.79 3ghy n GLY 250 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3ghy n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghy s PRO 252 N -1.72 4.62 -0.20 0.00 0.04 -1.25 -3.28 135.00 133.21 3ghy s PRO 252 Ca 0.29 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 3ghy s PRO 252 Cb 0.01 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 3ghy s PRO 252 CO -0.13 0.21 0.07 0.42 0.04 0.00 0.00 177.00 177.62 3ghy s ILE 253 N -1.20 4.76 -0.01 0.56 1.09 -1.26 -4.97 121.20 120.16 3ghy s ILE 253 Ca 0.45 -0.04 -0.20 0.00 -1.10 0.00 0.00 60.65 59.77 3ghy s ILE 253 Cb -0.31 -3.17 -0.32 0.00 -1.06 0.00 0.00 42.46 37.61 3ghy s ILE 253 CO 0.39 0.43 0.96 -0.08 -0.10 0.00 0.00 174.94 176.54 3ghy h GLU 254 N 7.06 0.41 -6.88 2.79 4.81 -2.02 -3.46 114.58 117.28 3ghy h GLU 254 Ca -0.37 -0.65 -0.52 0.00 -0.13 0.00 0.00 59.36 57.69 3ghy h GLU 254 Cb 1.17 0.23 0.06 0.00 0.63 0.00 0.00 28.75 30.84 3ghy h GLU 254 CO 0.67 1.30 0.60 -1.14 -0.73 0.00 0.00 179.01 179.71 3ghy s GLN 255 N -2.60 4.33 0.46 1.92 0.74 -1.26 -5.03 119.66 118.22 3ghy s GLN 255 Ca -0.12 2.11 -0.19 0.00 0.05 0.00 0.00 55.36 57.22 3ghy s GLN 255 Cb 0.02 -3.02 -0.10 0.00 1.10 0.00 0.00 33.01 31.02 3ghy s GLN 255 CO 0.87 -0.17 0.95 -1.54 -0.55 0.00 0.00 175.29 174.85 3ghy s SER 256 N -0.63 6.80 0.43 6.67 1.04 -1.26 -4.96 113.70 121.79 3ghy s SER 256 Ca 0.50 1.62 0.09 0.00 0.48 0.00 0.00 55.95 58.63 3ghy s SER 256 Cb -0.38 -2.52 0.93 0.00 0.10 0.00 0.00 66.02 64.16 3ghy s SER 256 CO 0.49 -0.44 2.08 1.23 0.98 0.00 0.00 173.24 177.58 3ghy h GLY 257 N 1.52 0.47 1.43 7.32 0.00 -1.95 -2.05 103.07 109.81 3ghy h GLY 257 Ca -0.48 -0.18 -0.20 0.00 0.00 0.00 0.00 47.33 46.47 3ghy h GLY 257 CO 0.61 0.17 -0.77 0.83 0.00 0.00 0.00 176.54 177.39 3ghy h GLU 258 N 0.46 0.55 -0.27 4.80 3.07 -1.97 -2.14 114.58 119.09 3ghy h GLU 258 Ca 0.12 -0.46 -0.15 0.00 -0.50 0.00 0.00 59.36 58.37 3ghy h GLU 258 Cb -0.05 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3ghy h GLU 258 CO -0.03 1.09 -0.43 0.00 -1.40 0.00 0.00 179.01 178.24 3ghy h ALA 259 N 0.77 0.73 -0.30 3.43 0.00 -1.87 -2.65 119.26 119.37 3ghy h ALA 259 Ca -0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 3ghy h ALA 259 Cb 1.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3ghy h ALA 259 CO 0.14 0.66 -0.27 -0.09 0.00 0.00 0.00 179.25 179.70 3ghy h ARG 260 N 0.55 0.60 0.00 0.00 9.65 -1.40 -2.89 114.38 120.90 3ghy h ARG 260 Ca 0.04 -0.25 -0.05 0.00 -1.10 0.00 0.00 59.98 58.62 3ghy h ARG 260 Cb 0.97 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 3ghy h ARG 260 CO 0.09 0.82 -0.25 0.77 2.80 0.00 0.00 179.97 184.19 3ghy h SER 261 N 0.53 0.00 0.32 -3.80 0.02 -1.29 -2.70 113.55 106.63 3ghy h SER 261 Ca 0.07 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 3ghy h SER 261 Cb 0.74 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 3ghy h SER 261 CO 0.06 0.25 -0.50 0.00 -1.14 0.00 0.00 176.83 175.50 3ghy h ALA 262 N 1.75 1.02 -0.20 3.77 0.00 -1.25 -2.88 119.26 121.47 3ghy h ALA 262 Ca -0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 3ghy h ALA 262 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ghy h ALA 262 CO 0.03 0.65 -0.59 0.28 0.00 0.00 0.00 179.25 179.62 3ghy h VAL 