#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9l s VAL 2 N 0.00 4.97 0.70 9.51 1.01 -1.26 -0.77 120.40 134.56 3i9l s VAL 2 Ca 0.00 1.54 -0.11 0.00 0.00 0.00 0.00 61.98 63.41 3i9l s VAL 2 Cb 0.00 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.30 3i9l s VAL 2 CO 0.00 0.15 1.07 -2.16 0.00 0.00 0.00 175.10 174.15 3i9l s PRO 3 N 1.41 2.89 0.19 2.72 0.04 -1.26 -4.84 135.00 136.15 3i9l s PRO 3 Ca 0.38 0.80 -0.32 0.00 0.04 0.00 0.00 61.00 61.90 3i9l s PRO 3 Cb -0.17 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 3i9l s PRO 3 CO 0.16 -1.09 1.70 0.99 0.04 0.00 0.00 177.00 178.81 3i9l s THR 4 N -3.13 2.16 0.54 1.26 2.01 0.09 -4.95 115.64 113.62 3i9l s THR 4 Ca 0.58 0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.48 3i9l s THR 4 Cb -0.13 -3.06 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 3i9l s THR 4 CO 0.54 0.01 1.13 -0.13 -0.69 0.00 0.00 174.62 175.48 3i9l s ARG 5 N 1.28 3.40 -1.44 4.92 0.52 -1.26 -3.92 118.95 122.45 3i9l s ARG 5 Ca 0.74 1.61 -0.04 0.00 -0.52 0.00 0.00 55.73 57.53 3i9l s ARG 5 Cb -0.48 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 32.98 3i9l s ARG 5 CO 0.32 -0.81 0.54 0.39 0.02 0.00 0.00 175.30 175.77 3i9l n GLU 6 N -1.23 -3.66 -0.16 3.54 1.02 -1.26 -4.76 120.64 114.12 3i9l n GLU 6 Ca 0.11 0.44 -0.04 0.00 -0.02 0.00 0.00 57.16 57.66 3i9l n GLU 6 Cb 0.51 -4.76 0.03 0.00 -0.02 0.00 0.00 31.44 27.20 3i9l n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i9l h LEU 7 N -1.82 -0.68 -0.46 -4.62 5.85 -1.98 0.04 115.31 111.64 3i9l h LEU 7 Ca -0.62 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 3i9l h LEU 7 Cb 1.37 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.77 3i9l h LEU 7 CO 0.64 -0.22 0.28 -0.08 -0.34 0.00 0.00 178.44 178.72 3i9l h GLU 8 N -0.08 0.63 -0.60 1.25 4.81 -1.94 0.21 114.58 118.86 3i9l h GLU 8 Ca 0.24 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 3i9l h GLU 8 Cb 0.45 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3i9l h GLU 8 CO -0.56 0.46 0.15 -0.91 -0.73 0.00 0.00 179.01 177.42 3i9l h ASN 9 N 0.62 0.88 -0.16 1.04 2.35 -1.64 0.10 115.58 118.78 3i9l h ASN 9 Ca 0.17 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 3i9l h ASN 9 Cb -0.01 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.13 3i9l h ASN 9 CO -0.03 0.86 -0.29 0.58 -1.65 0.00 0.00 177.43 176.89 3i9l h VAL 10 N 0.90 1.35 -0.24 2.81 2.07 -0.59 0.27 116.25 122.83 3i9l h VAL 10 Ca 0.19 -1.54 0.05 0.00 0.82 0.00 0.00 66.70 66.22 3i9l h VAL 10 Cb 0.32 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3i9l h VAL 10 CO -0.00 0.46 -0.06 0.15 0.02 0.00 0.00 177.57 178.14 3i9l h PHE 11 N 0.11 -0.12 -0.20 1.57 3.04 -0.82 0.26 116.94 120.78 3i9l h PHE 11 Ca 0.01 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.82 3i9l h PHE 11 Cb 0.88 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.48 3i9l h