#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iey s GLY 3 N 0.00 1.48 -0.13 7.39 0.00 0.06 -4.45 107.32 111.66 3iey s GLY 3 Ca 0.00 -1.45 -0.00 0.00 0.00 0.00 0.00 44.72 43.27 3iey s GLY 3 CO 0.00 -1.46 -0.11 -0.19 0.00 0.00 0.00 173.10 171.34 3iey s TYR 4 N -1.41 1.85 -0.24 1.90 2.02 0.06 -3.33 117.35 118.19 3iey s TYR 4 Ca 0.14 -1.00 -0.29 0.00 -0.37 0.00 0.00 57.07 55.54 3iey s TYR 4 Cb -0.09 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 3iey s TYR 4 CO 0.07 -0.60 1.18 -1.17 -1.57 0.00 0.00 175.55 173.46 3iey s LEU 5 N 1.59 4.05 -0.31 -1.29 2.96 -1.19 -1.20 118.68 123.29 3iey s LEU 5 Ca 0.05 1.40 -0.01 0.00 -0.22 0.00 0.00 54.13 55.34 3iey s LEU 5 Cb -0.13 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.13 3iey s LEU 5 CO -0.09 -0.83 0.12 -0.36 -1.32 0.00 0.00 176.35 173.87 3iey s PHE 6 N 3.64 1.31 0.00 5.38 0.08 -0.20 -4.81 117.98 123.38 3iey s PHE 6 Ca 0.51 -1.54 0.00 0.00 0.12 0.00 0.00 56.93 56.02 3iey s PHE 6 Cb -0.17 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 3iey s PHE 6 CO 0.14 -0.86 0.00 0.41 -0.10 0.00 0.00 175.22 174.81 3iey n GLY 7 N 4.86 3.66 2.02 4.36 0.00 -1.26 -2.28 105.19 116.55 3iey n GLY 7 Ca -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 3iey n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iey n ASN 8 N 8.09 4.81 -4.11 1.61 6.94 -1.26 -4.92 115.26 126.41 3iey n ASN 8 Ca 0.00 -3.25 -0.15 0.00 -0.02 0.00 0.00 54.58 51.16 3iey n ASN 8 Cb 0.00 -0.75 -0.12 0.00 -2.36 0.00 0.00 39.78 36.55 3iey n ASN 8 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3iey s ARG 9 N -3.02 0.66 -0.21 -3.83 1.81 -0.97 -4.08 118.95 109.32 3iey s ARG 9 Ca 0.55 -0.87 -0.02 0.00 -1.72 0.00 0.00 55.73 53.67 3iey s ARG 9 Cb 0.44 -0.50 -0.00 0.00 -0.45 0.00 0.00 34.95 34.44 3iey s ARG 9 CO 0.13 0.10 -0.09 0.08 -0.68 0.00 0.00 175.30 174.85 3iey s VAL 10 N -1.46 3.02 -0.16 3.52 1.01 0.44 -1.03 120.40 125.74 3iey s VAL 10 Ca -0.06 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 3iey s VAL 10 Cb -0.09 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3iey s VAL 10 CO 0.01 0.46 0.45 -0.22 0.00 0.00 0.00 175.10 175.79 3iey s LEU 11 N 1.38 4.22 0.06 3.92 0.20 -0.34 -0.39 118.68 127.73 3iey s LEU 11 Ca 0.05 0.69 -0.01 0.00 0.69 0.00 0.00 54.13 55.54 3iey s LEU 11 Cb -0.14 -2.62 -0.00 0.00 -0.43 0.00 0.00 46.19 43.00 3iey s LEU 11 CO -0.05 -0.04 -0.02 0.55 -0.29 0.00 0.00 176.35 176.50 3iey n VAL 12 N 3.97 1.03 -0.04 1.68 3.14 -1.26 -0.76 118.33 126.08 3iey n VAL 12 Ca -0.07 0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.62 3iey n VAL 12 Cb 0.51 -1.62 0.00 0.00 -1.06 0.00 0.00 33.84 31.68 3iey n VAL 12 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3iey n ASP 13 N -3.47 0.00 -4.43 6.55 4.64 -1.26 -4.86 116.55 113.72 3iey n ASP 13 Ca -0.01 0.00 -0.29 0.00 -1.38 0.00 0.00 54.79 53.11 3iey n ASP 13 Cb 0.13 0.00 -0.12 0.00 -1.04 0.00 0.00 41.12 40.09 3iey n ASP 13 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3iey s GLU 16 N 0.00 1.55 -0.06 -0.67 1.03 -1.26 -5.24 118.70 114.04 3iey s GLU 16 Ca 0.00 -1.33 0.02 0.00 0.03 0.00 0.00 54.97 53.69 3iey s GLU 16 Cb 0.00 -1.96 -0.03 0.00 -0.80 0.00 0.00 34.13 31.34 3iey s GLU 16 CO 0.00 0.45 -0.09 -0.51 -1.33 0.00 0.00 175.26 173.78 3iey s LEU 17 N -2.22 3.05 0.71 1.83 1.02 0.47 -4.93 118.68 118.62 3iey s LEU 17 Ca 0.17 -0.07 -0.15 0.00 0.02 0.00 0.00 54.13 54.10 3iey s LEU 17 Cb -0.10 -1.65 0.03 0.00 0.02 0.00 0.00 46.19 44.49 3iey s LEU 17 CO 0.08 0.36 1.17 -2.16 0.02 0.00 0.00 176.35 175.82 3iey s PRO 18 N -0.78 2.32 0.47 1.29 0.04 -1.26 -0.42 135.00 136.66 3iey s PRO 18 Ca 0.12 1.63 0.13 0.00 0.04 0.00 0.00 61.00 62.92 3iey s PRO 18 Cb -0.11 -1.87 1.10 0.00 0.04 0.00 0.00 34.50 33.66 3iey s PRO 18 CO 0.01 -1.66 2.09 -0.07 0.04 0.00 0.00 177.00 177.41 3iey h LEU 19 N -0.23 0.22 -0.71 -3.56 3.38 -1.94 -1.93 115.31 110.53 3iey h LEU 19 Ca -0.47 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 3iey h LEU 19 Cb 1.28 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3iey h LEU 19 CO 0.51 0.15 -0.37 -0.29 0.09 0.00 0.00 178.44 178.54 3iey h ILE 20 N 0.25 1.29 0.02 1.22 2.10 -1.95 -0.69 117.51 119.76 3iey h ILE 20 Ca 0.10 -1.51 -0.21 0.00 1.08 0.00 0.00 64.86 64.33 3iey h ILE 20 Cb 0.09 1.49 -0.02 0.00 -1.09 0.00 0.00 36.82 37.29 3iey h ILE 20 CO -0.02 0.48 -0.96 -0.08 -1.08 0.00 0.00 178.15 176.49 3iey h GLU 21 N 0.48 0.10 -0.07 2.19 4.81 -1.75 -2.62 114.58 117.72 3iey h GLU 21 Ca 0.05 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 3iey h GLU 21 Cb 0.86 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3iey h GLU 21 CO 0.07 0.98 -0.65 0.00 -0.73 0.00 0.00 179.01 178.68 3iey h ALA 22 N 0.97 0.76 -0.35 2.92 0.00 -1.31 -3.05 119.26 119.18 3iey h ALA 22 Ca -0.04 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 3iey h ALA 22 Cb 1.