263 N 0.17 1.31 -0.11 0.00 2.07 -1.45 -3.20 116.25 115.05 3ghy h VAL 263 Ca 0.01 -1.84 -0.17 0.00 0.82 0.00 0.00 66.70 65.52 3ghy h VAL 263 Cb 0.94 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 3ghy h VAL 263 CO 0.08 0.58 -0.65 0.74 0.02 0.00 0.00 177.57 178.33 3ghy h THR 264 N 0.48 1.36 0.00 2.57 2.02 -1.46 -3.12 112.91 114.77 3ghy h THR 264 Ca -0.00 -2.00 -0.05 0.00 0.77 0.00 0.00 66.41 65.13 3ghy h THR 264 Cb 1.17 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 3ghy h THR 264 CO 0.12 0.61 -0.22 0.08 0.37 0.00 0.00 175.52 176.47 3ghy h ARG 265 N 0.31 0.00 -0.00 6.66 0.11 -1.59 -3.10 114.38 116.76 3ghy h ARG 265 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3ghy h ARG 265 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3ghy h ARG 265 CO 0.11 0.22 -0.04 1.04 0.10 0.00 0.00 179.97 181.40 3ghy n GLN 266 N -3.22 0.71 0.22 0.08 6.02 -1.18 -3.08 117.38 116.93 3ghy n GLN 266 Ca 0.02 -0.14 0.11 0.00 -0.01 0.00 0.00 57.00 56.98 3ghy n GLN 266 Cb 0.54 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.72 3ghy n GLN 266 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3ghy h LEU 267 N 0.33 0.00 0.00 1.08 3.38 -1.57 -3.50 115.31 115.04 3ghy h LEU 267 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ghy h LEU 267 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3ghy h LEU 267 CO 0.00 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.33 3ghy n GLY 268 N 0.35 0.18 2.72 0.83 0.00 -1.18 -4.77 105.19 103.31 3ghy n GLY 268 Ca 0.01 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 3ghy n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghy n ALA 269 N -0.88 5.92 -2.44 4.61 0.00 -1.26 -3.62 120.51 122.84 3ghy n ALA 269 Ca 0.00 -4.61 -0.30 0.00 0.00 0.00 0.00 53.44 48.54 3ghy n ALA 269 Cb 0.00 -2.29 -0.12 0.00 0.00 0.00 0.00 19.45 17.03 3ghy n ALA 269 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3ghy s PHE 270 N -3.62 2.45 1.08 0.00 2.19 -1.26 -4.80 117.98 114.01 3ghy s PHE 270 Ca 0.38 -0.31 -0.17 0.00 0.33 0.00 0.00 56.93 57.15 3ghy s PHE 270 Cb 0.16 -1.34 0.24 0.00 -1.31 0.00 0.00 43.02 40.77 3ghy s PHE 270 CO -0.07 0.32 1.21 0.15 1.83 0.00 0.00 175.22 178.66 3ghy s LYS 271 N -1.90 -0.27 0.58 10.12 1.02 -1.26 -2.97 119.74 125.06 3ghy s LYS 271 Ca 0.15 -0.21 0.09 0.00 0.02 0.00 0.00 55.97 56.03 3ghy s LYS 271 Cb -0.10 -1.72 0.09 0.00 -0.52 0.00 0.00 37.83 35.58 3ghy s LYS 271 CO 0.07 -3.05 0.80 0.95 -0.92 0.00 0.00 175.35 173.20 3ghy s THR 272 N -3.42 2.13 0.11 2.17 -4.23 -1.26 -4.93 115.64 106.20 3ghy s THR 272 Ca 0.72 -0.98 0.19 0.00 -1.18 0.00 0.00 61.69 60.43 3ghy s THR 272 Cb -0.07 -2.15 0.13 0.00 1.34 0.00 0.00 72.50 71.76 3ghy s THR 272 CO 0.54 0.00 1.69 0.77 -0.54 0.00 0.00 174.62 177.09 3ghy h SER 273 N 0.14 0.00 -0.39 3.99 4.64 -1.96 -0.54 113.55 119.43 3ghy h SER 273 Ca -0.30 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.88 3ghy h SER 273 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3ghy h SER 273 CO 0.41 0.38 -0.31 0.24 -0.87 0.00 0.00 176.83 176.67 3ghy h MET 274 N 0.00 0.92 0.20 4.77 2.86 -1.95 -3.26 114.93 118.47 3ghy h MET 274 Ca -0.00 -0.44 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 3ghy h MET 274 Cb 0.96 