PHE 11 CO 0.10 -0.10 -0.52 -0.07 -2.02 0.00 0.00 178.31 175.69 3i9l h LEU 12 N 0.00 0.61 -0.14 0.59 3.38 -0.88 0.04 115.31 118.90 3i9l h LEU 12 Ca 0.11 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3i9l h LEU 12 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3i9l h LEU 12 CO -0.24 1.02 0.00 1.23 0.09 0.00 0.00 178.44 180.54 3i9l h GLY 13 N 1.07 0.27 1.03 0.83 0.00 -0.68 -0.83 103.07 104.75 3i9l h GLY 13 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3i9l h GLY 13 CO 0.10 0.18 0.43 3.21 0.00 0.00 0.00 176.54 180.46 3i9l h ARG 14 N -0.01 1.22 -0.50 4.80 3.08 -0.86 -1.08 114.38 121.04 3i9l h ARG 14 Ca 0.04 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3i9l h ARG 14 Cb 0.36 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3i9l h ARG 14 CO 0.01 0.92 0.25 0.00 -1.07 0.00 0.00 179.97 180.08 3i9l h LYS 16 N 0.67 0.42 -0.49 0.00 1.63 -0.87 -0.35 116.57 117.58 3i9l h LYS 16 Ca 0.17 -0.23 0.10 0.00 -0.85 0.00 0.00 60.65 59.84 3i9l h LYS 16 Cb 0.10 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.66 3i9l h LYS 16 CO -0.02 0.81 -0.04 0.22 -3.45 0.00 0.00 179.45 176.97 3i9l h ASP 17 N 0.06 -0.28 0.06 4.20 3.58 -1.14 -1.90 116.42 120.99 3i9l h ASP 17 Ca 0.02 0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 3i9l h ASP 17 Cb 0.75 0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.03 3i9l h ASP 17 CO 0.05 -0.10 -0.03 0.22 -2.88 0.00 0.00 179.24 176.50 3i9l h TYR 18 N 0.08 -0.07 -0.43 0.28 5.03 -0.68 -0.72 116.97 120.45 3i9l h TYR 18 Ca 0.24 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.63 3i9l h TYR 18 Cb 0.37 0.02 -0.10 0.00 1.55 0.00 0.00 36.73 38.58 3i9l h TYR 18 CO -0.34 0.20 -0.33 1.49 -1.32 0.00 0.00 178.16 177.85 3i9l h GLU 19 N -0.33 -0.23 0.06 1.82 4.81 -0.75 -1.36 114.58 118.59 3i9l h GLU 19 Ca -0.01 0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 3i9l h GLU 19 Cb 0.30 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3i9l h GLU 19 CO 0.01 -0.15 -1.30 0.82 -0.73 0.00 0.00 179.01 177.66 3i9l h ILE 20 N -0.24 1.39 0.00 2.32 1.08 -1.34 -3.43 117.51 117.29 3i9l h ILE 20 Ca 0.18 -3.08 0.00 0.00 -0.39 0.00 0.00 64.86 61.57 3i9l h ILE 20 Cb 0.54 2.78 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 3i9l h ILE 20 CO -0.56 0.84 -0.18 0.35 -0.69 0.00 0.00 178.15 177.91 3i9l n THR 21 N -3.36 0.00 -4.44 -0.27 -2.24 -0.28 -5.01 114.28 98.67 3i9l n THR 21 Ca -0.09 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.12 3i9l n THR 21 Cb 1.00 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 69.94 3i9l n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i9l s ARG 22 N -0.83 3.30 -1.75 -0.78 1.81 -0.53 -4.56 118.95 115.60 3i9l s ARG 22 Ca 0.00 -0.49 -0.00 0.00 -1.72 0.00 0.00 55.73 53.51 3i9l s ARG 22 Cb 0.00 -2.82 0.00 0.00 -0.45 0.00 0.00 34.95 31.68 3i9l s ARG 22 CO 0.00 0.45 0.02 0.66 -0.68 0.00 