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3iey h ALA 22 CO 0.14 0.75 -0.24 -0.92 0.00 0.00 0.00 179.25 178.98 3iey h TYR 23 N 0.20 0.92 -0.40 0.00 5.03 -1.11 -2.30 116.97 119.31 3iey h TYR 23 Ca -0.01 -0.25 0.08 0.00 2.58 0.00 0.00 58.73 61.12 3iey h TYR 23 Cb 1.19 -0.20 -0.07 0.00 1.55 0.00 0.00 36.73 39.19 3iey h TYR 23 CO 0.03 1.01 -0.03 -0.92 -1.32 0.00 0.00 178.16 176.92 3iey h TYR 24 N 0.57 -0.09 -0.11 -3.82 3.20 -1.48 0.01 116.97 115.25 3iey h TYR 24 Ca 0.07 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.80 3iey h TYR 24 Cb 0.80 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3iey h TYR 24 CO 0.06 -0.11 -0.64 -0.07 -1.64 0.00 0.00 178.16 175.76 3iey h LEU 25 N 0.07 0.47 -0.60 2.82 3.38 -1.52 -0.56 115.31 119.37 3iey h LEU 25 Ca 0.20 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3iey h LEU 25 Cb 0.29 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3iey h LEU 25 CO -0.36 0.99 0.22 0.25 0.09 0.00 0.00 178.44 179.64 3iey h LEU 26 N 0.30 0.84 -1.01 1.67 5.85 -1.21 0.60 115.31 122.35 3iey h LEU 26 Ca -0.01 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 3iey h LEU 26 Cb 1.19 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3iey h LEU 26 CO 0.11 0.80 -0.49 -0.78 -0.34 0.00 0.00 178.44 177.74 3iey h ASP 27 N 0.83 0.00 0.88 1.25 -0.00 -0.82 -3.08 116.42 115.49 3iey h ASP 27 Ca 0.20 -0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 57.00 3iey h ASP 27 Cb 0.23 -0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.53 3iey h ASP 27 CO -0.01 0.49 -1.18 0.50 -0.00 0.00 0.00 179.24 179.05 3iey h LYS 28 N 0.00 0.00 0.00 0.28 3.64 -0.93 -3.49 116.57 116.08 3iey h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3iey h LYS 28 Cb 0.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3iey h LYS 28 CO 0.06 0.79 0.00 0.41 -2.27 0.00 0.00 179.45 178.44 3iey n GLY 29 N 1.40 1.02 1.78 5.01 0.00 0.10 -5.01 105.19 109.49 3iey n GLY 29 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3iey n GLY 29 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3iey n GLU 30 N -0.74 2.69 -3.68 1.61 0.00 -0.59 -4.94 120.64 114.99 3iey n GLU 30 Ca 0.00 -3.07 -0.12 0.00 0.00 0.00 0.00 57.16 53.97 3iey n GLU 30 Cb 0.00 -2.07 -0.09 0.00 0.00 0.00 0.00 31.44 29.28 3iey n GLU 30 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3iey s LEU 31 N -3.15 -0.23 -0.06 -1.84 0.20 -1.20 -4.90 118.68 107.51 3iey s LEU 31 Ca 0.52 1.12 0.05 0.00 0.69 0.00 0.00 54.13 56.52 3iey s LEU 31 Cb 0.44 1.84 -0.01 0.00 -0.43 0.00 0.00 46.19 48.03 3iey s LEU 31 CO 0.09 -0.20 -0.22 -1.61 -0.29 0.00 0.00 176.35 174.12 3iey s GLU 32 N 0.75 2.58 0.46 1.98 2.02 -1.26 -4.30 118.70 120.92 3iey s GLU 32 Ca -0.04 -0.86 0.07 0.00 0.02 0.00 0.00 54.97 54.17 3iey s GLU 32 Cb -0.05 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.95 3iey s GLU 32 CO -0.06 0.42 0.37 0.08 0.02 0.00 0.00 175.26 176.10 3iey s VAL 33 N -0.25 2.32 -0.29 2.63 1.01 -1.26 -0.77 120.40 123.79 3iey s VAL 33 Ca -0.01 -1.42 -0.16 0.00 0.00 0.00 0.00 61.98 60.39 3iey s VAL 33 Cb -0.13 -2.74 0.16 0.00 0.00 0.00 0.00 36.38 33.68 3iey s VAL 33 CO 0.03 0.00 1.05 -0.31 0.00 0.00 0.00 175.10 175.86 3iey s TYR 34 N -2.58 -0.48 -0.05 5.22 1.51 -1.21 -4.95 117.35 114.81 3iey s TYR 34 Ca 0.44 0.92 -0.19 0.00 -1.01 0.00 0.00 57.07 57.23 3iey s TYR 34 Cb -0.02 0.29 -0.14 0.00 -0.11 0.00 0.00 41.96 41.98 3iey s TYR 34 CO 0.26 -0.24 0.78 1.49 -1.11 0.00 0.00 175.55 176.73 3iey h GLU 35 N 6.30 -0.26 0.00 -0.62 4.57 -1.92 -3.14 114.58 119.50 3iey h GLU 35 Ca -0.24 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3iey h GLU 35 Cb 1.16 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3iey h GLU 35 CO 0.17 0.10 0.00 -0.25 -1.18 0.00 0.00 179.01 177.85 3iey n ASP 36 N -4.96 0.00 0.00 1.04 9.92 -1.26 -4.80 116.55 116.49 3iey n ASP 36 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 3iey n ASP 36 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 3iey n ASP 36 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3iey n ASP 37 N -2.39 0.00 0.00 -2.24 10.43 -1.26 -5.16 116.55 115.94 3iey n ASP 37 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3iey n ASP 37 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3iey n ASP 37 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 3iey n LYS 42 N 11.78 0.00 0.26 -1.24 4.81 -1.26 -5.22 118.16 127.28 3iey n LYS 42 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 3iey n LYS 42 Cb 0.00 0.00 0.67 0.00 0.02 0.00 0.00 35.03 35.72 3iey n LYS 42 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3iey h GLU 43 N 0.00 0.00 0.25 1.64 3.07 -2.05 -2.80 114.58 114.69 3iey h GLU 43 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3iey h GLU 43 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3iey h GLU 43 CO 0.00 0.13 -0.12 0.93 -1.40 0.00 0.00 179.01 178.55 3iey h GLU 44 N 0.00 -0.33 -0.31 2.33 4.39 -2.06 -2.33 114.58 116.27 3iey h GLU 44 Ca -0.00 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 3iey h GLU 44 Cb 0.47 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3iey h GLU 44 CO 0.02 -0.07 -0.28 0.35 -1.16 0.00 0.00 179.01 177.87 3iey h PHE 45 N -0.56 0.73 -0.67 4.33 3.57 -1.99 -2.97 116.94 119.38 3iey h PHE 45 Ca -0.03 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 3iey h