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.62 3ghy h MET 274 CO 0.05 1.10 -0.10 -0.07 1.06 0.00 0.00 176.91 178.95 3ghy h LEU 275 N 0.77 -0.23 -7.46 1.22 3.38 -1.84 -3.49 115.31 107.67 3ghy h LEU 275 Ca 0.08 -0.30 -0.60 0.00 0.09 0.00 0.00 57.88 57.14 3ghy h LEU 275 Cb 0.89 0.06 -0.39 0.00 0.09 0.00 0.00 40.66 41.31 3ghy h LEU 275 CO 0.08 0.28 -0.76 -1.10 0.09 0.00 0.00 178.44 177.03 3ghy s GLN 276 N -3.71 1.22 0.00 1.13 -0.21 -0.22 -5.02 119.66 112.86 3ghy s GLN 276 Ca -0.13 -1.15 0.00 0.00 0.02 0.00 0.00 55.36 54.10 3ghy s GLN 276 Cb 0.01 -2.48 0.00 0.00 1.00 0.00 0.00 33.01 31.54 3ghy s GLN 276 CO 0.49 -0.80 0.00 0.54 -2.12 0.00 0.00 175.29 173.40 3ghy n ARG 282 N 4.67 0.00 0.00 2.91 1.74 -1.26 -4.73 116.66 119.99 3ghy n ARG 282 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3ghy n ARG 282 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 3ghy n ARG 282 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ghy n GLY 283 N 0.00 -0.01 3.70 -0.13 0.00 -1.26 -4.96 105.19 102.53 3ghy n GLY 283 Ca 0.00 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 3ghy n GLY 283 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ghy n PRO 284 N 0.81 2.68 -2.40 1.61 -0.04 -1.26 -4.71 135.00 131.69 3ghy n PRO 284 Ca 0.00 0.97 -0.37 0.00 -0.04 0.00 0.00 63.50 64.06 3ghy n PRO 284 Cb 0.00 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 30.60 3ghy n PRO 284 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ghy s LEU 285 N 1.88 4.11 -0.06 1.53 1.43 0.60 -4.92 118.68 123.24 3ghy s LEU 285 Ca 0.79 2.19 -0.01 0.00 -1.03 0.00 0.00 54.13 56.06 3ghy s LEU 285 Cb -0.52 -4.17 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 3ghy s LEU 285 CO 0.36 -0.67 2.30 1.21 0.23 0.00 0.00 176.35 179.77 3ghy n GLU 286 N -0.19 1.33 -0.21 1.70 2.13 -1.26 -4.49 120.64 119.65 3ghy n GLU 286 Ca 0.06 -0.47 -0.08 0.00 0.66 0.00 0.00 57.16 57.32 3ghy n GLU 286 Cb 0.48 -1.29 0.03 0.00 0.27 0.00 0.00 31.44 30.93 3ghy n GLU 286 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3ghy h ILE 287 N 1.20 1.25 0.41 6.31 2.04 -1.93 -2.12 117.51 124.67 3ghy h ILE 287 Ca 0.09 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3ghy h ILE 287 Cb 1.06 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3ghy h ILE 287 CO 0.18 0.34 -0.26 0.44 0.00 0.00 0.00 178.15 178.85 3ghy h ASP 288 N 0.87 -0.64 -0.44 1.72 3.32 -1.88 0.25 116.42 119.61 3ghy h ASP 288 Ca 0.19 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 3ghy h ASP 288 Cb 0.34 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3ghy h ASP 288 CO 0.00 -0.41 0.04 0.00 -1.72 0.00 0.00 179.24 177.15 3ghy h ALA 289 N -0.09 1.11 0.12 3.45 0.00 -1.78 -1.22 119.26 120.85 3ghy h ALA 289 Ca -0.05 -0.25 -0.32 0.00 0.00 0.00 0.00 54.91 54.29 3ghy h ALA 289 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ghy h ALA 289 CO 0.04 0.57 -1.66 -0.07 0.00 0.00 0.00 179.25 178.14 3ghy h LEU 290 N 0.78 0.41 0.00 0.00 3.38 -1.33 -2.48 115.31 116.06 3ghy h LEU 290 Ca 0.16 -0.64 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 3ghy h LEU 290 Cb 0.42 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ghy h LEU 290 CO 0.01 1.54 -1.10 0.52 0.09 0.00 0.00 178.44 179.50 