#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9k s VAL 2 N 0.00 4.99 0.67 9.51 1.01 -1.26 -0.54 120.40 134.77 3i9k s VAL 2 Ca 0.00 1.53 -0.11 0.00 0.00 0.00 0.00 61.98 63.40 3i9k s VAL 2 Cb 0.00 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3i9k s VAL 2 CO 0.00 0.18 1.05 -2.16 0.00 0.00 0.00 175.10 174.17 3i9k s PRO 3 N 1.20 3.17 0.20 2.72 0.04 -1.26 -4.86 135.00 136.21 3i9k s PRO 3 Ca 0.39 0.85 -0.32 0.00 0.04 0.00 0.00 61.00 61.95 3i9k s PRO 3 Cb -0.18 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 3i9k s PRO 3 CO 0.17 -0.90 1.67 2.41 0.04 0.00 0.00 177.00 180.39 3i9k n THR 4 N -2.98 0.07 -2.14 1.26 -1.04 0.30 -4.90 114.28 104.84 3i9k n THR 4 Ca 0.07 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.71 3i9k n THR 4 Cb 0.54 -1.85 0.01 0.00 -1.82 0.00 0.00 70.33 67.21 3i9k n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3i9k s ARG 5 N 0.99 3.21 -1.35 -2.82 0.52 -1.26 -3.99 118.95 114.25 3i9k s ARG 5 Ca 0.75 1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 57.56 3i9k s ARG 5 Cb -0.55 -1.99 -0.00 0.00 0.52 0.00 0.00 34.95 32.93 3i9k s ARG 5 CO 0.35 -0.96 0.56 0.39 0.02 0.00 0.00 175.30 175.65 3i9k n GLU 6 N -1.53 -3.96 -0.08 3.54 1.02 -1.26 -4.77 120.64 113.60 3i9k n GLU 6 Ca 0.12 0.51 -0.08 0.00 -0.02 0.00 0.00 57.16 57.69 3i9k n GLU 6 Cb 0.51 -4.82 -0.00 0.00 -0.02 0.00 0.00 31.44 27.11 3i9k n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i9k h LEU 7 N -1.85 0.13 -0.34 -4.62 5.85 -1.98 0.12 115.31 112.62 3i9k h LEU 7 Ca -0.62 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.15 3i9k h LEU 7 Cb 1.37 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 3i9k h LEU 7 CO 0.59 0.11 0.15 -0.08 -0.34 0.00 0.00 178.44 178.87 3i9k h GLU 8 N 0.24 0.30 -0.45 1.25 4.81 -1.94 -0.70 114.58 118.10 3i9k h GLU 8 Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3i9k h GLU 8 Cb 0.09 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3i9k h GLU 8 CO -0.13 0.20 0.25 -0.91 -0.73 0.00 0.00 179.01 177.70 3i9k h ASN 9 N 0.31 0.56 -0.23 1.04 2.35 -1.45 -0.63 115.58 117.53 3i9k h ASN 9 Ca 0.15 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3i9k h ASN 9 Cb 0.08 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3i9k h ASN 9 CO -0.12 0.48 0.01 0.58 -1.65 0.00 0.00 177.43 176.73 3i9k h VAL 10 N 0.59 0.85 0.11 2.81 2.07 -0.69 0.12 116.25 122.11 3i9k h VAL 10 Ca 0.16 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3i9k h VAL 10 Cb 0.04 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3i9k h VAL 10 CO -0.03 0.02 -0.14 0.15 0.02 0.00 0.00 177.57 177.59 3i9k h PHE 11 N 0.09 -0.36 -0.54 1.57 3.04 -0.85 0.30 116.94 120.18 3i9k h PHE 11 Ca 0.11 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.99 3i9k h PHE 11 Cb 0.13 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 3i9k h PHE 11 CO -0.18 -0.21 0.05 -0.07 -2.02 0.00 0.00 178.31 175.88 3i9k h LEU 12 N -0.29 0.85 0.26 0.59 3.38 -1.02 0.99 115.31 120.06 3i9k h LEU 12 Ca 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3i9k h LEU 12 Cb 0.30 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i9k h LEU 12 CO -0.06 0.88 -0.13 1.23 0.09 0.00 0.00 178.44 180.46 3i9k h GLY 13 N 1.00 -0.37 0.52 0.83 0.00 -0.49 -0.76 103.07 103.79 3i9k h GLY 13 Ca 0.17 0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.72 3i9k h GLY 13 CO 0.01 -0.13 0.41 3.21 0.00 0.00 0.00 176.54 180.04 3i9k h ARG 14 N -0.37 0.68 -0.60 4.80 3.08 -0.89 -0.41 114.38 120.68 3i9k h ARG 14 Ca -0.04 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 3i9k h ARG 14 Cb 0.28 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3i9k h ARG 14 CO 0.06 0.45 0.02 0.00 -1.07 0.00 0.00 179.97 179.43 3i9k h LYS 16 N 0.93 0.21 -0.52 0.00 1.63 -0.84 0.57 116.57 118.55 3i9k h LYS 16 Ca 0.17 -0.11 0.10 0.00 -0.85 0.00 0.00 60.65 59.96 3i9k h LYS 16 Cb 0.53 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.06 3i9k h LYS 16 CO 0.03 0.65 -0.16 0.22 -3.45 0.00 0.00 179.45 176.73 3i9k h ASP 17 N -0.22 -0.58 0.02 4.20 3.58 -1.05 -1.45 116.42 120.92 3i9k h ASP 17 Ca 0.01 0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 3i9k h ASP 17 Cb 0.62 0.36 0.00 0.00 1.72 0.00 0.00 39.33 42.02 3i9k h ASP 17 CO 0.02 -0.20 -0.01 0.22 -2.88 0.00 0.00 179.24 176.39 3i9k h TYR 18 N -0.04 -0.02 -0.35 0.28 5.03 -0.61 0.85 116.97 122.11 3i9k h TYR 18 Ca 0.25 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.63 3i9k h TYR 18 Cb 0.42 0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.63 3i9k h TYR 18 CO -0.46 0.20 -0.15 1.49 -1.32 0.00 0.00 178.16 177.92 3i9k h GLU 19 N -0.24 -0.08 0.04 1.82 4.81 -0.55 -2.01 114.58 118.38 3i9k h GLU 19 Ca -0.00 0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 3i9k h GLU 19 Cb 0.23 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3i9k h GLU 19 CO 0.00 -0.05 -1.43 0.82 -0.73 0.00 0.00 179.01 177.62 3i9k h ILE 20 N -0.08 1.22 0.00 2.32 1.08 -1.22 -3.43 117.51 117.39 3i9k h ILE 20 Ca 0.18 -2.96 0.00 0.00 -0.39 0.00 0.00 64.86 61.69 3i9k h ILE 20 Cb 0.35 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 3i9k h ILE 20 CO -0.41 0.76 -0.04 0.35 -0.69 0.00 0.00 178.15 178.12 3i9k n THR 21 N -3.28 0.00 -4.43 -0.27 -2.24 0.29 -5.02 114.28 99.33 3i9k n THR 21 Ca -0.12 -0.32 -0.34 0.00 -2.27 0.00 0.00 64.05 61.01 3i9k n THR 21 Cb 1.01 0.96 -0.11 0.00 -2.10 0.00 0.00 70.33 70.09 3i9k n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i9k s ARG 22 N -0.72 3.24 -1.72 -0.78 1.81 -0.77 -4.60 118.95 115.41 3i9k s ARG 22 Ca 0.00 -0.48 -0.02 0.00 -1.72 0.00 0.00 55.73 53.51 3i9k s ARG 22 Cb 0.00 -2.81 0.00 0.00 -0.45 0.00 0.00 34.95 31.69 3i9k s ARG 22 CO 0.00 0.50 0.20 0.66 -0.68 0.00 0.00 175.30 175.98 3i9k n TYR 23 N 2.76 -1.32 0.06 -0.53 4.02 -1.26 -4.81 117.16 116.08 3i9k n TYR 23 Ca -0.18 0.17 0.02 0.00 -0.01 0.00 0.00 57.90 57.90 3i9k n TYR 23 Cb 0.53 -4.16 0.38 0.00 -0.02 0.00 0.00 39.34 36.06 3i9k n TYR 23 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3i9k h LEU 24 N -0.46 0.37 -2.92 7.72 3.38 -1.81 0.15 115.31 121.74 3i9k h LEU 24 Ca -0.51 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3i9k h LEU 24 Cb 1.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3i9k h LEU 24 CO 0.58 0.42 0.00 0.47 0.09 0.00 0.00 178.44 180.00 3i9k n ASP 25 N -4.34 3.56 -0.03 -0.43 8.00 -1.26 -4.51 116.55 117.53 3i9k n ASP 25 Ca 0.01 -2.16 -0.03 0.00 0.71 0.00 0.00 54.79 53.32 3i9k n ASP 25 Cb 0.20 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 3i9k n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3i9k n ILE 26 N 0.81 0.33 -4.00 0.53 5.41 -0.58 -5.05 119.36 116.81 3i9k n ILE 26 Ca 0.18 -0.15 -0.11 0.00 1.00 0.00 0.00 62.75 63.67 3i9k n ILE 26 Cb 0.59 -0.76 -0.12 0.00 -0.71 0.00 0.00 39.64 38.64 3i9k n ILE 26 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3i9k s LEU 27 N -5.02 2.21 0.75 1.39 1.43 0.42 -4.66 118.68 115.21 3i9k s LEU 27 Ca -0.06 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 3i9k s LEU 27 Cb 0.02 0.01 0.04 0.00 0.03 0.00 0.00 46.19 46.29 3i9k s LEU 27 CO 0.15 -0.23 1.08 -2.16 0.23 0.00 0.00 176.35 175.42 3i9k s PRO 28 N -1.29 2.44 0.55 1.29 0.04 -1.26 -4.56 135.00 132.21 3i9k s PRO 28 Ca -0.12 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 3i9k s PRO 28 Cb -0.09 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 3i9k s PRO 28 CO -0.01 -1.42 0.95 1.03 0.04 0.00 0.00 177.00 177.59 3i9k s ARG 29 N -5.06 3.66 0.07 4.56 1.81 -1.26 -4.94 118.95 117.79 3i9k s ARG 29 Ca 0.60 0.64 -0.07 0.00 -1.72 0.00 0.00 55.73 55.18 3i9k s ARG 29 Cb -0.15 -2.18 -0.05 0.00 -0.45 0.00 0.00 34.95 32.12 3i9k s ARG 29 CO 0.55 -0.39 0.33 0.08 -0.68 0.00 0.00 175.30 175.19 3i9k s VAL 30 N -2.92 5.20 0.22 3.52 1.01 -1.26 -4.99 120.40 121.19 3i9k s VAL 30 Ca 0.54 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.76 3i9k s VAL 30 Cb -0.11 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 3i9k s VAL 30 CO 0.46 0.25 1.53 0.03 0.00 0.00 0.00 175.10 177.37 3i9k h ARG 31 N 3.58 0.23 -6.94 2.72 2.47 -1.95 -3.45 114.38 111.04 3i9k h ARG 31 Ca -0.48 -0.17 -0.51 0.00 -1.26 0.00 0.00 59.98 57.55 3i9k h ARG 31 Cb 1.19 0.03 0.06 0.00 -1.65 0.00 0.00 29.97 29.60 3i9k h ARG 31 CO 0.68 0.80 0.54 -1.12 0.56 0.00 0.00 179.97 181.44 3i9k s SER 32 N -6.90 6.45 0.69 7.04 0.01 -1.26 -5.02 113.70 114.70 3i9k s SER 32 Ca -0.04 2.45 -0.08 0.00 1.31 0.00 0.00 55.95 59.59 3i9k s SER 32 Cb 0.12 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.76 3i9k s SER 32 CO 0.80 -0.74 