0.00 175.30 175.75 3i9l n TYR 23 N 2.88 -1.05 -0.27 -0.53 4.02 -1.26 -4.79 117.16 116.16 3i9l n TYR 23 Ca -0.18 0.01 0.08 0.00 -0.01 0.00 0.00 57.90 57.80 3i9l n TYR 23 Cb 0.53 -3.94 0.31 0.00 -0.02 0.00 0.00 39.34 36.22 3i9l n TYR 23 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3i9l h LEU 24 N -0.03 0.77 -2.86 7.72 3.38 -1.80 0.12 115.31 122.60 3i9l h LEU 24 Ca -0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3i9l h LEU 24 Cb 1.36 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3i9l h LEU 24 CO 0.58 0.45 0.00 0.47 0.09 0.00 0.00 178.44 180.03 3i9l n ASP 25 N -4.52 4.05 -0.00 -0.43 8.00 -1.26 -4.46 116.55 117.92 3i9l n ASP 25 Ca 0.15 -2.11 -0.00 0.00 0.71 0.00 0.00 54.79 53.54 3i9l n ASP 25 Cb 0.31 -0.49 -0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3i9l n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3i9l n ILE 26 N 1.42 0.01 -4.14 0.53 5.41 -0.15 -5.07 119.36 117.36 3i9l n ILE 26 Ca 0.24 -0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.82 3i9l n ILE 26 Cb 0.67 -0.97 -0.12 0.00 -0.71 0.00 0.00 39.64 38.51 3i9l n ILE 26 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3i9l s LEU 27 N -5.47 2.25 0.79 1.39 1.43 0.22 -4.69 118.68 114.61 3i9l s LEU 27 Ca -0.00 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 3i9l s LEU 27 Cb 0.00 -0.38 0.06 0.00 0.03 0.00 0.00 46.19 45.90 3i9l s LEU 27 CO 0.00 -0.11 1.11 -2.16 0.23 0.00 0.00 176.35 175.42 3i9l s PRO 28 N -1.59 2.17 0.47 1.29 0.04 -1.26 -4.58 135.00 131.55 3i9l s PRO 28 Ca -0.05 0.53 -0.12 0.00 0.04 0.00 0.00 61.00 61.40 3i9l s PRO 28 Cb -0.10 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3i9l s PRO 28 CO 0.01 -1.53 0.88 1.03 0.04 0.00 0.00 177.00 177.42 3i9l s ARG 29 N -5.24 3.80 0.27 4.56 1.81 -1.26 -4.93 118.95 117.96 3i9l s ARG 29 Ca 0.60 0.65 -0.09 0.00 -1.72 0.00 0.00 55.73 55.18 3i9l s ARG 29 Cb -0.13 -2.27 -0.07 0.00 -0.45 0.00 0.00 34.95 32.03 3i9l s ARG 29 CO 0.53 -0.19 0.58 0.08 -0.68 0.00 0.00 175.30 175.63 3i9l s VAL 30 N -2.57 4.93 0.17 3.52 1.01 -1.26 -5.01 120.40 121.19 3i9l s VAL 30 Ca 0.54 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.86 3i9l s VAL 30 Cb -0.10 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 3i9l s VAL 30 CO 0.35 -0.20 1.44 0.03 0.00 0.00 0.00 175.10 176.72 3i9l h ARG 31 N 2.14 0.58 -6.93 2.72 2.47 -1.95 -3.46 114.38 109.96 3i9l h ARG 31 Ca -0.47 -0.41 -0.51 0.00 -1.26 0.00 0.00 59.98 57.32 3i9l h ARG 31 Cb 1.18 0.07 0.05 0.00 -1.65 0.00 0.00 29.97 29.62 3i9l h ARG 31 CO 0.68 1.03 0.53 -1.12 0.56 0.00 0.00 179.97 181.65 3i9l s SER 32 N -6.97 6.57 0.64 7.04 0.01 -1.26 -5.02 113.70 114.70 3i9l s SER 32 Ca -0.08 2.41 -0.11 0.00 1.31 0.00 0.00 55.95 59.48 3i9l s SER 32 Cb 0.10 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 3i9l s SER 32 CO 0.86 -0.65 1.04 1.51 0.41 0.00 0.00 173.24 176.40 3i9l s ASP 33 