PHE 45 Cb 0.41 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3iey h PHE 45 CO -0.00 0.85 0.27 1.25 -2.23 0.00 0.00 178.31 178.44 3iey h LEU 46 N 0.55 0.93 -1.15 0.59 5.85 -1.52 -0.53 115.31 120.04 3iey h LEU 46 Ca 0.07 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3iey h LEU 46 Cb 0.76 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3iey h LEU 46 CO 0.06 0.85 0.52 0.50 -0.34 0.00 0.00 178.44 180.03 3iey h LYS 47 N 0.95 1.10 -0.36 1.25 1.63 -1.29 -0.03 116.57 119.81 3iey h LYS 47 Ca 0.22 -0.08 -0.16 0.00 -0.85 0.00 0.00 60.65 59.79 3iey h LYS 47 Cb 0.21 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 3iey h LYS 47 CO -0.02 0.75 -0.38 0.87 -3.45 0.00 0.00 179.45 177.22 3iey h LYS 48 N 1.12 0.90 -0.72 1.90 1.79 -1.33 -2.13 116.57 118.11 3iey h LYS 48 Ca 0.30 -0.48 -0.05 0.00 -2.18 0.00 0.00 60.65 58.24 3iey h LYS 48 Cb -0.09 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 3iey h LYS 48 CO -0.06 1.13 0.26 0.00 -1.08 0.00 0.00 179.45 179.70 3iey h LEU 50 N 1.05 0.00 -0.89 0.00 3.38 -1.01 -0.52 115.31 117.31 3iey h LEU 50 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3iey h LEU 50 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3iey h LEU 50 CO -0.02 0.60 0.58 0.74 0.09 0.00 0.00 178.44 180.43 3iey h THR 51 N 0.00 1.24 0.21 0.22 2.02 -1.16 -3.16 112.91 112.27 3iey h THR 51 Ca -0.01 -0.45 -0.32 0.00 0.77 0.00 0.00 66.41 66.40 3iey h THR 51 Cb 1.28 -0.07 0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3iey h THR 51 CO 0.08 0.23 -1.39 0.22 0.37 0.00 0.00 175.52 175.03 3iey h TYR 52 N 1.22 0.99 -3.18 3.16 3.20 -1.30 -3.45 116.97 117.61 3iey h TYR 52 Ca 0.33 -0.69 -0.49 0.00 3.14 0.00 0.00 58.73 61.01 3iey h TYR 52 Cb -0.11 -0.05 -0.40 0.00 1.54 0.00 0.00 36.73 37.70 3iey h TYR 52 CO -0.01 1.53 -0.76 0.34 -1.64 0.00 0.00 178.16 177.63 3iey s ASP 53 N -7.52 2.66 0.53 -2.11 3.68 -0.22 -5.02 116.67 108.67 3iey s ASP 53 Ca -0.09 -0.73 0.29 0.00 2.13 0.00 0.00 52.55 54.15 3iey s ASP 53 Cb 0.04 -0.45 1.46 0.00 -1.45 0.00 0.00 42.92 42.52 3iey s ASP 53 CO 0.94 -0.32 2.06 1.05 0.13 0.00 0.00 175.17 179.03 3iey h GLU 54 N 8.32 0.00 -0.62 4.34 4.11 -1.84 -2.19 114.58 126.70 3iey h GLU 54 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 3iey h GLU 54 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3iey h GLU 54 CO 0.32 0.11 0.00 0.54 0.07 0.00 0.00 179.01 180.05 3iey n ARG 55 N -3.50 2.90 -0.04 1.06 1.74 -1.26 -4.63 116.66 112.94 3iey n ARG 55 Ca -0.01 -2.25 -0.08 0.00 -0.77 0.00 0.00 57.85 54.73 3iey n ARG 55 Cb 0.26 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 3iey n ARG 55 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3iey h PHE 56 N 3.39 -0.34 -0.74 -1.55 3.57 -1.71 -0.31 116.94 119.24 3iey h PHE 56 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3iey h PHE 56 Cb 1.06 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 3iey h PHE 56 CO 0.54 -0.20 0.47 -0.07 -2.23 0.00 0.00 178.31 176.82 3iey h LEU 57 N -0.13 0.87 0.23 0.59 3.38 -1.85 0.46 115.31 118.86 3iey h LEU 57 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iey h LEU 57 Cb 0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3iey h LEU 57 CO -0.29 0.65 -0.20 0.40 0.09 0.00 0.00 178.44 179.10 3iey h ILE 58 N 1.01 0.58 -0.85 1.22 2.04 -1.78 -1.02 117.51 118.70 3iey h ILE 58 Ca 0.27 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 3iey h ILE 58 Cb -0.08 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 3iey h ILE 58 CO -0.06 0.00 0.49 0.03 0.00 0.00 0.00 178.15 178.61 3iey h ARG 59 N -0.44 1.18 -0.17 2.37 3.08 -0.73 -3.09 114.38 116.57 3iey h ARG 59 Ca -0.01 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 3iey h ARG 59 Cb 0.40 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3iey h ARG 59 CO -0.03 0.85 -0.21 -0.92 -1.07 0.00 0.00 179.97 178.59 3iey h TYR 60 N 1.18 0.55 -0.52 3.04 3.20 0.06 -1.22 116.97 123.26 3iey h TYR 60 Ca 0.30 -0.17 0.07 0.00 3.14 0.00 0.00 58.73 62.07 3iey h TYR 60 Cb -0.00 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.10 3iey h TYR 60 CO 0.00 0.84 0.19 0.87 -1.64 0.00 0.00 178.16 178.43 3iey h LYS 61 N 0.10 0.36 -0.42 1.82 1.57 -1.21 0.41 116.57 119.19 3iey h LYS 61 Ca 0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3iey h LYS 61 Cb 0.76 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3iey h LYS 61 CO 0.05 0.24 0.14 0.00 -0.57 0.00 0.00 179.45 179.31 3iey h ALA 62 N 1.34 0.55 0.05 3.86 0.00 -1.54 -2.47 119.26 121.06 3iey h ALA 62 Ca 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iey h ALA 62 Cb 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3iey h ALA 62 CO -0.25 0.19 -0.02 -0.92 0.00 0.00 0.00 179.25 178.25 3iey h TYR 63 N 0.54 -0.06 -0.60 0.00 5.03 -0.35 -2.72 116.97 118.82 3iey h TYR 63 Ca 0.14 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.48 3iey h TYR 63 Cb 0.25 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.51 3iey h TYR 63 CO 0.01 0.03 0.36 -0.22 -1.32 0.00 0.00 178.16 177.02 3iey h LYS 64 N -0.15 0.68 -0.21 1.82 3.64 -0.27 -2.21 116.57 119.87 3iey h LYS 64 