1.03 1.51 0.41 0.00 0.00 173.24 176.25 3i9k s ASP 33 N -0.99 5.14 0.20 2.44 -4.77 -1.26 -4.84 116.67 112.59 3i9k s ASP 33 Ca 0.57 0.75 -0.10 0.00 -3.30 0.00 0.00 52.55 50.46 3i9k s ASP 33 Cb -0.33 -1.50 0.14 0.00 -1.09 0.00 0.00 42.92 40.13 3i9k s ASP 33 CO 0.42 -1.43 1.85 0.00 0.70 0.00 0.00 175.17 176.71 3i9k h SER 35 N 0.99 1.10 -0.40 0.00 4.64 -1.97 -0.96 113.55 116.96 3i9k h SER 35 Ca 0.26 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.48 3i9k h SER 35 Cb -0.04 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 3i9k h SER 35 CO -0.05 0.78 -0.07 0.00 -0.87 0.00 0.00 176.83 176.62 3i9k h ALA 36 N 1.38 0.55 -0.63 5.18 0.00 -1.66 -1.42 119.26 122.66 3i9k h ALA 36 Ca 0.37 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3i9k h ALA 36 Cb -0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3i9k h ALA 36 CO -0.10 0.39 0.40 -0.07 0.00 0.00 0.00 179.25 179.88 3i9k h LEU 37 N 0.57 0.68 -0.45 0.00 3.38 -0.89 -1.79 115.31 116.81 3i9k h LEU 37 Ca 0.10 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3i9k h LEU 37 Cb 0.58 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3i9k h LEU 37 CO 0.03 0.49 0.27 -0.25 0.09 0.00 0.00 178.44 179.07 3i9k h TRP 38 N 0.81 0.50 -0.35 1.13 2.91 -1.05 -0.25 115.95 119.65 3i9k h TRP 38 Ca 0.24 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.29 3i9k h TRP 38 Cb -0.05 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 28.41 3i9k h TRP 38 CO -0.04 0.29 0.20 0.87 -1.03 0.00 0.00 178.44 178.73 3i9k h LYS 39 N 0.54 0.39 -0.50 2.65 1.57 -0.85 0.11 116.57 120.49 3i9k h LYS 39 Ca 0.18 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 3i9k h LYS 39 Cb 0.00 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 3i9k h LYS 39 CO -0.08 0.26 0.19 -0.44 -0.57 0.00 0.00 179.45 178.82 3i9k h ASP 40 N 0.41 0.22 -0.11 0.86 3.32 -1.07 -1.66 116.42 118.38 3i9k h ASP 40 Ca 0.14 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3i9k h ASP 40 Cb 0.02 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3i9k h ASP 40 CO -0.08 0.15 0.02 0.15 -1.72 0.00 0.00 179.24 177.77 3i9k h PHE 41 N 0.38 0.19 -0.76 4.55 3.57 -0.36 -2.77 116.94 121.75 3i9k h PHE 41 Ca 0.24 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3i9k h PHE 41 Cb 0.23 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 3i9k h PHE 41 CO -0.15 0.37 0.29 0.35 -2.23 0.00 0.00 178.31 176.95 3i9k h PHE 42 N -0.04 1.16 -0.11 0.41 3.57 -0.72 -1.13 116.94 120.08 3i9k h PHE 42 Ca 0.03 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.47 3i9k h PHE 42 Cb 0.28 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3i9k h PHE 42 CO 0.01 0.89 0.08 -0.22 -2.23 0.00 0.00 178.31 176.85 3i9k h LYS 43 N 1.10 0.00 -0.25 1.11 3.64 -1.27 -1.99 116.57 118.91 3i9k h LYS 43 Ca 0.25 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3i9k h LYS 43 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3i9k h LYS 43 CO -0.02 0.00 -0.28 0.00 -2.27 0.00 0.00 179.45 176.88 3i9k h ALA 44 N 1.94 1.06 0.00 5.00 0.00 -0.90 -3.34 119.26 123.01 3i9k h ALA 44 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3i9k h ALA 44 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i9k h ALA 44 CO -0.00 0.58 -0.77 1.97 0.00 0.00 0.00 179.25 181.03 3i9k n PHE 45 N -4.10 0.00 -2.52 0.00 -1.74 -1.12 -4.77 117.46 103.21 3i9k n PHE 45 Ca -0.01 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.56 3i9k n PHE 45 Cb 0.43 -0.01 -0.04 0.00 1.52 0.00 0.00 39.48 41.37 3i9k n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 3i9k s SER 46 N -1.82 6.55 -1.50 5.98 1.04 -0.76 -3.36 113.70 119.83 3i9k s SER 46 Ca -0.00 1.73 -0.05 0.00 0.48 0.00 0.00 55.95 58.10 3i9k s SER 46 Cb 0.01 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.61 3i9k s SER 46 CO 0.03 -0.64 0.53 0.49 0.98 0.00 0.00 173.24 174.64 3i9k n PHE 47 N -1.19 -1.87 -4.07 5.02 3.72 -0.08 -4.91 117.46 114.07 3i9k n PHE 47 Ca 0.08 0.47 -0.14 0.00 -0.05 0.00 0.00 57.45 57.81 3i9k n PHE 47 Cb 0.53 -4.09 -0.12 0.00 -0.94 0.00 0.00 39.48 34.87 3i9k n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3i9k s LYS 48 N -5.72 0.55 0.32 -1.08 1.02 -1.20 -4.72 119.74 108.92 3i9k s LYS 48 Ca 0.30 -0.75 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 3i9k s LYS 48 Cb -0.14 -0.34 -0.11 0.00 -0.52 0.00 0.00 37.83 36.72 3i9k s LYS 48 CO 0.37 0.06 1.49 1.21 -0.92 0.00 0.00 175.35 177.56 3i9k s ASN 49 N -1.54 6.48 0.34 2.83 3.84 -1.26 -2.46 114.94 123.17 3i9k s ASN 49 Ca -0.09 2.89 0.08 0.00 0.21 0.00 0.00 52.86 55.95 3i9k s ASN 49 Cb -0.10 -2.65 0.80 0.00 -0.55 0.00 0.00 41.25 38.76 3i9k s ASN 49 CO 0.01 -0.80 1.83 -0.65 -2.79 0.00 0.00 177.10 174.69 3i9k h PRO 50 N 4.08 0.69 0.00 0.43 0.11 -1.91 -0.76 132.00 134.63 3i9k h PRO 50 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i9k h PRO 50 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3i9k h PRO 50 CO 0.72 0.46 0.00 0.00 -0.21 0.00 0.00 178.00 178.97 3i9k n ASP 52 N -1.12 6.62 -4.57 0.00 8.00 -0.29 -4.55 116.55 120.65 3i9k n ASP 52 Ca 0.13 -3.79 -0.24 0.00 0.71 0.00 0.00 54.79 51.60 3i9k n ASP 52 Cb 0.10 -0.89 -0.09 0.00 -0.02 0.00 0.00 41.12 40.23 3i9k n ASP 52 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i9k s LEU 53 N -3.93 2.95 0.00 0.64 1.43 -1.20 -4.84 118.68 113.73 3i9k s LEU 53 Ca 0.50 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3i9k s LEU 53 Cb 0.40 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 45.12 3i9k s LEU 53 CO -0.32 0.03 0.15 -0.90 0.23 0.00 0.00 176.35 175.54 3i9k n ASP 54 N -0.62 -0.42 0.17 2.29 5.68 -1.26 -3.26 116.55 119.13 3i9k n ASP 54 Ca -0.07 -1.70 0.13 0.00 -0.50 0.00 0.00 54.79 52.66 3i9k n ASP 54 Cb 0.59 0.81 0.54 0.00 -1.14 0.00 0.00 41.12 41.92 3i9k n ASP 54 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3i9k h LEU 55 N 0.00 0.00 0.00 -2.12 -0.00 -1.86 -1.84 115.31 109.50 3i9k h LEU 55 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 3i9k h LEU 55 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 3i9k h LEU 55 CO 0.13 0.00 -0.35 1.23 -0.00 0.00 0.00 178.44 179.45 3i9k h GLY 56 N 2.26 0.00 0.15 0.83 0.00 -1.94 -3.40 103.07 100.96 3i9k h GLY 56 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 3i9k h GLY 56 CO 0.00 0.00 -0.01 1.76 0.00 0.00 0.00 176.54 178.29 3i9k h SER 57 N 0.00 -0.23 -0.43 0.19 0.02 -1.66 -0.95 113.55 110.48 3i9k h SER 57 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3i9k h SER 57 Cb 0.93 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3i9k h SER 57 CO 0.00 -0.08 0.00 -1.22 -1.14 0.00 0.00 176.83 174.39 3i9k n TYR 58 N -5.24 1.09 -0.03 3.45 4.01 -1.26 -4.58 117.16 114.59 3i9k n TYR 58 Ca 0.06 -0.42 -0.08 0.00 -0.16 0.00 0.00 57.90 57.29 3i9k n TYR 58 Cb 0.27 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 3i9k n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3i9k h LYS 59 N 2.77 -0.15 -0.90 -0.72 3.64 -1.40 -1.00 116.57 118.81 3i9k h LYS 59 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3i9k h LYS 59 Cb 1.14 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 3i9k h LYS 59 CO 0.19 -0.10 0.53 -0.44 -2.27 0.00 0.00 179.45 177.36 3i9k h ASP 60 N -0.15 1.10 -0.12 4.20 3.32 -1.81 -1.52 116.42 121.43 3i9k h ASP 60 Ca 0.12 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.13 3i9k h ASP 60 Cb 0.33 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3i9k h ASP 60 CO -0.30 0.85 -0.10 0.15 -1.72 0.00 0.00 179.24 178.12 3i9k h PHE 61 N 1.25 -0.25 -0.34 4.55 3.57 -1.60 -1.45 116.94 122.67 3i9k h PHE 61 Ca 0.32 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.76 3i9k h PHE 61 Cb -0.03 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3i9k h PHE 61 CO 0.01 -0.15 -0.14 0.74 -2.23 0.00 0.00 178.31 176.53 3i9k h PHE 62 N -0.12 0.65 -0.08 0.41 0.04 -0.88 -0.95 116.94 116.00 3i9k h PHE 62 Ca 0.08 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 60.78 3i9k h PHE 62 Cb 0.23 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.17 3i9k h PHE 62 CO -0.22 0.71 -0.20 1.15 -0.60 0.00 0.00 178.31 179.15 3i9k h THR 63 N 0.54 0.51 -0.31 -1.55 2.02 -1.00 -1.02 112.91 112.11 3i9k h THR 63 Ca 0.09 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 3i9k h THR 63 Cb 0.56 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3i9k h THR 63 CO 0.04 0.00 -0.05 0.28 0.37 0.00 0.00 175.52 176.16 3i9k h SER 64 N -0.27 0.46 0.33 4.18 0.02 -0.69 -3.26 113.55 114.31 3i9k h SER 64 Ca 0.08 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3i9k h SER 64 Cb 0.40 