3ghy n VAL 291 N -3.45 0.60 -0.02 1.22 0.31 0.84 -4.61 118.33 113.22 3ghy n VAL 291 Ca -0.20 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3ghy n VAL 291 Cb 1.05 -1.64 0.30 0.00 -0.91 0.00 0.00 33.84 32.65 3ghy n VAL 291 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ghy h ALA 292 N -0.24 1.40 -0.40 3.52 0.00 -1.12 -2.57 119.26 119.84 3ghy h ALA 292 Ca -0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3ghy h ALA 292 Cb 0.93 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ghy h ALA 292 CO -0.08 0.43 0.19 0.66 0.00 0.00 0.00 179.25 180.45 3ghy h SER 293 N 0.55 0.53 -0.46 0.00 4.64 -1.46 -1.04 113.55 116.31 3ghy h SER 293 Ca 0.12 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3ghy h SER 293 Cb 0.27 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3ghy h SER 293 CO 0.00 0.51 -0.03 0.58 -0.87 0.00 0.00 176.83 177.03 3ghy h VAL 294 N 0.50 1.25 -0.66 0.95 2.07 -1.75 0.05 116.25 118.67 3ghy h VAL 294 Ca 0.14 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 3ghy h VAL 294 Cb 0.13 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3ghy h VAL 294 CO -0.02 0.39 0.29 -0.09 0.02 0.00 0.00 177.57 178.16 3ghy h ARG 295 N 0.81 0.97 -0.49 1.57 2.43 -1.36 -0.95 114.38 117.37 3ghy h ARG 295 Ca 0.15 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3ghy h ARG 295 Cb 0.52 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3ghy h ARG 295 CO 0.03 0.80 0.17 1.49 -1.51 0.00 0.00 179.97 180.95 3ghy h GLU 296 N 0.92 0.75 -0.36 0.20 4.81 -0.73 -1.90 114.58 118.28 3ghy h GLU 296 Ca 0.22 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3ghy h GLU 296 Cb 0.17 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3ghy h GLU 296 CO -0.02 0.69 -0.13 0.82 -0.73 0.00 0.00 179.01 179.64 3ghy h ILE 297 N 0.66 1.25 -0.86 2.32 2.04 -0.87 -2.43 117.51 119.62 3ghy h ILE 297 Ca 0.16 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 3ghy h ILE 297 Cb 0.24 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 3ghy h ILE 297 CO -0.01 0.37 0.43 1.23 0.00 0.00 0.00 178.15 180.18 3ghy h GLY 298 N 0.97 1.32 1.47 5.37 0.00 -0.96 0.01 103.07 111.25 3ghy h GLY 298 Ca 0.10 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 3ghy h GLY 298 CO 0.04 0.61 -0.19 -2.00 0.00 0.00 0.00 176.54 175.00 3ghy h LEU 299 N 1.23 0.62 -0.25 3.11 5.85 -1.05 -0.63 115.31 124.17 3ghy h LEU 299 Ca 0.30 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 3ghy h LEU 299 Cb 0.09 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3ghy h LEU 299 CO -0.04 0.81 -0.36 0.45 -0.34 0.00 0.00 178.44 178.96 3ghy h HIS 300 N 0.55 0.84 -0.06 1.25 3.86 -1.24 -3.34 115.15 117.02 3ghy h HIS 300 Ca 0.09 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 3ghy h HIS 300 Cb 0.63 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.93 3ghy h HIS 300 CO 0.03 1.04 0.00 1.55 0.86 0.00 0.00 177.93 181.40 3ghy n VAL 301 N -4.23 0.06 0.00 2.45 3.14 -0.03 -4.94 118.33 114.78 3ghy n VAL 301 Ca -0.05 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 3ghy n VAL 301 Cb 0.51 0.57 0.00 0.00 -1.06 0.00 0.00 33.84 33.86 3ghy n VAL 301 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ghy n GLY 302 N 1.19 1.51 3.67 7.55 0.00 -0.30 -5.03 105.19 113.78 3ghy n GLY 302 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3ghy n GLY 302 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghy s VAL 303 N -2.37 4.45 0.45 1.61 1.01 -0.87 -4.99 120.40 119.69 3ghy s VAL 303 Ca 0.00 1.76 -0.23 0.00 0.00 0.00 0.00 61.98 63.50 3ghy s VAL 303 Cb 0.00 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 3ghy s VAL 303 CO 0.00 -0.08 1.19 -2.84 0.00 0.00 0.00 175.10 173.37 3ghy s PRO 304 N 2.80 3.79 -0.38 2.72 0.02 -1.26 -4.26 135.00 138.42 3ghy s PRO 304 Ca 0.51 1.85 0.12 0.00 0.02 0.00 0.00 61.00 63.50 3ghy s PRO 304 Cb -0.20 -2.47 0.42 0.00 0.02 0.00 0.00 34.50 32.27 3ghy s PRO 304 CO 0.15 -0.55 0.98 0.25 -0.33 0.00 0.00 177.00 177.50 3ghy n THR 305 N -0.37 1.46 0.21 0.99 -2.24 -1.26 -4.92 114.28 108.14 3ghy n THR 305 Ca 0.07 -4.04 0.04 0.00 -2.27 0.00 0.00 64.05 57.85 3ghy n THR 305 Cb 0.47 -0.23 0.44 0.00 -2.10 0.00 0.00 70.33 68.91 3ghy n THR 305 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3ghy h PRO 306 N 2.86 0.00 -0.24 -0.78 0.13 -1.99 0.98 132.00 132.97 3ghy h PRO 306 Ca 0.07 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.12 3ghy h PRO 306 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 3ghy h PRO 306 CO 0.64 0.28 -0.17 1.96 -0.23 0.00 0.00 178.00 180.48 3ghy h GLN 307 N 0.00 0.54 -0.58 0.86 1.08 -1.93 -2.34 115.11 112.73 3ghy h GLN 307 Ca -0.00 -0.26 -0.08 0.00 -1.45 0.00 0.00 58.65 56.86 3ghy h GLN 307 Cb 0.51 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 3ghy h GLN 307 CO 0.04 0.83 0.05 0.82 -0.95 0.00 0.00 178.83 179.62 3ghy h ILE 308 N 0.25 1.25 -0.51 2.54 2.04 -1.84 -2.41 117.51 118.83 3ghy h ILE 308 Ca 0.05 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.91 3ghy h ILE 308 Cb 0.69 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3ghy h ILE 308 CO 0.05 0.38 0.28 0.44 0.00 0.00 0.00 178.15 179.30 3ghy h ASP 309 N 0.90 0.44 -0.23 1.72 3.45 -0.78 0.11 116.42 122.03 3ghy h ASP 309 Ca 0.18 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 3ghy h ASP 309 Cb 0.46 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 3ghy h ASP 309 CO 0.02 0.31 0.11 0.74 -1.57 0.00 0.00 179.24 178.85 3ghy h THR 310 N 0.56 1.14 -0.53 0.35 2.02 -1.39 -1.36 112.91 113.70 3ghy h THR 310 Ca 0.21 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3ghy h THR 310 Cb 0.06 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3ghy h THR 310 CO -0.12 0.14 0.35 0.25 0.37 0.00 0.00 175.52 176.52 3ghy h LEU 311 N 0.24 0.62 -0.22 2.58 5.85 -1.10 -2.43 115.31 120.86 3ghy h LEU 311 Ca 0.08 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3ghy h LEU 311 Cb 0.13 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3ghy h LEU 311 CO -0.01 0.45 0.05 0.25 -0.34 0.00 0.00 178.44 178.84 3ghy h LEU 312 N 0.72 0.33 -0.56 2.25 5.85 -0.72 -2.50 115.31 120.69 3ghy h LEU 312 Ca 0.20 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3ghy h LEU 312 Cb -0.08 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3ghy h LEU 312 CO -0.04 0.49 0.27 1.23 -0.34 0.00 0.00 178.44 180.05 3ghy h GLY 313 N 0.17 0.86 1.08 3.75 0.00 -1.17 -1.24 103.07 106.51 3ghy h GLY 313 Ca 0.07 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 