N -1.01 6.02 0.35 2.44 -4.77 -1.26 -4.85 116.67 113.58 3i9l s ASP 33 Ca 0.55 1.48 0.04 0.00 -3.30 0.00 0.00 52.55 51.32 3i9l s ASP 33 Cb -0.32 -2.48 0.68 0.00 -1.09 0.00 0.00 42.92 39.71 3i9l s ASP 33 CO 0.41 -1.01 1.96 0.00 0.70 0.00 0.00 175.17 177.23 3i9l h SER 35 N 0.83 0.95 -0.60 0.00 4.64 -1.97 0.19 113.55 117.58 3i9l h SER 35 Ca 0.31 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 3i9l h SER 35 Cb 0.18 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 3i9l h SER 35 CO -0.10 0.91 0.07 0.00 -0.87 0.00 0.00 176.83 176.84 3i9l h ALA 36 N 1.21 0.80 -0.56 5.18 0.00 -1.70 -1.81 119.26 122.38 3i9l h ALA 36 Ca 0.21 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3i9l h ALA 36 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3i9l h ALA 36 CO -0.00 0.58 0.20 -0.07 0.00 0.00 0.00 179.25 179.96 3i9l h LEU 37 N 0.92 0.80 -0.86 0.00 3.38 -0.80 -2.40 115.31 116.35 3i9l h LEU 37 Ca 0.18 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3i9l h LEU 37 Cb 0.47 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3i9l h LEU 37 CO 0.02 0.78 0.56 -0.25 0.09 0.00 0.00 178.44 179.63 3i9l h TRP 38 N 0.78 1.05 -0.35 1.13 2.91 -0.76 -0.07 115.95 120.64 3i9l h TRP 38 Ca 0.18 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.23 3i9l h TRP 38 Cb 0.25 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.53 3i9l h TRP 38 CO 0.01 0.63 0.21 0.87 -1.03 0.00 0.00 178.44 179.13 3i9l h LYS 39 N 1.11 0.47 -0.62 2.65 1.57 -1.00 0.46 116.57 121.21 3i9l h LYS 39 Ca 0.33 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3i9l h LYS 39 Cb -0.04 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3i9l h LYS 39 CO -0.10 0.36 0.38 -0.44 -0.57 0.00 0.00 179.45 179.08 3i9l h ASP 40 N 0.45 0.75 0.20 0.86 3.32 -1.10 -1.81 116.42 119.09 3i9l h ASP 40 Ca 0.12 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3i9l h ASP 40 Cb 0.01 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3i9l h ASP 40 CO -0.02 0.58 -0.10 0.15 -1.72 0.00 0.00 179.24 178.13 3i9l h PHE 41 N 0.84 -0.25 -0.63 4.55 3.57 -0.65 -3.19 116.94 121.19 3i9l h PHE 41 Ca 0.22 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3i9l h PHE 41 Cb -0.03 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3i9l h PHE 41 CO -0.02 -0.03 0.29 0.35 -2.23 0.00 0.00 178.31 176.67 3i9l h PHE 42 N -0.44 0.88 0.00 0.41 3.57 -0.83 -2.02 116.94 118.51 3i9l h PHE 42 Ca -0.03 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3i9l h PHE 42 Cb 0.34 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3i9l h PHE 42 CO -0.02 0.65 -0.02 1.57 -2.23 0.00 0.00 178.31 178.26 3i9l h LYS 43 N 0.89 0.00 -0.48 1.11 2.10 -1.34 -1.81 116.57 117.04 3i9l h LYS 43 Ca 0.22 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.80 3i9l h LYS 43 Cb 0.11 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 3i9l h LYS 43 CO -0.03 0.02 