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3i9k h SER 64 CO -0.24 0.56 -0.37 0.00 -1.14 0.00 0.00 176.83 175.64 3i9k n ALA 65 N -2.48 3.31 -2.55 3.77 0.00 -0.41 -4.61 120.51 117.54 3i9k n ALA 65 Ca 0.01 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 3i9k n ALA 65 Cb 0.27 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3i9k n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i9k s GLN 66 N -2.70 4.46 0.02 0.00 2.00 -0.43 -4.54 119.66 118.47 3i9k s GLN 66 Ca 0.19 1.60 -0.01 0.00 -2.00 0.00 0.00 55.36 55.13 3i9k s GLN 66 Cb 0.18 -3.44 -0.04 0.00 0.80 0.00 0.00 33.01 30.51 3i9k s GLN 66 CO 0.60 -0.23 0.18 -0.65 -0.50 0.00 0.00 175.29 174.69 3i9k s GLN 67 N 1.34 3.38 0.35 1.67 -0.21 -1.26 -4.98 119.66 119.96 3i9k s GLN 67 Ca 0.55 -0.40 -0.28 0.00 0.02 0.00 0.00 55.36 55.25 3i9k s GLN 67 Cb -0.25 -3.04 -0.11 0.00 1.00 0.00 0.00 33.01 30.62 3i9k s GLN 67 CO 0.26 0.64 1.43 -0.65 -2.12 0.00 0.00 175.29 174.86 3i9k s GLN 68 N -2.15 4.20 -0.11 2.91 -0.21 -1.26 -4.99 119.66 118.05 3i9k s GLN 68 Ca 0.30 2.45 -0.02 0.00 0.02 0.00 0.00 55.36 58.11 3i9k s GLN 68 Cb -0.13 -3.01 -0.03 0.00 1.00 0.00 0.00 33.01 30.84 3i9k s GLN 68 CO 0.22 -0.42 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.41 3i9k s LEU 69 N -1.83 3.28 0.25 2.90 1.43 -1.26 -4.49 118.68 118.96 3i9k s LEU 69 Ca 0.52 -0.03 -0.31 0.00 -1.03 0.00 0.00 54.13 53.28 3i9k s LEU 69 Cb -0.44 -1.75 -0.12 0.00 0.03 0.00 0.00 46.19 43.90 3i9k s LEU 69 CO 0.58 0.28 1.59 -0.81 0.23 0.00 0.00 176.35 178.23 3i9k n PRO 70 N 2.75 2.55 -1.68 1.29 -0.04 -1.26 -4.69 135.00 133.92 3i9k n PRO 70 Ca -0.18 0.91 -0.43 0.00 -0.04 0.00 0.00 63.50 63.76 3i9k n PRO 70 Cb 0.53 -2.69 -0.01 0.00 -0.04 0.00 0.00 33.50 31.29 3i9k n PRO 70 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i9k n LYS 71 N 2.72 2.05 -0.76 0.54 3.00 -1.26 -2.45 118.16 122.01 3i9k n LYS 71 Ca 0.12 0.72 0.00 0.00 -0.00 0.00 0.00 58.31 59.15 3i9k n LYS 71 Cb 0.34 -2.30 0.00 0.00 0.00 0.00 0.00 35.03 33.07 3i9k n LYS 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3i9k n ASN 72 N 1.09 -2.05 -0.30 3.14 3.02 0.43 -4.81 115.26 115.79 3i9k n ASN 72 Ca 0.06 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.66 3i9k n ASN 72 Cb 0.35 -2.31 0.03 0.00 -0.61 0.00 0.00 39.78 37.24 3i9k n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i9k n LYS 73 N -1.18 0.62 -2.13 3.52 5.02 -1.02 -4.68 118.16 118.31 3i9k n LYS 73 Ca 0.00 -0.90 -0.42 0.00 -2.02 0.00 0.00 58.31 54.97 3i9k n LYS 73 Cb 0.15 -1.13 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 3i9k n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9k s VAL 74 N -0.80 3.45 -0.00 -0.18 1.01 -1.26 -0.46 120.40 122.16 3i9k s VAL 74 Ca 0.09 0.89 0.08 0.00 0.00 0.00 0.00 61.98 63.04 3i9k s VAL 74 Cb 0.07 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3i9k s VAL 74 CO 0.13 0.01 -0.24 -0.32 0.00 0.00 0.00 175.10 174.67 3i9k s MET 75 N 2.26 1.90 0.14 2.72 0.00 0.38 -1.45 119.30 125.26 3i9k s MET 75 Ca 0.67 -0.92 0.09 0.00 0.00 0.00 0.00 55.69 55.53 3i9k s MET 75 Cb -0.35 -1.89 -0.04 0.00 0.00 0.00 0.00 34.83 32.55 3i9k s MET 75 CO 0.29 0.51 -0.14 -0.06 0.00 0.00 0.00 175.02 175.62 3i9k s PHE 76 N -0.63 2.59 0.02 4.11 0.08 0.20 -4.38 117.98 119.96 3i9k s PHE 76 Ca 0.10 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 56.87 3i9k s PHE 76 Cb -0.09 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3i9k s PHE 76 CO -0.00 0.45 0.05 1.67 -0.10 0.00 0.00 175.22 177.29 3i9k s TRP 77 N -1.40 0.19 -0.13 0.36 1.48 -1.26 -0.52 118.94 117.67 3i9k s TRP 77 Ca 0.21 -0.43 -0.05 0.00 -1.06 0.00 0.00 56.10 54.76 3i9k s TRP 77 Cb -0.10 -0.15 0.06 0.00 -1.16 0.00 0.00 33.47 32.13 3i9k s TRP 77 CO 0.13 -0.27 0.29 -1.12 -4.06 0.00 0.00 176.95 171.91 3i9k s SER 78 N -1.68 0.05 -0.07 -2.66 0.01 -0.28 -4.86 113.70 104.21 3i9k s SER 78 Ca -0.12 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.79 3i9k s SER 78 Cb -0.06 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.87 3i9k s SER 78 CO -0.02 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.03 3i9k n GLY 79 N 4.97 0.31 2.70 3.44 0.00 -1.26 -3.22 105.19 112.13 3i9k n GLY 79 Ca -0.13 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 3i9k n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9k n VAL 80 N -2.51 1.25 -0.05 1.61 0.24 -1.26 -4.73 118.33 112.88 3i9k n VAL 80 Ca -0.01 -3.13 -0.08 0.00 -2.04 0.00 0.00 64.34 59.08 3i9k n VAL 80 Cb 0.26 0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 33.40 3i9k n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3i9k h TYR 81 N 2.77 -0.43 -0.20 6.34 5.03 -1.96 -0.14 116.97 128.39 3i9k h TYR 81 Ca -0.08 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.22 3i9k h TYR 81 Cb 1.22 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 39.72 3i9k h TYR 81 CO 0.53 -0.24 -0.02 -0.44 -1.32 0.00 0.00 178.16 176.66 3i9k h ASP 82 N -0.17 0.36 -0.44 -2.11 3.32 -1.99 -1.25 116.42 114.15 3i9k h ASP 82 Ca 0.13 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 3i9k h ASP 82 Cb 0.36 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3i9k h ASP 82 CO -0.33 0.61 0.21 -0.33 -1.72 0.00 0.00 179.24 177.68 3i9k h GLU 83 N 0.10 0.63 -0.73 3.56 3.07 -1.93 0.22 114.58 119.50 3i9k h GLU 83 Ca 0.05 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 3i9k h GLU 83 Cb 0.44 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 3i9k h GLU 83 CO 0.01 0.54 0.29 0.00 -1.40 0.00 0.00 179.01 178.45 3i9k h ALA 84 N 1.05 0.95 -0.00 3.43 0.00 -0.92 -0.83 119.26 122.94 3i9k h ALA 84 Ca 0.15 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3i9k h ALA 84 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3i9k h ALA 84 CO -0.02 0.57 -0.89 0.45 0.00 0.00 0.00 179.25 179.36 3i9k h HIS 85 N 1.05 0.43 -0.27 0.00 3.86 -0.99 -0.08 115.15 119.14 3i9k h HIS 85 Ca 0.24 -0.23 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 3i9k h HIS 85 Cb 0.22 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3i9k h HIS 85 CO 0.02 1.04 0.01 -0.44 0.86 0.00 0.00 177.93 179.41 3i9k h ASP 86 N 0.16 0.47 -0.14 2.45 3.32 -0.89 -0.51 116.42 121.28 3i9k h ASP 86 Ca -0.06 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.61 3i9k h ASP 86 Cb 1.52 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.93 3i9k h ASP 86 CO 0.14 0.65 -0.17 0.22 -1.72 0.00 0.00 179.24 178.37 3i9k h TYR 87 N 0.27 0.59 -0.07 4.55 3.20 -1.05 -2.71 116.97 121.74 3i9k h TYR 87 Ca 0.08 -0.11 -0.18 0.00 3.14 0.00 0.00 58.73 61.67 3i9k h TYR 87 Cb 0.41 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3i9k h TYR 87 CO 0.03 0.68 -0.71 0.00 -1.64 0.00 0.00 178.16 176.53 3i9k h ALA 88 N 1.33 0.65 -3.73 1.82 0.00 -0.89 -3.43 119.26 115.01 3i9k h ALA 88 Ca 0.08 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 3i9k h ALA 88 Cb 0.58 -0.07 0.08 0.00 0.00 0.00 0.00 17.79 18.37 3i9k h ALA 88 CO 0.04 0.77 -0.34 -1.71 0.00 0.00 0.00 179.25 178.00 3i9k n ASN 89 N -3.83 -2.80 -4.23 0.00 4.05 -0.21 -1.48 115.26 106.75 3i9k n ASN 89 Ca -0.04 -0.28 -0.30 0.00 0.45 0.00 0.00 54.58 54.42 3i9k n ASN 89 Cb 0.69 -2.46 -0.08 0.00 1.23 0.00 0.00 39.78 39.17 3i9k n ASN 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 3i9k n THR 90 N -2.28 -1.50 0.00 -0.44 -1.04 -1.26 -1.00 114.28 106.77 3i9k n THR 90 Ca -0.08 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 3i9k n THR 90 Cb 0.56 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 3i9k n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9k n GLY 91 N -2.33 2.02 0.20 3.41 0.00 -1.06 -4.91 105.19 102.51 3i9k n GLY 91 Ca -0.29 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 3i9k n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i9k h ARG 92 N 2.76 0.64 0.01 1.61 3.08 -1.08 -3.39 114.38 118.00 3i9k h ARG 92 Ca 0.00 -0.42 -0.40 0.00 0.07 0.00 0.00 59.98 59.24 3i9k h ARG 92 Cb 0.00 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 3i9k h ARG 92 CO 0.00 1.04 -2.19 1.17 -1.07 0.00 0.00 179.97 178.91 3i9k n LYS 93 N -4.22 0.60 -4.24 0.04 4.81 -0.55 -5.01 118.16 109.59 3i9k n LYS 93 Ca -0.06 0.33 -0.14 0.00 -0.87 0.00 0.00 58.31 57.58 3i9k n LYS 93 Cb 0.55 -1.57 -0.10 0.00 0.02 0.00 0.00 35.03 33.93 3i9k n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3i9k s TYR 94 N -2.48 1.21 -0.08 5.64 2.02 -0.88 -4.87 117.35 117.93 3i9k s TYR 94 Ca -0.35 -0.80 -0.18 0.00 -0.37 0.00 0.00 57.07 55.36 3i9k s TYR 94 Cb 0.12 -0.63 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 3i9k s TYR 94 CO 