Ca -0.01 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 3iey h LYS 64 Cb 0.13 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 3iey h LYS 64 CO 0.01 0.45 -0.23 0.93 -2.27 0.00 0.00 179.45 178.35 3iey h GLU 65 N 0.70 -0.23 -0.00 1.90 4.39 -1.29 -1.75 114.58 118.30 3iey h GLU 65 Ca 0.24 0.02 -0.24 0.00 0.34 0.00 0.00 59.36 59.72 3iey h GLU 65 Cb 0.04 0.05 0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3iey h GLU 65 CO -0.11 -0.16 -0.92 -0.07 -1.16 0.00 0.00 179.01 176.59 3iey h LEU 66 N -0.24 0.82 -1.28 1.33 3.38 -1.38 -2.89 115.31 115.04 3iey h LEU 66 Ca 0.13 -0.74 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 3iey h LEU 66 Cb 0.44 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3iey h LEU 66 CO -0.36 1.45 -0.01 -0.09 0.09 0.00 0.00 178.44 179.53 3iey h ARG 67 N 0.27 0.47 -0.27 1.13 2.43 -1.40 -1.06 114.38 115.95 3iey h ARG 67 Ca -0.11 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 58.88 3iey h ARG 67 Cb 1.59 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.05 3iey h ARG 67 CO 0.18 0.51 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.53 3iey h ASP 68 N 0.46 0.48 -0.07 -3.80 3.32 -1.33 -2.99 116.42 112.49 3iey h ASP 68 Ca 0.10 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3iey h ASP 68 Cb 0.31 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3iey h ASP 68 CO 0.01 0.68 0.00 0.29 -1.72 0.00 0.00 179.24 178.50 3iey n LYS 69 N -4.16 1.27 -0.04 3.56 5.02 -0.62 -4.89 118.16 118.30 3iey n LYS 69 Ca 0.00 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 3iey n LYS 69 Cb 0.36 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3iey n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iey n GLY 70 N 0.87 0.40 3.80 0.72 0.00 -1.05 -4.93 105.19 105.01 3iey n GLY 70 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3iey n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iey s TYR 71 N -2.12 3.03 -0.11 1.61 2.02 -0.50 -4.30 117.35 116.98 3iey s TYR 71 Ca 0.00 1.56 0.02 0.00 -0.37 0.00 0.00 57.07 58.28 3iey s TYR 71 Cb 0.00 -3.04 -0.01 0.00 -0.40 0.00 0.00 41.96 38.51 3iey s TYR 71 CO 0.00 -0.83 -0.17 0.95 -1.57 0.00 0.00 175.55 173.92 3iey s THR 72 N -2.10 2.67 0.01 -0.71 -4.23 -1.09 -3.92 115.64 106.25 3iey s THR 72 Ca 0.66 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 60.41 3iey s THR 72 Cb -0.16 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 3iey s THR 72 CO 0.23 0.54 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.95 3iey s LEU 73 N 0.22 2.74 0.12 4.79 1.02 -1.26 -1.19 118.68 125.12 3iey s LEU 73 Ca -0.11 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 53.74 3iey s LEU 73 Cb -0.16 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 3iey s LEU 73 CO 0.06 0.29 -0.02 -0.83 0.02 0.00 0.00 176.35 175.87 3iey s GLY 74 N -1.22 0.91 0.57 -3.19 0.00 -0.70 -4.99 107.32 98.70 3iey s GLY 74 Ca 0.14 -1.43 -0.21 0.00 0.00 0.00 0.00 44.72 43.23 3iey s GLY 74 CO 0.04 -1.44 1.30 -0.37 0.00 0.00 0.00 173.10 172.63 3iey n THR 75 N -0.09 4.08 -1.50 0.90 5.66 -1.26 0.07 114.28 122.14 3iey n THR 75 Ca -0.09 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.47 3iey n THR 75 Cb 0.62 -1.57 0.11 0.00 -1.55 0.00 0.00 70.33 67.94 3iey n THR 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iey n ALA 76 N -1.31 2.43 -0.30 1.79 0.00 -1.12 -4.26 120.51 117.74 3iey n ALA 76 Ca 0.12 -2.31 0.05 0.00 0.00 0.00 0.00 53.44 51.30 3iey n ALA 76 Cb 0.46 -0.43 0.26 0.00 0.00 0.00 0.00 19.45 19.73 3iey n ALA 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iey h LEU 77 N 0.24 0.88 -2.50 0.00 5.85 -1.69 -0.90 115.31 117.19 3iey h LEU 77 Ca -0.02 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3iey h LEU 77 Cb 1.17 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3iey h LEU 77 CO 0.01 0.54 0.12 0.07 -0.34 0.00 0.00 178.44 178.84 3iey h LYS 78 N 0.98 0.00 0.00 1.25 2.10 -1.90 0.13 116.57 119.14 3iey h LYS 78 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3iey h LYS 78 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3iey h LYS 78 CO -0.16 0.00 -1.15 1.19 -2.00 0.00 0.00 179.45 177.33 3iey n PHE 79 N -3.42 0.05 -0.41 0.07 3.72 -0.39 -4.98 117.46 112.10 3iey n PHE 79 Ca -0.01 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3iey n PHE 79 Cb 0.20 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 3iey n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iey n GLY 80 N 1.43 0.76 3.65 1.37 0.00 0.45 -4.95 105.19 107.91 3iey n GLY 80 Ca 0.02 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 3iey n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iey s ALA 81 N -2.00 3.18 -0.02 4.61 0.00 -0.90 -4.96 121.76 121.67 3iey s ALA 81 Ca 0.00 -1.65 -0.24 0.00 0.00 0.00 0.00 51.96 50.07 3iey s ALA 81 Cb 0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 23.12 22.16 3iey s ALA 81 CO 0.00 0.26 1.11 -0.44 0.00 0.00 0.00 175.76 176.69 3iey h ASP 82 N 1.87 -0.24 -4.79 0.00 3.32 -1.81 -2.60 116.42 112.17 3iey h ASP 82 Ca -0.44 -0.28 -0.22 0.00 0.02 0.00 0.00 57.03 56.11 3iey h ASP 82 Cb 1.25 0.06 -0.22 0.00 0.22 0.00 0.00 39.33 40.64 3iey h ASP 82 CO 0.60 0.21 -0.72 -0.36 -1.72 0.00 0.00 179.24 177.26 3iey s PHE 83 N -4.15 0.41 0.04 4.55 0.08 -0.98 -2.77 117.98 115.15 3iey s PHE 83 Ca -0.14 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.44 3iey s PHE 83 Cb 0.01 -0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 42.16 3iey s PHE 83 CO 0.54 -0.13 0.17 -0.98 -0.10 0.00 0.00 175.22 174.71 3iey s ARG 84 N -1.38 3.29 -0.19 0.44 1.70 0.11 0.92 118.95 123.85 3iey s ARG 84 Ca -0.12 -0.47 -0.03 0.00 -0.47 0.00 0.00 55.73 54.63 3iey s ARG 84 Cb -0.09 -2.97 0.06 0.00 -0.57 0.00 0.00 34.95 31.38 3iey s ARG 84 CO -0.00 0.62 0.05 0.08 -1.08 0.00 0.00 175.30 174.96 3iey s VAL 85 N -1.42 0.38 0.19 4.99 1.01 -0.58 -1.73 120.40 123.25 3iey s VAL 85 Ca 0.31 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 3iey s VAL 85 Cb -0.13 -0.93 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 3iey s VAL 85 CO 0.24 -0.24 0.98 -0.31 0.00 0.00 0.00 175.10 175.76 3iey s TYR 86 N 1.92 3.86 0.92 5.22 1.51 -0.34 -3.23 117.35 127.21 3iey s TYR 86 Ca -0.00 1.83 -0.10 0.00 -1.01 0.00 0.00 57.07 57.79 3iey s TYR 86 Cb -0.17 -3.06 0.15 0.00 -0.11 0.00 0.00 41.96 38.77 3iey s TYR 86 CO -0.09 0.19 1.13 0.34 -1.11 0.00 0.00 175.55 176.01 3iey s ASP 87 N -0.65 2.91 0.30 2.29 -1.08 -1.26 -2.69 116.67 116.49 3iey s ASP 87 Ca 0.44 2.07 -0.30 0.00 -0.52 0.00 0.00 52.55 54.25 3iey s ASP 87 Cb -0.26 -2.53 -0.12 0.00 -1.46 0.00 0.00 42.92 38.55 3iey s ASP 87 CO 0.32 -3.09 1.48 -0.38 0.52 0.00 0.00 175.17 174.03 3iey n ILE 88 N -4.22 1.27 -1.84 4.11 5.41 -1.26 -3.59 119.36 119.25 3iey n ILE 88 Ca 0.11 -0.32 -0.00 0.00 1.00 0.00 0.00 62.75 63.53 3iey n ILE 88 Cb 0.52 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 3iey n ILE 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3iey n GLY 89 N 1.74 -0.37 0.00 7.39 0.00 -1.26 -5.05 105.19 107.63 3iey n GLY 89 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3iey n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3iey n VAL 90 N -1.26 0.00 -3.53 1.61 0.31 -1.24 -5.07 118.33 109.15 3iey n VAL 90 Ca -0.00 1.39 -0.22 0.00 -0.01 0.00 0.00 64.34 65.50 3iey n VAL 90 Cb 0.50 -2.18 -0.14 0.00 -0.91 0.00 0.00 33.84 31.11 3iey n VAL 90 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3iey s ILE 91 N -2.54 -0.23 -0.47 2.52 1.09 -1.26 -4.36 121.20 115.95 3iey s ILE 91 Ca 0.00 -0.22 -0.29 0.00 -1.10 0.00 0.00 60.65 59.05 3iey s ILE 91 Cb 0.00 -0.69 0.02 0.00 -1.06 0.00 0.00 42.46 40.72 3iey s ILE 91 CO 0.00 -0.30 1.36 -2.84 -0.10 0.00 0.00 174.94 173.06 3iey s PRO 92 N 2.24 3.52 0.00 2.79 0.02 -1.26 -3.32 135.00 138.99 3iey s PRO 92 Ca 0.06 0.71 0.00 0.00 0.02 0.00 0.00 61.00 61.79 3iey s PRO 92 Cb -0.16 -4.03 0.00 0.00 0.02 0.00 0.00 34.50 30.33 3iey s PRO 92 CO -0.15 -1.65 0.00 1.63 -0.33 0.00 0.00 177.00 176.50 3iey n LYS 93 N 8.22 0.00 0.00 5.54 4.76 -1.26 -5.07 118.16 130.35 3iey n LYS 93 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 3iey n LYS 93 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 3iey n LYS 93 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3iey n LYS 94 N 0.00 0.00 0.00 1.97 5.02 -1.21 -4.00 118.16 119.94 3iey n LYS 94 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3iey n LYS 94 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3iey n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iey n GLY 95 N 0.00 -0.98 2.60 0.72 0.00 -1.26 -4.85 105.19 101.42 3iey n GLY 95 Ca 0.00 0.46 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 3iey n GLY 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iey n LYS 96 N 0.00 2.87 0.00 1.61 4.81 -1.26 -4.95 118.16 121.24 3iey n LYS 96 Ca 0.00 -3.60 0.00 0.00 -0.87 0.00 0.00 58.31 53.84 3iey n LYS 96 Cb 0.00 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 32.77 3iey n LYS 96 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3iey n ARG 97 N -0.67 0.00 -2.69 1.64 5.12 -1.26 -4.99 116.66 113.81 3iey n ARG 97 Ca 0.55 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 56.39 3iey n ARG 97 Cb 0.48 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.82 3iey n ARG 97 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3iey n SER 98 N 1.28 1.19 -3.46 0.55 3.41 -1.26 -4.45 113.62 110.88 3iey n SER 98 Ca 0.00 -2.57 -0.36 0.00 -0.26 0.00 0.00 58.87 55.68 3iey n SER 98 Cb 0.00 -0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 3iey n SER 98 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3iey n GLU 99 N -0.21 1.80 -0.78 4.33 4.07 -1.26 -4.52 120.64 124.08 3iey n GLU 99 Ca 0.07 -1.75 0.00 0.00 -0.06 0.00 0.00 57.16 55.43 3iey n GLU 99 Cb 0.82 -2.