3ghy h GLY 313 CO 0.00 0.40 -0.39 1.41 0.00 0.00 0.00 176.54 177.96 3ghy h LEU 314 N 0.75 0.91 -0.16 3.11 4.07 -1.46 -2.65 115.31 119.89 3ghy h LEU 314 Ca 0.19 -0.49 -0.17 0.00 0.08 0.00 0.00 57.88 57.49 3ghy h LEU 314 Cb 0.11 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 3ghy h LEU 314 CO -0.03 1.22 -0.82 1.62 -1.08 0.00 0.00 178.44 179.35 3ghy h VAL 315 N 0.63 1.48 -0.12 1.22 3.04 -1.39 -1.80 116.25 119.32 3ghy h VAL 315 Ca 0.04 -2.93 -0.16 0.00 -1.01 0.00 0.00 66.70 62.65 3ghy h VAL 315 Cb 0.99 2.63 -0.01 0.00 -2.01 0.00 0.00 31.29 32.88 3ghy h VAL 315 CO 0.09 0.81 -0.60 0.08 -1.01 0.00 0.00 177.57 176.94 3ghy h ARG 316 N 0.00 0.41 -0.05 4.17 0.11 -1.23 -2.21 114.38 115.58 3ghy h ARG 316 Ca -0.01 -0.28 -0.19 0.00 0.10 0.00 0.00 59.98 59.60 3ghy h ARG 316 Cb 1.56 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.68 3ghy h ARG 316 CO 0.11 0.89 -0.78 -0.07 0.10 0.00 0.00 179.97 180.22 3ghy h LEU 317 N 0.31 0.47 -0.94 0.08 3.38 -1.48 0.15 115.31 117.28 3ghy h LEU 317 Ca -0.01 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3ghy h LEU 317 Cb 1.14 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3ghy h LEU 317 CO 0.10 1.08 0.56 -0.74 0.09 0.00 0.00 178.44 179.53 3ghy h HIS 318 N 0.25 1.24 0.00 1.13 2.76 -1.30 -2.11 115.15 117.12 3ghy h HIS 318 Ca -0.04 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.01 3ghy h HIS 318 Cb 1.37 -0.41 -0.02 0.00 1.55 0.00 0.00 27.41 29.91 3ghy h HIS 318 CO 0.05 0.83 -0.86 0.00 -1.30 0.00 0.00 177.93 176.65 3ghy h ALA 319 N 1.31 0.67 -0.02 5.26 0.00 -1.33 -3.28 119.26 121.86 3ghy h ALA 319 Ca 0.33 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3ghy h ALA 319 Cb -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ghy h ALA 319 CO -0.06 0.63 -0.61 0.37 0.00 0.00 0.00 179.25 179.58 3ghy h GLN 320 N 0.00 0.09 -0.69 0.00 4.15 -0.58 -2.12 115.11 115.96 3ghy h GLN 320 Ca -0.06 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 3ghy h GLN 320 Cb 1.39 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.06 3ghy h GLN 320 CO 0.05 0.67 0.22 1.15 -1.93 0.00 0.00 178.83 178.99 3ghy h THR 321 N 0.06 1.25 -2.34 2.39 2.02 -1.46 -3.44 112.91 111.40 3ghy h THR 321 Ca -0.01 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3ghy h THR 321 Cb 1.09 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3ghy h THR 321 CO 0.08 0.34 0.00 0.54 0.37 0.00 0.00 175.52 176.85 3ghy n ARG 322 N -4.32 0.67 -1.88 6.66 1.74 -1.16 -4.99 116.66 113.39 3ghy n ARG 322 Ca 0.05 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 3ghy n ARG 322 Cb 0.22 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.70 3ghy n ARG 322 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ghy n GLY 323 N 5.00 5.59 0.00 -0.13 0.00 -1.26 -4.58 105.19 109.81 3ghy n GLY 323 Ca 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 46.02 43.55 3ghy n GLY 323 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ghy n LEU 324 N -0.58 1.55 0.00 0.99 4.77 -0.81 -4.52 117.00 118.39 3ghy n LEU 324 Ca 0.54 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 3ghy n LEU 324 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3ghy n LEU 324 CO 0.54 0.39 0.00 0.00 -1.33 0.00 0.00 177.39 176.98