0.54 0.03 0.50 0.42 -1.57 0.00 0.00 175.55 175.47 3i9k s ILE 95 N -3.39 5.10 0.40 2.71 -1.09 0.39 -2.58 121.20 122.75 3i9k s ILE 95 Ca 0.17 1.01 0.08 0.00 -2.23 0.00 0.00 60.65 59.68 3i9k s ILE 95 Cb 0.03 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 3i9k s ILE 95 CO 0.00 0.38 0.21 0.42 -1.23 0.00 0.00 174.94 174.71 3i9k s THR 96 N 0.23 2.46 0.40 2.92 -4.23 -1.26 -0.47 115.64 115.69 3i9k s THR 96 Ca 0.27 -1.64 0.09 0.00 -1.18 0.00 0.00 61.69 59.23 3i9k s THR 96 Cb -0.16 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 70.99 3i9k s THR 96 CO 0.12 -0.03 1.99 0.25 -0.54 0.00 0.00 174.62 176.42 3i9k h LEU 97 N 1.38 0.49 -0.05 4.79 5.85 -1.98 -0.68 115.31 125.12 3i9k h LEU 97 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3i9k h LEU 97 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3i9k h LEU 97 CO 0.67 0.32 0.00 -0.62 -0.34 0.00 0.00 178.44 178.47 3i9k n GLU 98 N -4.48 0.01 0.01 1.25 4.71 -1.26 -1.93 120.64 118.96 3i9k n GLU 98 Ca 0.08 0.29 0.12 0.00 -0.01 0.00 0.00 57.16 57.64 3i9k n GLU 98 Cb 0.24 -1.52 0.16 0.00 -1.01 0.00 0.00 31.44 29.30 3i9k n GLU 98 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3i9k n ASP 99 N -1.55 0.60 -4.88 1.62 8.00 -0.26 -3.24 116.55 116.84 3i9k n ASP 99 Ca 0.03 -0.27 -0.30 0.00 0.71 0.00 0.00 54.79 54.97 3i9k n ASP 99 Cb 0.15 0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.69 3i9k n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i9k s THR 100 N -3.06 4.32 0.12 -3.53 -4.23 -0.81 -4.81 115.64 103.63 3i9k s THR 100 Ca 0.09 0.57 -0.28 0.00 -1.18 0.00 0.00 61.69 60.89 3i9k s THR 100 Cb 0.16 -3.72 -0.08 0.00 1.34 0.00 0.00 72.50 70.20 3i9k s THR 100 CO 0.74 -0.89 1.62 0.25 -0.54 0.00 0.00 174.62 175.79 3i9k h LEU 101 N -0.30 -0.93 -1.17 4.79 5.85 -1.86 0.14 115.31 121.84 3i9k h LEU 101 Ca -0.45 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 3i9k h LEU 101 Cb 1.22 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 3i9k h LEU 101 CO 0.62 -0.40 -0.29 1.55 -0.34 0.00 0.00 178.44 179.58 3i9k h PRO 102 N -0.53 0.20 -0.08 5.25 0.13 -1.89 -0.54 132.00 134.55 3i9k h PRO 102 Ca 0.04 -0.07 -0.21 0.00 -0.87 0.00 0.00 66.00 64.88 3i9k h PRO 102 Cb 0.57 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3i9k h PRO 102 CO -0.21 0.49 -0.82 0.78 -0.23 0.00 0.00 178.00 178.01 3i9k h GLY 103 N 1.02 0.62 0.79 1.56 0.00 -1.56 -2.22 103.07 103.28 3i9k h GLY 103 Ca 0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 47.33 46.39 3i9k h GLY 103 CO 0.04 0.83 -0.03 -1.82 0.00 0.00 0.00 176.54 175.56 3i9k h TYR 104 N 0.36 0.37 -0.66 5.60 5.03 -0.54 -0.41 116.97 126.73 3i9k h TYR 104 Ca -0.06 -0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.15 3i9k h TYR 104 Cb 1.43 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 39.59 3i9k h TYR 104 CO 0.07 0.58 0.31 0.52 -1.32 0.00 0.00 178.16 178.31 3i9k h MET 105 N 0.06 0.95 -0.03 1.82 2.86 -0.96 -3.26 114.93 116.38 3i9k h MET 105 Ca 0.05 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3i9k h MET 105 Cb 0.45 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3i9k h MET 105 CO 0.01 0.76 -0.07 1.28 1.06 0.00 0.00 176.91 179.96 3i9k n LEU 106 N -4.46 2.77 -4.65 1.22 7.99 -0.85 -4.79 117.00 114.23 3i9k n LEU 106 Ca 0.05 -0.97 -0.47 0.00 -0.01 0.00 0.00 56.01 54.61 3i9k n LEU 106 Cb 0.13 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.40 3i9k n LEU 106 CO 0.38 0.47 1.11 -3.20 -1.51 0.00 0.00 177.39 174.64 3i9k n ASN 107 N 1.09 2.75 0.00 -1.43 5.15 -0.17 -0.94 115.26 121.72 3i9k n ASN 107 Ca 0.13 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.21 3i9k n ASN 107 Cb 0.55 -1.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 3i9k n ASN 107 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3i9k n SER 108 N 3.05 0.00 -4.92 1.20 7.64 -1.26 -5.00 113.62 114.33 3i9k n SER 108 Ca 0.16 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.78 3i9k n SER 108 Cb 0.27 -1.11 0.02 0.00 -1.01 0.00 0.00 64.21 62.38 3i9k n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i9k s LEU 109 N 0.00 3.43 -0.06 -3.43 1.43 -0.12 -5.02 118.68 114.91 3i9k s LEU 109 Ca 0.00 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 3i9k s LEU 109 Cb 0.00 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.64 3i9k s LEU 109 CO 0.00 -0.84 -0.05 -0.69 0.23 0.00 0.00 176.35 175.00 3i9k s VAL 110 N -2.84 0.66 0.15 -1.59 1.01 -1.26 -4.99 120.40 111.54 3i9k s VAL 110 Ca 0.51 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 3i9k s VAL 110 Cb -0.10 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.60 3i9k s VAL 110 CO 0.44 0.27 0.37 -1.66 0.00 0.00 0.00 175.10 174.53 3i9k s TRP 111 N 1.21 0.04 -0.10 5.22 -2.14 -1.26 -0.54 118.94 121.37 3i9k s TRP 111 Ca -0.06 -0.39 -0.20 0.00 2.66 0.00 0.00 56.10 58.11 3i9k s TRP 111 Cb -0.14 0.17 0.05 0.00 -3.10 0.00 0.00 33.47 30.45 3i9k s TRP 111 CO -0.02 -0.75 0.49 0.00 -2.66 0.00 0.00 176.95 174.02 3i9k s GLY 113 N -0.58 1.67 0.18 0.00 0.00 -1.26 -1.23 107.32 106.11 3i9k s GLY 113 Ca -0.07 0.15 -0.08 0.00 0.00 0.00 0.00 44.72 44.72 3i9k s GLY 113 CO 0.04 0.47 0.28 -0.86 0.00 0.00 0.00 173.10 173.04 3i9k s GLN 114 N -5.00 1.21 0.00 2.90 -2.07 -0.52 -4.06 119.66 112.13 3i9k s GLN 114 Ca 0.59 -1.26 -0.00 0.00 -1.82 0.00 0.00 55.36 52.87 3i9k s GLN 114 Cb -0.15 0.37 -0.26 0.00 -1.09 0.00 0.00 33.01 31.88 3i9k s GLN 114 CO 0.55 -0.45 0.85 0.00 -1.32 0.00 0.00 175.29 174.93 3i9k h ARG 115 N 2.52 0.20 -7.44 9.60 3.08 -1.85 -2.43 114.38 118.07 3i9k h ARG 115 Ca -0.31 -0.33 -0.50 0.00 0.07 0.00 0.00 59.98 58.91 3i9k h ARG 115 Cb 1.23 0.12 0.08 0.00 0.08 0.00 0.00 29.97 31.49 3i9k h ARG 115 CO 0.47 1.03 0.40 0.00 -1.07 0.00 0.00 179.97 180.81 3i9k s ALA 116 N -2.62 2.83 0.40 0.04 0.00 -1.26 -4.70 121.76 116.45 3i9k s ALA 116 Ca -0.08 -0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.38 3i9k s ALA 116 Cb 0.07 -3.06 -0.11 0.00 0.00 0.00 0.00 23.12 20.03 3i9k s ALA 116 CO 0.84 -1.14 1.05 0.09 0.00 0.00 0.00 175.76 176.60 3i9k n ASN 117 N -3.02 1.46 -1.58 0.00 3.02 -1.26 0.12 115.26 114.00 3i9k n ASN 117 Ca 0.07 1.07 -0.10 0.00 -0.03 0.00 0.00 54.58 55.59 3i9k n ASN 117 Cb 0.56 -1.37 0.11 0.00 -0.61 0.00 0.00 39.78 38.48 3i9k n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3i9k n PRO 118 N 0.23 1.86 -0.62 3.52 -0.04 -1.26 -4.85 135.00 133.84 3i9k n PRO 118 Ca 0.09 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 3i9k n PRO 118 Cb 0.38 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 3i9k n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9k n GLY 119 N -0.26 1.31 3.22 0.55 0.00 0.32 -4.84 105.19 105.50 3i9k n GLY 119 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 3i9k n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i9k s PHE 120 N -3.45 0.21 -0.30 1.61 -0.71 -1.26 -0.91 117.98 113.17 3i9k s PHE 120 Ca 0.00 -0.63 -0.08 0.00 -1.04 0.00 0.00 56.93 55.18 3i9k s PHE 120 Cb 0.00 -0.07 -0.00 0.00 -1.21 0.00 0.00 43.02 41.74 3i9k s PHE 120 CO 0.00 -0.57 0.11 1.21 -1.34 0.00 0.00 175.22 174.63 3i9k s ASN 121 N -2.88 5.29 0.00 1.98 3.84 -0.36 -4.72 114.94 118.08 3i9k s ASN 121 Ca 0.07 -0.58 0.27 0.00 0.21 0.00 0.00 52.86 52.83 3i9k s ASN 121 Cb 0.05 -1.93 0.82 0.00 -0.55 0.00 0.00 41.25 39.64 3i9k s ASN 121 CO -0.09 -0.18 1.61 -0.62 -2.79 0.00 0.00 177.10 175.03 3i9k n GLU 122 N 4.92 1.49 0.00 0.43 1.02 -1.26 -4.32 120.64 122.92 3i9k n GLU 122 Ca -0.14 -0.95 0.00 0.00 -0.02 0.00 0.00 57.16 56.05 3i9k n GLU 122 Cb 0.49 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3i9k n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i9k n LYS 123 N 0.07 2.58 -3.69 3.49 4.76 -1.26 -4.70 118.16 119.42 3i9k n LYS 123 Ca 0.16 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.47 3i9k n LYS 123 Cb 0.39 -0.87 -0.09 0.00 -1.84 0.00 0.00 35.03 32.61 3i9k n LYS 123 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i9k s VAL 124 N -1.75 0.00 0.20 -0.18 0.11 -1.26 -4.43 120.40 113.10 3i9k s VAL 124 Ca 0.00 -0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 3i9k s VAL 124 Cb 0.00 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 3i9k s VAL 124 CO 0.00 -0.00 -0.16 0.00 -3.33 0.00 0.00 175.10 171.61 3i9k s PRO 126 N -3.44 4.21 0.35 0.00 0.02 -1.26 -0.95 135.00 133.94 3i9k s PRO 126 Ca 0.22 0.90 -0.28 0.00 0.02 0.00 0.00 61.00 61.85 3i9k s PRO 126 Cb -0.02 -2.64 -0.12 0.00 0.02 0.00 0.00 34.50 31.74 3i9k s PRO 126 CO 0.08 0.25 1.38 -3.47 -0.33 0.00 0.00 177.00 174.91 3i9k n ASP 127 N 0.18 3.21 0.19 