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.43 3iey n GLU 99 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3iey n ARG 100 N 5.92 -0.49 -2.65 5.31 5.12 -1.26 -4.32 116.66 124.29 3iey n ARG 100 Ca 0.48 0.12 -0.04 0.00 -1.93 0.00 0.00 57.85 56.48 3iey n ARG 100 Cb 0.30 -4.05 0.01 0.00 -1.16 0.00 0.00 32.46 27.56 3iey n ARG 100 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3iey n GLU 101 N -1.38 -2.54 -1.81 5.56 1.02 -1.26 -3.99 120.64 116.24 3iey n GLU 101 Ca 0.00 2.20 -0.01 0.00 -0.02 0.00 0.00 57.16 59.33 3iey n GLU 101 Cb 0.12 -5.09 -0.00 0.00 -0.02 0.00 0.00 31.44 26.45 3iey n GLU 101 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3iey n HIS 102 N 0.07 -0.05 -1.73 -0.32 8.25 -1.26 -4.93 115.22 115.25 3iey n HIS 102 Ca 0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.13 3iey n HIS 102 Cb 0.24 -1.07 0.03 0.00 1.12 0.00 0.00 29.99 30.31 3iey n HIS 102 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3iey n SER 103 N 1.78 2.66 0.00 0.41 3.41 -1.26 -4.59 113.62 116.03 3iey n SER 103 Ca -0.01 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 3iey n SER 103 Cb 0.41 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 3iey n SER 103 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3iey n LYS 104 N -0.56 0.00 -3.64 4.33 3.00 -1.26 -3.44 118.16 116.59 3iey n LYS 104 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.35 3iey n LYS 104 Cb 0.43 -1.84 -0.06 0.00 0.00 0.00 0.00 35.03 33.55 3iey n LYS 104 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3iey s TRP 105 N -3.42 -0.17 -0.21 5.64 0.51 -1.20 -4.01 118.94 116.09 3iey s TRP 105 Ca 0.00 0.38 -0.06 0.00 -2.12 0.00 0.00 56.10 54.30 3iey s TRP 105 Cb 0.00 0.46 -0.03 0.00 -0.81 0.00 0.00 33.47 33.09 3iey s TRP 105 CO 0.00 -0.10 0.03 0.08 -0.51 0.00 0.00 176.95 176.45 3iey s VAL 106 N -0.21 4.20 -0.19 4.03 1.01 -1.13 -1.53 120.40 126.59 3iey s VAL 106 Ca 0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 3iey s VAL 106 Cb -0.04 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3iey s VAL 106 CO -0.11 0.41 0.04 -0.22 0.00 0.00 0.00 175.10 175.21 3iey s LEU 107 N 1.07 3.58 -0.55 3.92 2.96 0.26 0.19 118.68 130.12 3iey s LEU 107 Ca 0.03 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.90 3iey s LEU 107 Cb -0.14 -1.90 0.14 0.00 0.50 0.00 0.00 46.19 44.78 3iey s LEU 107 CO 0.02 0.13 0.34 -0.31 -1.32 0.00 0.00 176.35 175.21 3iey s TYR 108 N 0.59 3.39 0.15 5.38 2.02 0.33 -2.33 117.35 126.88 3iey s TYR 108 Ca 0.01 -2.84 -0.31 0.00 -0.37 0.00 0.00 57.07 53.56 3iey s TYR 108 Cb -0.13 -3.07 -0.10 0.00 -0.40 0.00 0.00 41.96 38.25 3iey s TYR 108 CO 0.02 -0.83 1.67 -2.14 -1.57 0.00 0.00 175.55 172.69 3iey s PRO 109 N 0.06 4.18 -0.02 -1.71 0.02 -1.26 -2.89 135.00 133.38 3iey s PRO 109 Ca 0.16 2.46 -0.07 0.00 0.02 0.00 0.00 61.00 63.56 3iey s PRO 109 Cb -0.22 -3.29 0.01 0.00 0.02 0.00 0.00 34.50 31.01 3iey s PRO 109 CO -0.03 -0.71 0.15 0.54 -0.33 0.00 0.00 177.00 176.63 3iey s VAL 110 N 1.71 0.06 0.23 3.83 0.11 -0.93 -4.79 120.40 120.61 3iey s VAL 110 Ca 0.74 -0.49 -0.24 0.00 -2.93 0.00 0.00 61.98 59.07 3iey s VAL 110 Cb -0.45 -0.38 -0.09 0.00 -1.53 0.00 0.00 36.38 33.93 3iey s VAL 110 CO 0.32 -0.27 0.81 -0.55 -3.33 0.00 0.00 175.10 172.09 3iey s SER 111 N -0.95 7.28 0.61 3.54 0.15 -1.26 -0.08 113.70 122.98 3iey s SER 111 Ca -0.10 1.63 0.39 0.00 0.70 0.00 0.00 55.95 58.56 3iey s SER 111 Cb -0.06 -2.50 1.98 0.00 -1.71 0.00 0.00 66.02 63.73 3iey s SER 111 CO 0.01 0.08 2.22 0.50 1.20 0.00 0.00 173.24 177.25 3iey h LYS 112 N 3.71 0.00 -0.02 5.44 3.64 -1.43 -2.22 116.57 125.69 3iey h LYS 112 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3iey h LYS 112 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3iey h LYS 112 CO 0.66 0.02 -0.22 -0.25 -2.27 0.00 0.00 179.45 177.39 3iey n ASP 113 N -3.20 2.10 -4.76 4.20 8.00 -1.26 -4.96 116.55 116.67 3iey n ASP 113 Ca -0.02 -1.55 -0.41 0.00 0.71 0.00 0.00 54.79 53.53 3iey n ASP 113 Cb 0.16 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 3iey n ASP 113 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3iey s GLU 114 N -1.86 4.49 0.33 -1.24 2.02 -0.84 -5.05 118.70 116.55 3iey s GLU 114 Ca 0.18 1.99 -0.03 0.00 0.02 0.00 0.00 54.97 57.13 3iey s GLU 114 Cb 0.15 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 3iey s GLU 114 CO 0.36 -0.03 0.58 0.95 0.02 0.00 0.00 175.26 177.14 3iey s THR 115 N -0.85 5.04 -0.02 3.63 -4.23 -1.26 -4.94 115.64 113.01 3iey s THR 115 Ca 0.49 -0.10 -0.18 0.00 -1.18 0.00 0.00 61.69 60.72 3iey s THR 115 Cb -0.35 -3.79 0.03 0.00 1.34 0.00 0.00 72.50 69.73 3iey s THR 115 CO 0.44 -0.45 0.39 0.72 -0.54 0.00 0.00 174.62 175.18 3iey s PHE 116 N -2.23 -0.27 0.50 3.99 -0.12 -1.26 -5.15 117.98 113.43 3iey s PHE 116 Ca 0.43 0.42 0.09 0.00 -0.05 0.00 0.00 56.93 57.82 3iey s PHE 116 Cb -0.10 0.16 0.05 0.00 -0.63 0.00 0.00 43.02 42.50 3iey s PHE 116 CO 0.33 -0.45 0.67 0.16 -0.05 0.00 0.00 175.22 175.89 3iey s ASP 117 N -1.37 5.37 0.00 1.98 1.47 -1.26 -5.03 116.67 117.83 3iey s ASP 117 Ca -0.12 -0.64 0.28 0.00 1.18 0.00 0.00 52.55 53.24 3iey s ASP 117 Cb -0.04 -0.18 1.08 0.00 -0.34 0.00 0.00 42.92 43.44 3iey s ASP 117 CO 0.05 -1.04 1.78 0.49 0.68 0.00 0.00 175.17 177.12 3iey n PHE 118 N -2.03 0.00 -0.09 2.11 3.01 -1.26 -2.47 117.46 116.73 3iey n PHE 118 Ca 0.12 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.47 3iey n PHE 118 Cb 0.60 -0.20 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 3iey n PHE 118 