0.01 0.00 -2.00 0.00 0.00 179.45 177.46 3i9l h ALA 44 N 1.98 1.11 0.00 0.07 0.00 -1.35 -3.36 119.26 117.71 3i9l h ALA 44 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i9l h ALA 44 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i9l h ALA 44 CO 0.00 0.57 -0.64 1.97 0.00 0.00 0.00 179.25 181.16 3i9l n PHE 45 N -4.22 0.00 -2.13 0.00 -1.74 -1.12 -4.83 117.46 103.42 3i9l n PHE 45 Ca 0.03 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.59 3i9l n PHE 45 Cb 0.30 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.30 3i9l n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 3i9l s SER 46 N -1.57 5.86 -1.37 5.98 1.04 -0.69 -3.43 113.70 119.51 3i9l s SER 46 Ca 0.00 1.86 -0.03 0.00 0.48 0.00 0.00 55.95 58.26 3i9l s SER 46 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.59 3i9l s SER 46 CO 0.00 -1.12 0.20 0.49 0.98 0.00 0.00 173.24 173.80 3i9l n PHE 47 N -1.82 -1.49 -4.20 5.02 3.72 -0.21 -4.92 117.46 113.55 3i9l n PHE 47 Ca 0.09 0.18 -0.14 0.00 -0.05 0.00 0.00 57.45 57.53 3i9l n PHE 47 Cb 0.53 -3.43 -0.10 0.00 -0.94 0.00 0.00 39.48 35.53 3i9l n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3i9l s LYS 48 N -5.33 0.92 0.60 -1.08 1.02 -1.09 -4.63 119.74 110.15 3i9l s LYS 48 Ca 0.13 -1.27 -0.19 0.00 0.02 0.00 0.00 55.97 54.66 3i9l s LYS 48 Cb -0.06 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 3i9l s LYS 48 CO 0.16 0.07 1.17 0.09 -0.92 0.00 0.00 175.35 175.92 3i9l n ASN 49 N 0.26 1.66 0.23 2.83 5.03 -1.26 -1.85 115.26 122.15 3i9l n ASN 49 Ca -0.14 0.86 0.16 0.00 0.87 0.00 0.00 54.58 56.32 3i9l n ASN 49 Cb 0.59 -1.49 0.78 0.00 -1.02 0.00 0.00 39.78 38.64 3i9l n ASN 49 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3i9l h PRO 50 N 0.72 0.00 -0.43 3.52 0.13 -1.90 0.10 132.00 134.15 3i9l h PRO 50 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3i9l h PRO 50 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3i9l h PRO 50 CO 0.53 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.30 3i9l n ASP 52 N 1.27 5.67 -3.99 0.00 2.03 0.36 -4.76 116.55 117.14 3i9l n ASP 52 Ca 0.18 -3.07 -0.09 0.00 0.52 0.00 0.00 54.79 52.33 3i9l n ASP 52 Cb 0.55 -1.48 -0.10 0.00 -0.72 0.00 0.00 41.12 39.37 3i9l n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i9l s LEU 53 N -0.30 2.13 0.00 -2.67 1.43 -1.26 -4.87 118.68 113.14 3i9l s LEU 53 Ca 0.44 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3i9l s LEU 53 Cb 0.12 0.33 0.00 0.00 0.03 0.00 0.00 46.19 46.67 3i9l s LEU 53 CO -0.02 -0.46 0.22 -0.90 0.23 0.00 0.00 176.35 175.41 3i9l n ASP 54 N 0.89 -0.60 0.17 2.29 5.68 -1.26 -3.17 116.55 120.57 3i9l n ASP 54 Ca -0.19 -1.86 0.14 0.00 -0.50 0.00 0.00 54.79 52.37 3i9l n ASP 54 Cb 0.58 1.12 0.54 0.00 -1.14 0.00 0.00 41.12 42.22 3i9l n ASP 54 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3i9l h LEU 55 N 0.00 0.00 -0.03 -2.12 4.07 -1.86 -1.46 115.31 113.91 3i9l h LEU 55 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3i9l h LEU 55 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 3i9l h LEU 55 CO 0.17 0.00 -0.26 0.61 -1.08 0.00 0.00 178.44 177.87 3i9l n GLY 56 N 0.09 -1.31 0.29 0.83 0.00 -1.26 -4.46 105.19 99.38 3i9l n GLY 56 Ca 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 3i9l n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i9l h SER 57 N 0.07 0.79 -0.58 1.61 0.02 -1.59 -2.07 113.55 111.81 3i9l h SER 57 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i9l h SER 57 Cb 0.49 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3i9l h SER 57 CO 0.00 0.54 0.00 -1.22 -1.14 0.00 0.00 176.83 175.01 3i9l n TYR 58 N -4.63 1.72 -0.12 3.45 4.01 -1.26 -4.51 117.16 115.82 3i9l n TYR 58 Ca 0.09 -0.63 -0.05 0.00 -0.16 0.00 0.00 57.90 57.16 3i9l n TYR 58 Cb 0.10 -0.37 0.02 0.00 -0.31 0.00 0.00 39.34 38.78 3i9l n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3i9l h LYS 59 N 3.82 0.08 -0.47 -0.72 3.64 -1.63 -0.66 116.57 120.62 3i9l h LYS 59 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3i9l h LYS 59 Cb 1.67 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.45 3i9l h LYS 59 CO 0.35 0.05 0.27 -0.44 -2.27 0.00 0.00 179.45 177.41 3i9l h ASP 60 N 0.08 0.58 -0.36 4.20 3.32 -1.83 0.09 116.42 122.50 3i9l h ASP 60 Ca 0.19 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.23 3i9l h ASP 60 Cb 0.28 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 3i9l h ASP 60 CO -0.34 0.49 -0.04 0.15 -1.72 0.00 0.00 179.24 177.78 3i9l h PHE 61 N 0.62 -0.09 -0.03 4.55 3.57 -1.63 -1.42 116.94 122.51 3i9l h PHE 61 Ca 0.17 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.57 3i9l h PHE 61 Cb 0.03 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3i9l h PHE 61 CO -0.02 -0.10 -0.56 0.74 -2.23 0.00 0.00 178.31 176.13 3i9l h PHE 62 N 0.06 0.12 -0.38 0.41 0.04 -0.65 0.15 116.94 116.68 3i9l h PHE 62 Ca 0.17 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.92 3i9l h PHE 62 Cb 0.25 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 3i9l h PHE 62 CO -0.28 0.64 0.20 1.15 -0.60 0.00 0.00 178.31 179.42 3i9l h THR 63 N 0.07 1.00 -0.15 -1.55 2.02 -0.68 -0.61 112.91 113.01 3i9l h THR 63 Ca -0.00 -0.14 -0.13 0.00 0.77 0.00 0.00 66.41 66.90 3i9l h THR 63 Cb 1.02 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3i9l h THR 63 CO 0.08 0.08 -0.48 0.28 0.37 0.00 0.00 175.52 175.84 3i9l h SER 64 N 0.42 0.43 0.50 4.18 0.02 -0.78 -3.27 113.55 115.04 3i9l h SER 64 Ca 0.16 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3i9l h SER 64 Cb 0.04 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3i9l h SER 64 CO -0.10 0.84 -0.58 0.00 -1.14 0.00 0.00 176.83 175.85 3i9l n ALA 65 N -2.49 3.56 -2.43 3.77 0.00 -0.00 -4.60 120.51 118.32 3i9l n ALA 65 Ca -0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 