2.53 -0.08 -1.26 -4.67 116.55 116.65 3i9k n ASP 127 Ca 0.01 1.21 0.13 0.00 -1.51 0.00 0.00 54.79 54.63 3i9k n ASP 127 Cb 0.52 -1.54 0.29 0.00 2.34 0.00 0.00 41.12 42.73 3i9k n ASP 127 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3i9k h PHE 128 N 2.80 0.00 -0.52 -0.67 -1.00 -1.96 -2.92 116.94 112.67 3i9k h PHE 128 Ca -0.48 0.00 0.15 0.00 2.81 0.00 0.00 57.97 60.45 3i9k h PHE 128 Cb 1.26 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.80 3i9k h PHE 128 CO 0.52 0.00 0.68 1.57 -1.61 0.00 0.00 178.31 179.47 3i9k h LYS 129 N 0.00 0.00 0.00 1.51 2.10 -1.98 0.52 116.57 118.72 3i9k h LYS 129 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i9k h LYS 129 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 3i9k h LYS 129 CO 0.00 0.00 0.00 1.79 -2.00 0.00 0.00 179.45 179.24 3i9k h THR 130 N 0.00 0.00 -1.64 0.07 1.35 -1.88 -3.46 112.91 107.34 3i9k h THR 130 Ca 0.25 -0.59 -0.46 0.00 -0.55 0.00 0.00 66.41 65.06 3i9k h THR 130 Cb 1.62 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.56 3i9k h THR 130 CO -0.00 0.00 -0.35 0.00 -0.25 0.00 0.00 175.52 174.92 3i9k s PRO 132 N -4.18 3.26 0.26 0.00 0.02 -1.26 -4.71 135.00 128.39 3i9k s PRO 132 Ca 0.48 2.06 -0.04 0.00 0.02 0.00 0.00 61.00 63.52 3i9k s PRO 132 Cb -0.08 -2.24 0.53 0.00 0.02 0.00 0.00 34.50 32.74 3i9k s PRO 132 CO 0.30 -1.04 1.64 -0.24 -0.33 0.00 0.00 177.00 177.33 3i9k h VAL 133 N 1.46 0.32 0.00 3.83 3.04 -1.96 0.23 116.25 123.16 3i9k h VAL 133 Ca -0.50 -0.05 -0.03 0.00 -1.01 0.00 0.00 66.70 65.11 3i9k h VAL 133 Cb 1.29 0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 3i9k h VAL 133 CO 0.58 0.02 -0.16 0.06 -1.01 0.00 0.00 177.57 177.06 3i9k h GLN 134 N 0.14 0.00 0.16 4.17 -0.00 -1.91 0.37 115.11 118.03 3i9k h GLN 134 Ca 0.46 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.87 3i9k h GLN 134 Cb 0.86 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.36 3i9k h GLN 134 CO -0.67 0.16 -1.14 0.00 -0.00 0.00 0.00 178.83 177.17 3i9k h ALA 135 N 1.84 -0.03 -0.61 0.06 0.00 -1.03 -2.77 119.26 116.72 3i9k h ALA 135 Ca -0.00 -0.85 0.06 0.00 0.00 0.00 0.00 54.91 54.12 3i9k h ALA 135 Cb 0.40 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3i9k h ALA 135 CO 0.02 0.58 0.40 0.00 0.00 0.00 0.00 179.25 180.25 3i9k h ARG 136 N -0.23 0.60 -0.58 0.00 3.08 -0.15 -2.29 114.38 114.81 3i9k h ARG 136 Ca -0.22 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3i9k h ARG 136 Cb 1.80 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.72 3i9k h ARG 136 CO 0.16 0.39 0.00 0.39 -1.07 0.00 0.00 179.97 179.84 3i9k n GLU 137 N -4.47 2.56 -0.29 0.04 1.02 0.08 -4.63 120.64 114.94 3i9k n GLU 137 Ca 0.08 -2.40 -0.05 0.00 -0.02 0.00 0.00 57.16 54.78 3i9k n GLU 137 Cb 0.22 -1.53 0.07 0.00 -0.02 0.00 0.00 31.44 30.18 3i9k n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i9k h SER 138 N 4.17 0.95 0.09 1.62 0.87 -1.10 -0.61 113.55 119.54 3i9k h SER 138 Ca 0.00 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3i9k h SER 138 Cb 0.94 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 3i9k h SER 138 CO 0.00 0.73 -0.04 0.15 -0.53 0.00 0.00 176.83 177.14 3i9k h PHE 139 N 1.08 -0.11 0.00 2.24 3.57 -1.82 -2.84 116.94 119.06 3i9k h PHE 139 Ca 0.28 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 3i9k h PHE 139 Cb -0.04 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3i9k h PHE 139 CO -0.01 0.12 -0.40 -1.49 -2.23 0.00 0.00 178.31 174.31 3i9k h TRP 140 N -1.01 0.00 0.14 0.41 4.06 -1.87 -0.35 115.95 117.33 3i9k h TRP 140 Ca -0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 3i9k h TRP 140 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 3i9k h TRP 140 CO 0.05 0.40 -0.07 0.78 -3.56 0.00 0.00 178.44 176.04 3i9k h GLY 141 N 1.94 -0.20 1.36 1.49 0.00 -1.27 0.54 103.07 106.93 3i9k h GLY 141 Ca -0.00 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 3i9k h GLY 141 CO 0.05 -0.07 0.38 1.98 0.00 0.00 0.00 176.54 178.88 3i9k h MET 142 N -0.59 0.85 -0.24 4.80 1.85 -1.34 -0.19 114.93 120.06 3i9k h MET 142 Ca -0.02 -0.07 0.04 0.00 -0.61 0.00 0.00 59.70 59.04 3i9k h MET 142 Cb 0.46 -0.18 -0.04 0.00 0.43 0.00 0.00 31.60 32.27 3i9k h MET 142 CO 0.03 0.60 0.01 0.00 -0.40 0.00 0.00 176.91 177.15 3i9k h ALA 143 N 1.55 0.22 -0.50 0.39 0.00 -0.93 0.74 119.26 120.74 3i9k h ALA 143 Ca 0.23 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 3i9k h ALA 143 Cb -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3i9k h ALA 143 CO -0.04 -0.41 -0.18 0.77 0.00 0.00 0.00 179.25 179.38 3i9k h SER 144 N 0.09 1.01 -0.40 0.00 0.02 -0.57 -1.35 113.55 112.34 3i9k h SER 144 Ca 0.11 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3i9k h SER 144 Cb 0.14 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3i9k h SER 144 CO -0.18 1.16 0.13 0.28 -1.14 0.00 0.00 176.83 177.07 3i9k h SER 145 N 0.87 0.58 -0.53 3.07 0.02 -0.69 0.13 113.55 116.99 3i9k h SER 145 Ca 0.12 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 3i9k h SER 145 Cb 0.75 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3i9k h SER 145 CO 0.06 0.63 0.19 -1.28 -1.14 0.00 0.00 176.83 175.29 3i9k h SER 146 N 0.50 0.75 0.34 3.07 0.87 -0.72 -0.89 113.55 117.46 3i9k h SER 146 Ca 0.13 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 3i9k h SER 146 Cb 0.25 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3i9k h SER 146 CO -0.00 0.73 -0.16 0.22 -0.53 0.00 0.00 176.83 177.08 3i9k h TYR 147 N 0.72 -0.42 -0.69 2.24 3.20 -1.14 -2.62 116.97 118.26 3i9k h TYR 147 Ca 0.17 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.18 3i9k h TYR 147 Cb 0.23 0.14 -0.11 0.00 1.54 0.00 0.00 36.73 38.53 3i9k h TYR 147 CO 0.01 -0.16 0.12 0.00 -1.64 0.00 0.00 178.16 176.49 3i9k h ALA 148 N -0.03 0.82 -0.21 1.82 0.00 -0.67 -0.81 119.26 120.19 3i9k h ALA 148 Ca -0.05 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3i9k h ALA 148 Cb 0.45 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3i9k h ALA 148 CO 0.08 -0.35 0.17 1.25 0.00 0.00 0.00 179.25 180.39 3i9k h HIS 149 N 0.22 0.00 -0.00 0.00 -0.00 -0.88 -2.23 115.15 112.26 3i9k h HIS 149 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.75 3i9k h HIS 149 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 3i9k h HIS 149 CO -0.29 0.00 -0.48 0.43 -0.00 0.00 0.00 177.93 177.58 3i9k n SER 150 N -4.25 0.73 -4.77 3.26 7.64 -0.34 -4.74 113.62 111.16 3i9k n SER 150 Ca 0.02 -0.53 -0.40 0.00 1.01 0.00 0.00 58.87 58.97 3i9k n SER 150 Cb 0.31 0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 3i9k n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i9k s ALA 151 N -2.85 3.37 0.02 -0.43 0.00 -0.84 -4.32 121.76 116.71 3i9k s ALA 151 Ca 0.14 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3i9k s ALA 151 Cb 0.18 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3i9k s ALA 151 CO 0.66 -0.58 -0.04 -1.21 0.00 0.00 0.00 175.76 174.60 3i9k s GLU 152 N -1.93 0.31 3.42 0.00 2.02 -1.26 -4.28 118.70 116.99 3i9k s GLU 152 Ca 0.51 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.97 3i9k s GLU 152 Cb -0.36 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 33.86 3i9k s GLU 152 CO 0.47 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.15 3i9k n GLY 153 N 1.84 -0.06 3.73 -1.39 0.00 0.06 -0.42 105.19 108.94 3i9k n GLY 153 Ca -0.22 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 3i9k n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9k s GLU 154 N 0.00 4.70 0.10 1.61 2.02 -1.26 -1.54 118.70 124.33 3i9k s GLU 154 Ca 0.00 1.47 0.06 0.00 0.02 0.00 0.00 54.97 56.52 3i9k s GLU 154 Cb 0.00 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 3i9k s GLU 154 CO 0.00 0.23 -0.03 0.14 0.02 0.00 0.00 175.26 175.62 3i9k s VAL 155 N -0.09 3.82 0.05 2.63 -7.23 0.13 -3.84 120.40 115.86 3i9k s VAL 155 Ca 0.47 -1.11 0.08 0.00 -1.81 0.00 0.00 61.98 59.61 3i9k s VAL 155 Cb -0.24 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 3i9k s VAL 155 CO 0.30 0.09 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.10 3i9k s THR 156 N -1.33 2.69 -0.08 5.32 2.01 -0.53 -0.34 115.64 123.38 3i9k s THR 156 Ca 0.25 -1.