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 3iey h TYR 119 N 0.59 0.45 -0.53 1.38 0.05 -1.99 -1.24 116.97 115.69 3iey h TYR 119 Ca 0.00 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.73 3iey h TYR 119 Cb 0.41 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 3iey h TYR 119 CO 0.00 0.52 0.34 1.49 -1.05 0.00 0.00 178.16 179.46 3iey h GLU 120 N 0.25 0.67 0.09 4.88 4.81 -1.90 -0.53 114.58 122.85 3iey h GLU 120 Ca 0.08 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3iey h GLU 120 Cb 0.31 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3iey h GLU 120 CO 0.00 0.44 -0.04 0.35 -0.73 0.00 0.00 179.01 179.03 3iey h PHE 121 N 0.69 -0.11 -0.80 0.92 3.57 -1.45 -1.40 116.94 118.36 3iey h PHE 121 Ca 0.20 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.71 3iey h PHE 121 Cb -0.05 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 3iey h PHE 121 CO -0.05 -0.03 0.53 0.00 -2.23 0.00 0.00 178.31 176.54 3iey h ALA 122 N 0.75 1.45 -0.04 2.41 0.00 -1.16 -2.60 119.26 120.07 3iey h ALA 122 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iey h ALA 122 Cb 0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3iey h ALA 122 CO 0.02 0.51 0.02 1.03 0.00 0.00 0.00 179.25 180.83 3iey h SER 123 N 1.07 0.05 -0.98 0.00 0.87 -0.76 -0.88 113.55 112.92 3iey h SER 123 Ca 0.30 -0.10 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 3iey h SER 123 Cb -0.09 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 61.78 3iey h SER 123 CO -0.07 0.14 0.63 0.11 -0.53 0.00 0.00 176.83 177.11 3iey h LYS 124 N -0.04 1.01 -0.06 2.24 1.57 -1.04 -1.71 116.57 118.54 3iey h LYS 124 Ca 0.01 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 3iey h LYS 124 Cb 0.10 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3iey h LYS 124 CO -0.00 0.67 -0.78 -0.97 -0.57 0.00 0.00 179.45 177.80 3iey h ASN 125 N 1.04 0.51 -0.52 0.86 -0.73 -1.34 -2.95 115.58 112.45 3iey h ASN 125 Ca 0.45 -0.35 -0.06 0.00 1.87 0.00 0.00 56.30 58.22 3iey h ASN 125 Cb 0.35 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.77 3iey h ASN 125 CO -0.21 1.10 0.11 -0.09 -0.37 0.00 0.00 177.43 177.98 3iey h ARG 126 N 0.27 0.85 -0.49 6.67 9.65 -0.48 0.71 114.38 131.57 3iey h ARG 126 Ca -0.04 -0.21 -0.11 0.00 -1.10 0.00 0.00 59.98 58.51 3iey h ARG 126 Cb 1.37 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.83 3iey h ARG 126 CO 0.13 0.82 -0.15 -0.39 2.80 0.00 0.00 179.97 183.18 3iey h VAL 127 N 0.74 1.27 -0.15 0.20 -1.51 -1.40 -0.03 116.25 115.37 3iey h VAL 127 Ca 0.16 -1.29 0.03 0.00 -1.23 0.00 0.00 66.70 64.37 3iey h VAL 127 Cb 0.36 1.05 -0.03 0.00 -2.13 0.00 0.00 31.29 30.55 3iey h VAL 127 CO 0.01 0.45 -0.02 0.00 -1.23 0.00 0.00 177.57 176.77 3iey h ALA 128 N 0.99 0.11 -0.98 5.19 0.00 -1.35 -2.65 119.26 120.57 3iey h ALA 128 Ca 0.12 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3iey h ALA 128 Cb 0.70 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3iey h ALA 128 CO 0.05 -0.47 0.64 1.25 0.00 0.00 0.00 179.25 180.72 3iey h HIS 129 N 0.02 1.19 0.00 0.00 6.17 -0.61 -1.57 115.15 120.34 3iey h HIS 129 Ca 0.07 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.18 3iey h HIS 129 Cb 0.10 -0.39 0.00 0.00 2.52 0.00 0.00 27.41 29.64 3iey h HIS 129 CO -0.17 0.65 0.00 0.66 0.71 0.00 0.00 177.93 179.78 3iey h SER 130 N 1.19 0.00 -0.22 3.26 4.64 -0.66 -1.62 113.55 120.15 3iey h SER 130 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3iey h SER 130 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3iey h SER 130 CO -0.14 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.17 3iey n THR 131 N -3.08 0.28 -3.61 2.95 -2.24 -0.83 -4.97 114.28 102.78 3iey n THR 131 Ca -0.01 -0.64 -0.23 0.00 -2.27 0.00 0.00 64.05 60.90 3iey n THR 131 Cb 0.19 1.20 0.07 0.00 -2.10 0.00 0.00 70.33 69.69 3iey n THR 131 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iey n ARG 132 N 1.35 -6.88 -0.78 -0.78 1.74 -0.61 -5.01 116.66 105.69 3iey n ARG 132 Ca 0.16 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 3iey n ARG 132 Cb 0.58 -5.74 0.00 0.00 -1.02 0.00 0.00 32.46 26.27 3iey n ARG 132 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3iey n LYS 133 N -4.63 3.12 -3.82 5.56 5.02 -0.65 -4.81 118.16 117.95 3iey n LYS 133 Ca -0.11 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 3iey n LYS 133 Cb 0.60 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.45 3iey n LYS 133 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3iey s LYS 134 N -0.13 1.02 -0.24 1.97 1.02 -1.26 -4.50 119.74 117.62 3iey s LYS 134 Ca 0.00 -0.97 -0.42 0.00 0.02 0.00 0.00 55.97 54.60 3iey s LYS 134 Cb 0.00 -2.30 -0.18 0.00 -0.52 0.00 0.00 37.83 34.83 3iey s LYS 134 CO 0.00 -0.79 1.47 -0.12 -0.92 0.00 0.00 175.35 174.98 3iey n MET 135 N 4.79 0.44 -3.97 1.68 0.00 -1.25 -2.82 117.12 116.00 3iey n MET 135 Ca -0.06 0.16 -0.34 0.00 -0.00 0.00 0.00 57.70 57.47 3iey n MET 135 Cb 0.44 -1.73 -0.14 0.00 0.00 0.00 0.00 33.22 31.79 3iey n MET 135 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3iey s LEU 136 N 2.02 3.96 -0.25 -0.89 2.96 0.52 -1.95 118.68 125.05 3iey s LEU 136 Ca 0.97 -1.49 -0.13 0.00 -0.22 0.00 0.00 54.13 53.26 3iey s LEU 136 Cb -1.26 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 3iey s LEU 136 CO 0.67 -0.28 0.26 -0.04 -1.32 0.00 0.00 176.35 175.64 3iey s MET 137 N 1.15 4.05 -0.49 1.98 -1.94 0.32 -0.51 119.30 123.87 3iey s MET 137 Ca -0.03 -0.