3i9l n ALA 65 Cb 0.55 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 3i9l n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i9l s GLN 66 N -3.03 4.37 0.17 0.00 2.00 -0.26 -4.57 119.66 118.34 3i9l s GLN 66 Ca 0.10 1.72 -0.05 0.00 -2.00 0.00 0.00 55.36 55.13 3i9l s GLN 66 Cb 0.17 -3.51 -0.06 0.00 0.80 0.00 0.00 33.01 30.41 3i9l s GLN 66 CO 0.72 -0.41 0.42 -0.65 -0.50 0.00 0.00 175.29 174.87 3i9l s GLN 67 N 1.96 3.63 0.27 1.67 -0.21 -1.26 -4.99 119.66 120.74 3i9l s GLN 67 Ca 0.57 -0.07 -0.30 0.00 0.02 0.00 0.00 55.36 55.58 3i9l s GLN 67 Cb -0.26 -2.80 -0.11 0.00 1.00 0.00 0.00 33.01 30.83 3i9l s GLN 67 CO 0.24 0.42 1.61 -0.65 -2.12 0.00 0.00 175.29 174.79 3i9l s GLN 68 N -2.84 4.13 -0.07 2.91 -0.21 -1.26 -4.98 119.66 117.33 3i9l s GLN 68 Ca 0.42 2.57 -0.02 0.00 0.02 0.00 0.00 55.36 58.35 3i9l s GLN 68 Cb -0.12 -3.04 -0.03 0.00 1.00 0.00 0.00 33.01 30.82 3i9l s GLN 68 CO 0.25 -0.64 0.02 -0.51 -2.12 0.00 0.00 175.29 172.29 3i9l s LEU 69 N -0.17 3.66 0.16 2.90 1.43 -1.26 -4.45 118.68 120.95 3i9l s LEU 69 Ca 0.65 0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 53.59 3i9l s LEU 69 Cb -0.48 -1.89 -0.11 0.00 0.03 0.00 0.00 46.19 43.75 3i9l s LEU 69 CO 0.45 0.36 1.76 -2.16 0.23 0.00 0.00 176.35 176.99 3i9l s PRO 70 N -1.02 4.14 0.28 1.29 0.04 -1.26 -4.69 135.00 133.78 3i9l s PRO 70 Ca 0.15 2.58 -0.29 0.00 0.04 0.00 0.00 61.00 63.48 3i9l s PRO 70 Cb -0.11 -3.33 -0.14 0.00 0.04 0.00 0.00 34.50 30.95 3i9l s PRO 70 CO 0.04 -0.79 1.09 1.17 0.04 0.00 0.00 177.00 178.55 3i9l n LYS 71 N 4.81 1.48 -0.82 4.56 3.00 -1.26 -2.49 118.16 127.44 3i9l n LYS 71 Ca 0.17 0.52 0.00 0.00 -0.00 0.00 0.00 58.31 59.00 3i9l n LYS 71 Cb 0.37 -1.95 0.00 0.00 0.00 0.00 0.00 35.03 33.45 3i9l n LYS 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3i9l n ASN 72 N 1.30 -1.82 -0.23 3.14 3.02 -0.27 -4.82 115.26 115.58 3i9l n ASN 72 Ca 0.10 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.67 3i9l n ASN 72 Cb 0.32 -1.75 0.02 0.00 -0.61 0.00 0.00 39.78 37.76 3i9l n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i9l n LYS 73 N -1.49 -0.18 -2.59 3.52 5.02 -1.04 -4.68 118.16 116.71 3i9l n LYS 73 Ca 0.00 -0.85 -0.42 0.00 -2.02 0.00 0.00 58.31 55.03 3i9l n LYS 73 Cb 0.11 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 3i9l n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9l s VAL 74 N -0.49 4.44 -0.01 -0.18 1.01 -1.26 -0.42 120.40 123.49 3i9l s VAL 74 Ca 0.07 1.80 0.07 0.00 0.00 0.00 0.00 61.98 63.92 3i9l s VAL 74 Cb 0.05 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3i9l s VAL 74 CO 0.07 0.17 -0.21 -0.32 0.00 0.00 0.00 175.10 174.81 3i9l s MET 75 N 0.80 2.17 0.29 2.72 0.00 0.09 -1.50 119.30 123.87 3i9l s MET 75 Ca 0.54 -0.90 0.11 0.00 0.00 0.00 0.00 55.69 55.44 3i9l s MET 75 Cb -0.25 -2.16 -0.05 0.00 0.00 0.00 0.00 34.83 32.37 3i9l s