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.00 3i9k s THR 156 Cb -0.11 -2.13 0.03 0.00 0.01 0.00 0.00 72.50 70.30 3i9k s THR 156 CO 0.17 0.33 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.94 3i9k s TYR 157 N -0.92 0.86 -0.19 4.92 5.04 0.84 -0.63 117.35 127.27 3i9k s TYR 157 Ca 0.14 -0.30 -0.08 0.00 -2.44 0.00 0.00 57.07 54.40 3i9k s TYR 157 Cb -0.10 -0.88 -0.04 0.00 0.35 0.00 0.00 41.96 41.29 3i9k s TYR 157 CO 0.05 -0.35 0.08 1.41 -1.34 0.00 0.00 175.55 175.40 3i9k s MET 158 N 1.77 3.99 0.12 4.97 -2.45 0.32 -0.37 119.30 127.64 3i9k s MET 158 Ca 0.03 -0.33 0.04 0.00 -1.25 0.00 0.00 55.69 54.17 3i9k s MET 158 Cb -0.13 -3.26 -0.04 0.00 1.25 0.00 0.00 34.83 32.65 3i9k s MET 158 CO -0.05 0.24 -0.10 0.14 1.05 0.00 0.00 175.02 176.30 3i9k s VAL 159 N 0.48 1.01 -0.18 10.11 -7.23 0.42 -1.13 120.40 123.89 3i9k s VAL 159 Ca 0.04 -1.85 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 3i9k s VAL 159 Cb -0.12 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 3i9k s VAL 159 CO 0.00 -0.67 0.80 -0.62 -0.31 0.00 0.00 175.10 174.31 3i9k s ASP 160 N -2.81 6.91 -0.08 4.85 -1.08 -1.20 -0.28 116.67 122.98 3i9k s ASP 160 Ca 0.11 1.12 0.16 0.00 -0.52 0.00 0.00 52.55 53.42 3i9k s ASP 160 Cb 0.00 -2.44 0.56 0.00 -1.46 0.00 0.00 42.92 39.58 3i9k s ASP 160 CO -0.00 -0.39 1.48 0.61 0.52 0.00 0.00 175.17 177.38 3i9k n GLY 161 N 3.53 2.99 0.26 2.66 0.00 0.87 -4.08 105.19 111.41 3i9k n GLY 161 Ca 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.32 3i9k n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i9k n SER 162 N 0.68 0.41 -4.41 1.61 7.64 -1.25 -0.81 113.62 117.49 3i9k n SER 162 Ca 0.21 -1.81 -0.42 0.00 1.01 0.00 0.00 58.87 57.86 3i9k n SER 162 Cb 0.74 -0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.69 3i9k n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3i9k s ASN 163 N -0.89 5.95 0.34 6.43 3.84 -1.26 -4.77 114.94 124.57 3i9k s ASN 163 Ca 0.04 -1.03 0.25 0.00 0.21 0.00 0.00 52.86 52.33 3i9k s ASN 163 Cb 0.03 -2.10 1.17 0.00 -0.55 0.00 0.00 41.25 39.80 3i9k s ASN 163 CO 0.00 -0.46 1.77 1.55 -2.79 0.00 0.00 177.10 177.18 3i9k h PRO 164 N 8.56 0.00 0.00 0.43 0.13 -1.94 -3.03 132.00 136.16 3i9k h PRO 164 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3i9k h PRO 164 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3i9k h PRO 164 CO 0.73 0.00 -1.03 1.63 -0.23 0.00 0.00 178.00 179.09 3i9k n LYS 165 N -2.40 0.87 -3.63 0.86 5.02 -1.26 -4.88 118.16 112.74 3i9k n LYS 165 Ca 0.01 -0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 55.99 3i9k n LYS 165 Cb 0.17 -1.38 -0.16 0.00 -0.02 0.00 0.00 35.03 33.64 3i9k n LYS 165 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9k s VAL 166 N -2.83 0.18 0.68 -0.18 1.01 -1.14 -5.13 120.40 112.98 3i9k s VAL 166 Ca 0.05 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3i9k s VAL 166 Cb 0.14 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.57 3i9k s VAL 166 CO 0.76 -0.47 1.27 -2.84 0.00 0.00 0.00 175.10 173.83 3i9k s PRO 167 N 2.00 2.35 0.21 2.72 0.02 -1.26 -4.65 135.00 136.39 3i9k s PRO 167 Ca 0.05 2.00 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 3i9k s PRO 167 Cb -0.16 -1.83 0.27 0.00 0.02 0.00 0.00 34.50 32.80 3i9k s PRO 167 CO -0.20 -1.73 1.73 0.00 -0.33 0.00 0.00 177.00 176.47 3i9k h ALA 168 N 0.23 0.74 -3.19 -1.55 0.00 -1.90 -3.38 119.26 110.22 3i9k h ALA 168 Ca -0.50 0.09 -0.67 0.00 0.00 0.00 0.00 54.91 53.83 3i9k h ALA 168 Cb 1.33 0.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.86 3i9k h ALA 168 CO 0.52 -0.23 -0.87 -0.47 0.00 0.00 0.00 179.25 178.20 3i9k s TYR 169 N -6.10 2.65 -0.08 0.00 5.04 -1.26 -4.67 117.35 112.93 3i9k s TYR 169 Ca -0.13 -1.36 0.04 0.00 -2.44 0.00 0.00 57.07 53.18 3i9k s TYR 169 Cb 0.17 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.67 3i9k s TYR 169 CO 0.74 -0.63 -0.20 1.03 -1.34 0.00 0.00 175.55 175.15 3i9k s ARG 170 N 0.87 2.47 0.56 4.97 0.52 -1.26 -4.82 118.95 122.27 3i9k s ARG 170 Ca -0.06 -0.73 0.27 0.00 -0.52 0.00 0.00 55.73 54.69 3i9k s ARG 170 Cb -0.15 -1.95 1.48 0.00 0.52 0.00 0.00 34.95 34.84 3i9k s ARG 170 CO -0.03 0.17 2.01 -1.35 0.02 0.00 0.00 175.30 176.12 3i9k h PRO 171 N 6.64 0.00 -0.70 3.54 0.11 -1.99 -2.75 132.00 136.85 3i9k h PRO 171 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3i9k h PRO 171 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i9k h PRO 171 CO 0.47 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.86 3i9k n ASP 172 N -4.10 3.99 -4.49 -2.05 3.85 -1.26 -3.25 116.55 109.23 3i9k n ASP 172 Ca 0.07 -2.05 -0.29 0.00 -0.71 0.00 0.00 54.79 51.81 3i9k n ASP 172 Cb 0.54 -0.48 0.16 0.00 -1.35 0.00 0.00 41.12 39.99 3i9k n ASP 172 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3i9k s SER 173 N -0.99 2.93 0.19 -1.12 1.04 -1.03 -4.78 113.70 109.93 3i9k s SER 173 Ca 0.48 0.79 -0.11 0.00 0.48 0.00 0.00 55.95 57.59 3i9k s SER 173 Cb 0.26 -1.22 0.11 0.00 0.10 0.00 0.00 66.02 65.27 3i9k s SER 173 CO 0.31 -2.89 1.78 -0.26 0.98 0.00 0.00 173.24 173.16 3i9k h PHE 174 N -1.74 0.96 -0.72 5.02 -1.00 -1.91 0.97 116.94 118.52 3i9k h PHE 174 Ca -0.49 -0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.20 3i9k h PHE 174 Cb 1.31 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 40.54 3i9k h PHE 174 CO -0.40 0.71 0.24 0.35 -1.61 0.00 0.00 178.31 177.60 3i9k h PHE 175 N 0.93 1.15 -0.86 -0.55 3.57 -1.90 0.30 116.94 119.58 3i9k h PHE 175 Ca 0.23 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3i9k h PHE 175 Cb 0.10 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 3i9k h PHE 175 CO 0.00 0.91 0.43 0.78 -2.23 0.00 0.00 178.31 178.20 3i9k h GLY 176 N 1.06 1.32 0.13 2.40 0.00 -1.48 0.31 103.07 106.80 3i9k h GLY 176 Ca 0.23 -0.64 -0.37 0.00 0.00 0.00 0.00 47.33 46.56 3i9k h GLY 176 CO -0.01 0.61 -2.33 0.28 0.00 0.00 0.00 176.54 175.09 3i9k n LYS 177 N -4.32 0.68 -0.00 4.80 5.02 0.26 -4.44 118.16 120.15 3i9k n LYS 177 Ca 0.09 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3i9k n LYS 177 Cb 0.13 -1.56 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 3i9k n LYS 177 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i9k n TYR 178 N -3.01 0.00 0.00 2.13 4.01 0.10 -4.67 117.16 115.72 3i9k n TYR 178 Ca -0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 3i9k n TYR 178 Cb 1.08 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 3i9k n TYR 178 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i9k n GLY 179 N 2.21 -0.33 0.21 2.72 0.00 -0.47 -3.81 105.19 105.73 3i9k n GLY 179 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3i9k n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i9k h LEU 180 N 0.00 -0.05 -2.37 0.99 5.85 -0.71 -1.09 115.31 117.93 3i9k h LEU 180 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3i9k h LEU 180 Cb 0.00 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3i9k h LEU 180 CO 0.00 -0.01 0.10 -0.65 -0.34 0.00 0.00 178.44 177.54 3i9k h PRO 181 N 0.22 0.00 -0.14 5.25 0.11 -1.79 -2.06 132.00 133.59 3i9k h PRO 181 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3i9k h PRO 181 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3i9k h PRO 181 CO -0.39 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.49 3i9k n ASN 182 N -2.83 2.47 -4.72 -2.05 3.02 -0.43 -4.95 115.26 105.78 3i9k n ASN 182 Ca -0.02 -1.71 -0.42 0.00 -0.03 0.00 0.00 54.58 52.40 3i9k n ASN 182 Cb 0.15 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3i9k n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i9k s LEU 183 N -1.15 4.40 0.00 3.41 1.43 -0.78 -3.41 118.68 122.58 3i9k s LEU 183 Ca 0.20 2.17 0.02 0.00 -1.03 0.00 0.00 54.13 55.50 3i9k s LEU 183 Cb 0.13 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.85 3i9k s LEU 183 CO 0.19 -0.46 0.65 0.35 0.23 0.00 0.00 176.35 177.31 3i9k n THR 184 N 3.31 0.00 1.27 5.49 -2.24 -1.26 -4.95 114.28 115.90 3i9k n THR 184 Ca 0.07 -1.20 0.11 0.00 -2.27 0.00 0.00 64.05 60.76 3i9k n THR 184 Cb 0.45 -0.90 0.61 0.00 -2.10 0.00 0.00 70.33 68.39 3i9k n THR 184 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i9k n ASN 185 N -2.79 0.00 0.28 3.42 0.23 -1.26 -1.44 115.26 113.70 3i9k n ASN 185 Ca 0.12 -0.51 0.17 0.00 -0.53 0.00 0.00 54.58 53.82 3i9k n ASN 185 Cb 0.42 -0.07 0.67 0.00 -2.08 0.00 0.00 39.78 38.72 3i9k n ASN 185 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3i9k h LYS 186 N 0.00 0.00 -6.56 -3.83 1.79 -1.93 -3.43 116.57 102.61 3i9k h LYS 186 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 3i9k h LYS 186 Cb 0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 3i9k h LYS 186 CO 0.00 0.01 0.42 0.08 -1.08 0.00 0.00 179.45 178.88 3i9k s VAL 187 N -3.67 4.30 -0.15 0.50 1.01 -0.52 -0.76 120.40 121.11 3i9k s VAL 187 Ca 0.01 1.85 0.14 0.00 0.00 0.00 0.00 61.98 63.98 3i9k s VAL 187 Cb 0.09 -4.18 -0.19 0.00 0.00 0.00 0.00 36.38 32.10 3i9k s VAL 187 CO 0.55 0.26 0.07 0.35 0.00 0.00 0.00 175.10 