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 3iey s MET 137 Cb -0.20 -3.59 0.13 0.00 2.01 0.00 0.00 34.83 33.18 3iey s MET 137 CO -0.04 -0.09 0.25 0.20 -0.01 0.00 0.00 175.02 175.34 3iey s GLY 138 N 1.33 2.25 0.07 -0.03 0.00 -1.14 0.79 107.32 110.60 3iey s GLY 138 Ca 0.11 -2.94 -0.31 0.00 0.00 0.00 0.00 44.72 41.58 3iey s GLY 138 CO 0.08 1.03 1.36 -0.42 0.00 0.00 0.00 173.10 175.14 3iey s ILE 139 N 0.36 3.55 -0.10 0.90 1.01 -0.17 -2.19 121.20 124.56 3iey s ILE 139 Ca 0.14 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.86 3iey s ILE 139 Cb -0.22 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 3iey s ILE 139 CO -0.04 0.06 -0.11 -0.69 0.00 0.00 0.00 174.94 174.16 3iey s VAL 140 N 1.50 3.30 0.00 2.92 1.01 0.89 -1.91 120.40 128.10 3iey s VAL 140 Ca 0.63 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3iey s VAL 140 Cb -0.34 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3iey s VAL 140 CO 0.29 0.55 0.00 -1.54 0.00 0.00 0.00 175.10 174.40 3iey n SER 141 N 3.00 0.00 -0.39 3.32 3.41 -1.26 -1.04 113.62 120.66 3iey n SER 141 Ca -0.18 0.00 0.35 0.00 -0.26 0.00 0.00 58.87 58.78 3iey n SER 141 Cb 0.53 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.09 3iey n SER 141 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3iey h ASP 142 N 0.00 0.29 -1.61 4.04 3.45 -2.05 -3.40 116.42 117.13 3iey h ASP 142 Ca 0.00 0.20 -0.60 0.00 0.43 0.00 0.00 57.03 57.06 3iey h ASP 142 Cb 0.00 0.20 -0.11 0.00 -0.56 0.00 0.00 39.33 38.86 3iey h ASP 142 CO 0.00 -0.31 -0.55 -0.75 -1.57 0.00 0.00 179.24 176.06 3iey s LYS 143 N -5.42 2.10 -0.08 3.56 2.20 -1.26 -5.15 119.74 115.69 3iey s LYS 143 Ca -0.08 -1.98 0.01 0.00 -0.36 0.00 0.00 55.97 53.56 3iey s LYS 143 Cb 0.32 -1.82 0.02 0.00 -1.51 0.00 0.00 37.83 34.84 3iey s LYS 143 CO 0.80 -0.09 -0.09 0.42 -0.36 0.00 0.00 175.35 176.03 3iey s ILE 144 N -2.65 0.99 -0.09 5.43 1.01 -1.26 -4.52 121.20 120.11 3iey s ILE 144 Ca 0.38 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.72 3iey s ILE 144 Cb 0.07 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 3iey s ILE 144 CO 0.20 0.34 -0.19 -1.61 0.00 0.00 0.00 174.94 173.68 3iey s GLU 145 N 1.11 2.92 -0.26 2.79 2.02 -0.80 -4.99 118.70 121.48 3iey s GLU 145 Ca -0.07 -0.79 -0.07 0.00 0.02 0.00 0.00 54.97 54.06 3iey s GLU 145 Cb -0.14 -2.38 -0.02 0.00 0.10 0.00 0.00 34.13 31.69 3iey s GLU 145 CO -0.01 0.33 0.08 -0.06 0.02 0.00 0.00 175.26 175.61 3iey s PHE 146 N 0.01 3.10 -0.22 1.61 0.08 -1.26 -1.00 117.98 120.30 3iey s PHE 146 Ca -0.06 -0.55 -0.04 0.00 0.12 0.00 0.00 56.93 56.40 3iey s PHE 146 Cb -0.15 -2.25 -0.01 0.00 -0.57 0.00 0.00 43.02 40.04 3iey s PHE 146 CO 0.05 -0.41 -0.04 0.42 -0.10 0.00 0.00 175.22 175.13 3iey s ILE 147 N 1.59 3.39 -0.22 0.64 1.01 0.24 -4.96 121.20 122.89 3iey s ILE 147 Ca 0.06 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 60.06 3iey s ILE 147 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3iey s ILE 147 CO 0.03 0.42 0.43 -0.70 0.00 0.00 0.00 174.94 175.13 3iey s GLU 148 N 1.46 4.14 -0.17 2.79 2.12 -1.26 -0.52 118.70 127.26 3iey s GLU 148 Ca 0.06 0.22 -0.05 0.00 0.36 0.00 0.00 54.97 55.56 3iey s GLU 148 Cb -0.14 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 3iey s GLU 148 CO -0.03 -0.14 -0.01 0.54 -0.54 0.00 0.00 175.26 175.08 3iey s VAL 149 N 1.62 4.13 -0.05 3.70 0.11 -0.82 -5.03 120.40 124.06 3iey s VAL 149 Ca 0.19 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.02 3iey s VAL 149 Cb -0.15 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.84 3iey s VAL 149 CO 0.09 0.48 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.72 3iey s SER 150 N 0.43 3.76 -0.76 3.54 0.01 -1.26 -3.87 113.70 115.54 3iey s SER 150 Ca -0.02 -0.29 -0.25 0.00 1.31 0.00 0.00 55.95 56.70 3iey s SER 150 Cb -0.14 -0.85 0.05 0.00 0.21 0.00 0.00 66.02 65.29 3iey s SER 150 CO 0.02 0.31 1.22 0.86 0.41 0.00 0.00 173.24 176.06 3iey s TRP 151 N -0.52 2.44 0.54 2.43 -0.11 -1.26 -5.01 118.94 117.45 3iey s TRP 151 Ca 0.07 -0.32 -0.17 0.00 1.22 0.00 0.00 56.10 56.90 3iey s TRP 151 Cb -0.11 -4.55 -0.06 0.00 -1.50 0.00 0.00 33.47 27.25 3iey s TRP 151 CO 0.01 -1.94 1.02 0.15 -4.62 0.00 0.00 176.95 171.58 3iey s LYS 152 N 5.13 3.65 -0.42 5.86 -0.14 -1.26 -5.04 119.74 127.51 3iey s LYS 152 Ca 0.33 1.13 0.09 0.00 -1.36 0.00 0.00 55.97 56.17 3iey s LYS 152 Cb -0.09 -2.08 0.31 0.00 -1.68 0.00 0.00 37.83 34.29 3iey s LYS 152 CO 0.10 -0.54 0.70 1.63 -0.76 0.00 0.00 175.35 176.48 3iey n LYS 153 N -1.67 1.32 0.00 1.68 5.02 -1.26 -5.33 118.16 117.92 3iey n LYS 153 Ca 0.08 -3.63 0.05 0.00 -2.02 0.00 0.00 58.31 52.79 3iey n LYS 153 Cb 0.53 -1.68 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3iey n LYS 153 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53