176.32 3i9k n THR 188 N 2.97 1.01 -3.63 3.92 -2.24 -0.59 -4.86 114.28 110.87 3i9k n THR 188 Ca 0.04 -0.64 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 3i9k n THR 188 Cb 0.48 -0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 68.07 3i9k n THR 188 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i9k s ARG 189 N -2.40 0.83 -0.21 -0.78 3.52 -1.25 -0.07 118.95 118.59 3i9k s ARG 189 Ca -0.08 0.67 -0.06 0.00 -0.13 0.00 0.00 55.73 56.14 3i9k s ARG 189 Cb 0.05 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.81 3i9k s ARG 189 CO 0.63 -0.16 0.02 0.08 -0.81 0.00 0.00 175.30 175.06 3i9k s VAL 190 N -0.15 4.01 -0.26 7.11 1.01 -0.41 -0.70 120.40 131.02 3i9k s VAL 190 Ca -0.04 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 3i9k s VAL 190 Cb -0.03 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 3i9k s VAL 190 CO 0.03 0.40 0.06 -0.54 0.00 0.00 0.00 175.10 175.06 3i9k s LYS 191 N 1.20 3.48 -0.16 2.72 1.02 0.53 -2.00 119.74 126.52 3i9k s LYS 191 Ca 0.03 -0.59 -0.08 0.00 0.02 0.00 0.00 55.97 55.35 3i9k s LYS 191 Cb -0.14 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 3i9k s LYS 191 CO 0.02 -0.25 0.13 0.08 -0.92 0.00 0.00 175.35 174.40 3i9k s VAL 192 N 1.57 5.43 -0.27 3.17 1.01 0.56 -0.11 120.40 131.77 3i9k s VAL 192 Ca 0.05 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 3i9k s VAL 192 Cb -0.15 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.83 3i9k s VAL 192 CO 0.02 0.53 -0.02 -0.63 0.00 0.00 0.00 175.10 175.00 3i9k s ILE 193 N -0.29 3.10 -0.25 2.22 1.01 0.50 -1.08 121.20 126.40 3i9k s ILE 193 Ca 0.11 -1.05 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 3i9k s ILE 193 Cb -0.11 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3i9k s ILE 193 CO 0.01 0.10 0.54 -0.69 0.00 0.00 0.00 174.94 174.90 3i9k s VAL 194 N 1.34 5.06 -0.29 2.92 1.01 0.34 -0.44 120.40 130.34 3i9k s VAL 194 Ca -0.01 0.96 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 3i9k s VAL 194 Cb -0.17 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 3i9k s VAL 194 CO -0.02 0.09 0.66 -0.22 0.00 0.00 0.00 175.10 175.60 3i9k s LEU 195 N 2.22 4.11 -0.39 3.92 2.96 0.61 -1.34 118.68 130.77 3i9k s LEU 195 Ca 0.23 0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 54.57 3i9k s LEU 195 Cb -0.16 -2.87 0.03 0.00 0.50 0.00 0.00 46.19 43.69 3i9k s LEU 195 CO 0.09 -0.47 0.25 -1.00 -1.32 0.00 0.00 176.35 173.90 3i9k s HIS 196 N 2.63 3.25 0.40 5.38 3.76 -1.26 -0.09 115.29 129.35 3i9k s HIS 196 Ca 0.27 -0.83 -0.27 0.00 -0.15 0.00 0.00 55.06 54.08 3i9k s HIS 196 Cb -0.15 -2.53 -0.09 0.00 1.11 0.00 0.00 32.58 30.91 3i9k s HIS 196 CO 0.11 -0.64 1.38 1.03 -0.85 0.00 0.00 174.74 175.77 3i9k s ARG 197 N 1.60 4.01 0.34 1.40 0.52 -1.26 -4.87 118.95 120.68 3i9k s ARG 197 Ca 0.03 2.34 -0.29 0.00 -0.52 0.00 0.00 55.73 57.29 3i9k s ARG 197 Cb -0.19 -2.84 -0.10 0.00 0.52 0.00 0.00 34.95 32.33 3i9k s ARG 197 CO 0.08 -0.52 1.35 -0.51 0.02 0.00 0.00 175.30 175.71 3i9k s LEU 198 N -2.30 4.40 -0.12 2.53 1.43 -1.26 -2.23 118.68 121.14 3i9k s LEU 198 Ca 0.55 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 56.41 3i9k s LEU 198 Cb -0.42 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.15 3i9k s LEU 198 CO 0.55 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 177.13 3i9k n GLY 199 N 0.80 0.37 3.62 -3.19 0.00 -1.26 -5.00 105.19 100.53 3i9k n GLY 199 Ca 0.01 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 3i9k n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9k s GLU 200 N -1.13 2.23 0.20 1.61 2.02 -0.95 -5.09 118.70 117.59 3i9k s GLU 200 Ca 0.00 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.49 3i9k s GLU 200 Cb 0.00 -2.25 -0.08 0.00 0.10 0.00 0.00 34.13 31.89 3i9k s GLU 200 CO 0.00 0.44 1.21 0.21 0.02 0.00 0.00 175.26 177.14 3i9k s LYS 201 N -2.91 4.49 0.01 1.61 2.20 -1.26 -4.84 119.74 119.03 3i9k s LYS 201 Ca 0.26 1.90 -0.30 0.00 -0.36 0.00 0.00 55.97 57.47 3i9k s LYS 201 Cb -0.09 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 32.95 3i9k s LYS 201 CO 0.17 -0.09 1.44 0.42 -0.36 0.00 0.00 175.35 176.94 3i9k s ILE 202 N -0.16 3.61 -0.21 5.43 1.01 -1.26 -4.63 121.20 125.00 3i9k s ILE 202 Ca 0.52 1.00 -0.05 0.00 0.00 0.00 0.00 60.65 62.13 3i9k s ILE 202 Cb -0.33 -3.64 -0.11 0.00 0.01 0.00 0.00 42.46 38.39 3i9k s ILE 202 CO 0.38 -0.01 -0.23 -0.38 0.00 0.00 0.00 174.94 174.70 3i9k n ILE 203 N 4.70 1.16 -4.44 2.92 2.08 0.01 -5.00 119.36 120.79 3i9k n ILE 203 Ca 0.14 -0.37 -0.28 0.00 0.56 0.00 0.00 62.75 62.80 3i9k n ILE 203 Cb 0.43 -1.50 -0.13 0.00 -0.75 0.00 0.00 39.64 37.69 3i9k n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3i9k s GLU 204 N -2.39 1.41 0.02 0.38 0.41 -0.54 -5.01 118.70 112.97 3i9k s GLU 204 Ca -0.28 -1.29 -0.03 0.00 -0.41 0.00 0.00 54.97 52.96 3i9k s GLU 204 Cb 0.09 -1.83 -0.01 0.00 -1.78 0.00 0.00 34.13 30.59 3i9k s GLU 204 CO 0.42 0.44 0.03 0.15 -0.49 0.00 0.00 175.26 175.80 3i9k s LYS 205 N -1.93 0.38 0.51 1.61 1.02 -1.26 -4.87 119.74 115.20 3i9k s LYS 205 Ca 0.13 -0.56 -0.22 0.00 0.02 0.00 0.00 55.97 55.33 3i9k s LYS 205 Cb -0.10 0.15 -0.07 0.00 -0.52 0.00 0.00 37.83 37.29 3i9k s LYS 205 CO 0.05 -0.08 1.18 0.00 -0.92 0.00 0.00 175.35 175.58 3i9k n GLY 207 N 0.98 0.32 3.13 0.00 0.00 -1.26 -4.98 105.19 103.38 3i9k n GLY 207 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3i9k n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9k s ALA 208 N -1.77 0.80 0.00 4.61 0.00 -0.89 -4.65 121.76 119.87 3i9k s ALA 208 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3i9k s ALA 208 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3i9k s ALA 208 CO 0.00 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3i9k n GLY 209 N 0.44 3.50 0.17 0.00 0.00 -1.26 -2.23 105.19 105.81 3i9k n GLY 209 Ca -0.16 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.76 3i9k n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i9k h SER 210 N 1.45 0.00 0.35 1.61 4.64 -1.92 -1.84 113.55 117.84 3i9k h SER 210 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3i9k h SER 210 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3i9k h SER 210 CO 0.00 0.43 -0.29 -0.07 -0.87 0.00 0.00 176.83 176.03 3i9k h LEU 211 N 0.00 0.00 0.19 5.97 3.38 -1.73 0.30 115.31 123.43 3i9k h LEU 211 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3i9k h LEU 211 Cb 1.08 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.86 3i9k h LEU 211 CO 0.06 0.29 -1.38 0.25 0.09 0.00 0.00 178.44 177.75 3i9k h LEU 212 N 0.00 0.79 -0.72 1.67 5.85 -1.05 -0.35 115.31 121.49 3i9k h LEU 212 Ca -0.00 -0.81 0.11 0.00 0.84 0.00 0.00 57.88 58.02 3i9k h LEU 212 Cb 0.54 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 3i9k h LEU 212 CO 0.04 1.62 0.34 0.44 -0.34 0.00 0.00 178.44 180.54 3i9k h ASP 213 N 0.17 0.41 -0.35 1.25 3.32 -1.17 -0.86 116.42 119.20 3i9k h ASP 213 Ca -0.22 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 3i9k h ASP 213 Cb 2.06 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.61 3i9k h ASP 213 CO 0.25 0.22 -0.03 0.25 -1.72 0.00 0.00 179.24 178.22 3i9k h LEU 214 N 0.56 0.62 -0.62 1.55 5.85 -0.86 -1.78 115.31 120.63 3i9k h LEU 214 Ca 0.37 -0.33 0.12 0.00 0.84 0.00 0.00 57.88 58.88 3i9k h LEU 214 Cb 0.44 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 3i9k h LEU 214 CO -0.31 0.80 0.12 -0.08 -0.34 0.00 0.00 178.44 178.64 3i9k h GLU 215 N 0.43 0.24 -0.55 1.25 4.81 -0.74 -0.57 114.58 119.45 3i9k h GLU 215 Ca 0.09 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3i9k h GLU 215 Cb 0.50 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3i9k h GLU 215 CO 0.02 0.16 0.08 0.87 -0.73 0.00 0.00 179.01 179.41 3i9k h LYS 216 N 0.25 0.91 -0.43 1.92 1.57 -0.88 -1.77 116.57 118.14 3i9k h LYS 216 Ca 0.33 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3i9k h LYS 216 Cb 0.50 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3i9k h LYS 216 CO -0.43 0.89 0.22 -0.07 -0.57 0.00 0.00 179.45 179.49 3i9k h LEU 217 N 0.80 0.55 -0.32 2.94 3.38 -0.66 -0.98 115.31 121.02 3i9k h LEU 217 Ca 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i9k h LEU 217 Cb 0.42 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3i9k h LEU 217 CO 0.01 0.50 0.19 0.58 0.09 0.00 0.00 178.44 179.81 3i9k h VAL 218 N 0.55 1.11 -0.50 1.22 2.07 -1.06 -2.50 116.25 117.14 3i9k h VAL 218 Ca 0.15 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 3i9k h VAL 218 Cb 0.08 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3i9k h VAL 218 CO -0.02 0.11 -0.00 0.11 0.02 0.00 0.00 177.57 177.78 3i9k h LYS 219 N 0.41 0.85 0.00 1.57 1.57 -1.16 -1.47 116.57 118.34 3i9k h LYS 219 Ca 0.11 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3i9k h LYS 219 Cb 0.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3i9k h LYS 219 CO -0.02 0.85 0.00 0.00 -0.57 0.00 0.00 179.45 179.71 3i9k h ALA 220 N 1.20 1.00 -0.22 3.86 0.00 -1.06 0.17 119.26 124.21 3i9k h ALA 220 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i9k h ALA 220 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3i9k h ALA 220 CO 0.02 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.90 3i9k n LYS 221 N -2.61 1.61 -2.35 0.00 5.02 -0.59 -4.96 118.16 114.29 3i9k n LYS 221 Ca 0.01 -0.94 -0.15 0.00 -2.02 0.00 0.00 58.31 55.21 3i9k n LYS 221 Cb 0.21 -1.27 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 3i9k n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i9k n HIS 222 N 0.22 -1.19 -3.33 2.13 8.25 0.58 -5.01 115.22 116.87 3i9k n HIS 222 Ca 0.12 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.24 3i9k n HIS 222 Cb 0.25 -3.14 -0.06 0.00 1.12 0.00 0.00 29.99 28.16 3i9k n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3i9k s PHE 223 N -2.72 3.53 0.99 4.41 0.08 -1.00 -4.98 117.98 118.29 3i9k s PHE 223 Ca 0.00 1.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.98 3i9k s PHE 223 Cb 0.00 -2.38 0.18 0.00 -0.57 0.00 0.00 43.02 40.26 3i9k s PHE 223 CO 0.00 0.33 1.10 0.00 -0.10 0.00 0.00 175.22 176.55 3i9k s ALA 224 N -1.63 1.03 -0.12 5.36 0.00 0.91 -4.18 121.76 123.13 3i9k s ALA 224 Ca 0.43 -0.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 3i9k s ALA 224 Cb -0.13 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.92 3i9k s ALA 224 CO 0.20 -2.79 0.31 0.12 0.00 0.00 0.00 175.76 173.60 3i9k s PHE 225 N -3.00 -0.38 0.20 0.00 5.36 -1.26 -1.28 117.98 117.62 3i9k s PHE 225 Ca 0.65 0.89 -0.04 0.00 -0.96 0.00 0.00 56.93 57.46 3i9k s PHE 225 Cb -0.18 0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.59 3i9k s PHE 225 CO 0.57 -0.21 0.21 0.16 -1.46 0.00 0.00 175.22 174.49 3i9k s ASP 226 N 0.64 0.11 -0.18 6.13 1.47 -0.85 -4.98 116.67 119.01 3i9k s ASP 226 Ca -0.04 -1.21 -0.11 0.00 1.18 0.00 0.00 52.55 52.38 3i9k s ASP 226 Cb -0.05 0.42 0.06 0.00 -0.34 0.00 0.00 42.92 43.01 3i9k s ASP 226 CO -0.04 -0.90 0.44 0.00 0.68 0.00 0.00 175.17 175.36 3i9k s VAL 228 N 1.30 0.60 -0.20 0.00 -7.23 -0.24 -4.94 120.40 109.69 3i9k s VAL 228 Ca -0.09 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 3i9k s VAL 228 Cb -0.07 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 3i9k s VAL 228 CO -0.12 -0.40 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.60 3i9k s GLU 229 N -1.72 3.40 -1.37 4.82 2.02 -1.26 -0.50 118.70 124.09 3i9k s GLU 229 Ca -0.08 -0.63 -0.09 0.00 0.02 0.00 0.00 54.97 54.19 3i9k s GLU 229 Cb -0.09 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.21 3i9k s GLU 229 CO 0.00 -0.09 0.41 0.09 0.02 0.00 0.00 175.26 175.69 3i9k n ASN 230 N 4.47 -1.40 -4.54 -0.19 4.13 -0.45 -4.86 115.26 112.42 3i9k n ASN 230 Ca -0.18 -1.13 -0.46 0.00 1.68 0.00 0.00 54.58 54.49 3i9k n ASN 230 Cb 0.51 -2.50 -0.02 0.00 -1.54 0.00 0.00 39.78 36.23 3i9k n ASN 230 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3i9k n PRO 231 N -4.53 1.00 -0.33 3.52 -0.04 -1.26 -4.41 135.00 128.95 3i9k n PRO 231 Ca -0.25 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 3i9k n PRO 231 Cb 0.65 -1.65 0.23 0.00 -0.04 0.00 0.00 33.50 32.69 3i9k n PRO 231 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i9k n ARG 232 N 0.91 -0.08 -0.23 0.54 1.74 -1.26 -0.42 116.66 117.86 3i9k n ARG 232 Ca 0.12 1.44 -0.05 0.00 -0.77 0.00 0.00 57.85 58.60 3i9k n ARG 232 Cb 0.29 -2.24 0.12 0.00 -1.02 0.00 0.00 32.46 29.61 3i9k n ARG 232 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9k h ALA 233 N 1.90 1.12 -0.20 7.54 0.00 -2.00 0.12 119.26 127.74 3i9k h ALA 233 Ca 0.53 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 3i9k h ALA 233 Cb 1.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3i9k h ALA 233 CO -0.92 0.62 -0.14 0.28 0.00 0.00 0.00 179.25 179.09 3i9k h VAL 234 N 1.03 1.32 -0.88 0.00 2.07 -1.07 -2.87 116.25 115.84 3i9k h VAL 234 Ca 0.23 -1.25 0.10 0.00 0.82 0.00 0.00 66.70 66.61 3i9k h VAL 234 Cb 0.24 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 3i9k h VAL 234 CO -0.01 0.38 0.52 0.25 0.02 0.00 0.00 177.57 178.73 3i9k h LEU 235 N 0.13 0.76 -0.85 2.57 5.85 -0.50 -1.23 115.31 122.03 3i9k h LEU 235 Ca 0.04 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3i9k h LEU 235 Cb 0.65 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3i9k h LEU 235 CO 0.04 0.42 0.37 -0.26 -0.34 0.00 0.00 178.44 178.67 3i9k h PHE 236 N 0.86 1.22 -0.45 1.25 0.04 -0.93 0.58 116.94 119.51 3i9k h PHE 236 Ca 0.43 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 61.17 3i9k h PHE 236 Cb 0.40 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.14 3i9k h PHE 236 CO -0.04 0.90 0.22 1.25 -0.60 0.00 0.00 178.31 180.03 3i9k h LEU 237 N 1.19 0.31 0.14 1.54 5.85 -1.11 -0.92 115.31 122.30 3i9k h LEU 237 Ca 0.28 0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.04 3i9k h LEU 237 Cb 0.16 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3i9k h LEU 237 CO -0.03 0.22 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.03 3i9k h LEU 238 N 0.43 -0.52 -1.30 2.25 3.38 -0.83 -2.93 115.31 115.79 3i9k h LEU 238 Ca 0.20 0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.44 3i9k h LEU 238 Cb 0.12 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 3i9k h LEU 238 CO -0.15 -0.28 0.62 0.00 0.09 0.00 0.00 178.44 178.73 3i9k h SER 240 N 0.53 0.75 0.70 0.00 0.87 -0.97 -0.30 113.55 115.13 3i9k h SER 240 Ca 0.54 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 3i9k h SER 240 Cb 1.15 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 3i9k h SER 240 CO -0.27 0.46 -0.41 0.47 -0.53 0.00 0.00 176.83 176.55 3i9k n ASP 241 N -4.50 0.45 -3.13 6.23 8.00 -0.52 -4.34 116.55 118.74 3i9k n ASP 241 Ca 0.13 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.41 3i9k n ASP 241 Cb 0.26 0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 3i9k n ASP 241 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i9k n ASN 242 N -1.65 -0.28 0.28 -2.24 4.05 -0.56 -4.99 115.26 109.87 3i9k n ASN 242 Ca 0.05 -2.77 0.15 0.00 0.45 0.00 0.00 54.58 52.46 3i9k n ASN 242 Cb 0.36 -0.29 0.82 0.00 1.23 0.00 0.00 39.78 41.90 3i9k n ASN 242 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3i9k h PRO 243 N 4.03 0.00 -0.12 1.20 0.13 -1.29 -2.59 132.00 133.36 3i9k h PRO 243 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3i9k h PRO 243 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3i9k h PRO 243 CO 0.44 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 178.38 3i9k n ASN 244 N -3.53 1.92 -4.68 1.44 3.02 -1.26 -4.74 115.26 107.43 3i9k n ASN 244 Ca -0.02 -1.69 -0.42 0.00 -0.03 0.00 0.00 54.58 52.42 3i9k n ASN 244 Cb 0.20 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3i9k n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i9k n ALA 245 N 0.49 1.01 -0.29 5.41 0.00 -0.98 -4.90 120.51 121.26 3i9k n ALA 245 Ca 0.17 0.33 0.12 0.00 0.00 0.00 0.00 53.44 54.06 3i9k n ALA 245 Cb 0.39 -2.21 0.27 0.00 0.00 0.00 0.00 19.45 17.90 3i9k n ALA 245 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i9k h ARG 246 N 2.27 0.19 0.00 0.00 2.43 -1.91 -1.19 114.38 116.17 3i9k h ARG 246 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3i9k h ARG 246 Cb 1.30 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3i9k h ARG 246 CO 0.61 0.13 0.00 0.39 -1.51 0.00 0.00 179.97 179.59 3i9k n GLU 247 N -5.24 0.02 -0.35 0.20 4.71 -1.26 -2.89 120.64 115.83 3i9k n GLU 247 Ca 0.20 0.46 0.09 0.00 -0.01 0.00 0.00 57.16 57.89 3i9k n GLU 247 Cb 0.64 -1.55 0.26 0.00 -1.01 0.00 0.00 31.44 29.79 3i9k n GLU 247 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i9k s ARG 249 N -1.27 4.28 0.46 0.00 0.52 -1.14 -4.99 118.95 116.81 3i9k s ARG 249 Ca 0.39 2.14 -0.02 0.00 -0.52 0.00 0.00 55.73 57.73 3i9k s ARG 249 Cb 0.22 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 3i9k s ARG 249 CO 0.24 -0.51 0.71 -0.51 0.02 0.00 0.00 175.30 175.24 3i9k s LEU 250 N 1.39 3.63 0.00 2.53 1.43 -1.26 -5.18 118.68 121.22 3i9k s LEU 250 Ca 0.66 0.49 0.16 0.00 -1.03 0.00 0.00 54.13 54.41 3i9k s LEU 250 Cb -0.38 -3.37 0.97 0.00 0.03 0.00 0.00 46.19 43.45 3i9k s LEU 250 CO 0.30 -0.68 1.38 0.00 0.23 0.00 0.00 176.35 177.58