MET 75 CO 0.29 0.57 -0.16 -0.06 0.00 0.00 0.00 175.02 175.66 3i9l s PHE 76 N -0.73 2.36 0.09 4.11 0.08 0.11 -4.53 117.98 119.47 3i9l s PHE 76 Ca 0.11 -0.34 -0.14 0.00 0.12 0.00 0.00 56.93 56.69 3i9l s PHE 76 Cb -0.10 -1.08 0.02 0.00 -0.57 0.00 0.00 43.02 41.29 3i9l s PHE 76 CO 0.01 0.68 0.33 1.67 -0.10 0.00 0.00 175.22 177.81 3i9l s TRP 77 N -2.50 -0.10 -0.03 0.36 1.48 -1.26 -1.19 118.94 115.70 3i9l s TRP 77 Ca 0.31 -0.17 -0.01 0.00 -1.06 0.00 0.00 56.10 55.17 3i9l s TRP 77 Cb -0.04 0.14 0.03 0.00 -1.16 0.00 0.00 33.47 32.43 3i9l s TRP 77 CO 0.16 -0.60 0.04 -1.12 -4.06 0.00 0.00 176.95 171.37 3i9l s SER 78 N -2.54 0.75 0.00 -2.66 0.01 -0.23 -4.77 113.70 104.26 3i9l s SER 78 Ca 0.00 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.32 3i9l s SER 78 Cb 0.02 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.11 3i9l s SER 78 CO -0.09 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.98 3i9l n GLY 79 N 4.84 1.40 2.61 3.44 0.00 -1.26 -3.31 105.19 112.91 3i9l n GLY 79 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 3i9l n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9l n VAL 80 N -2.00 1.37 -0.16 1.61 0.24 -1.26 -4.79 118.33 113.34 3i9l n VAL 80 Ca 0.00 -3.54 -0.03 0.00 -2.04 0.00 0.00 64.34 58.73 3i9l n VAL 80 Cb 0.00 0.18 0.06 0.00 -1.47 0.00 0.00 33.84 32.61 3i9l n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3i9l h TYR 81 N 2.87 0.19 -0.23 6.34 5.03 -1.96 -0.57 116.97 128.64 3i9l h TYR 81 Ca 0.01 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.20 3i9l h TYR 81 Cb 1.12 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.39 3i9l h TYR 81 CO 0.59 0.02 -0.42 -0.44 -1.32 0.00 0.00 178.16 176.58 3i9l h ASP 82 N 0.25 0.77 -0.47 -2.11 3.32 -1.99 -1.48 116.42 114.71 3i9l h ASP 82 Ca 0.24 -0.54 -0.10 0.00 0.02 0.00 0.00 57.03 56.65 3i9l h ASP 82 Cb 0.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3i9l h ASP 82 CO -0.30 1.16 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.95 3i9l h GLU 83 N 0.40 0.94 -0.38 3.56 3.07 -1.92 -0.26 114.58 119.99 3i9l h GLU 83 Ca 0.01 -0.33 -0.08 0.00 -0.50 0.00 0.00 59.36 58.47 3i9l h GLU 83 Cb 1.02 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 3i9l h GLU 83 CO 0.09 0.98 -0.07 0.00 -1.40 0.00 0.00 179.01 178.62 3i9l h ALA 84 N 1.04 0.52 -0.25 3.43 0.00 -1.01 -1.21 119.26 121.78 3i9l h ALA 84 Ca 0.14 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 3i9l h ALA 84 Cb 0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i9l h ALA 84 CO 0.04 0.35 -0.42 0.45 0.00 0.00 0.00 179.25 179.68 3i9l h HIS 85 N 0.52 0.73 -0.57 0.00 3.86 -1.16 -1.00 115.15 117.52 3i9l h HIS 85 Ca 0.10 -0.22 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 3i9l h HIS 85 Cb 0.57 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3i9l h HIS 85 CO 0.05 0.93 0.20 -0.44 0.86 0.00 0.00 177.93 179.53 3i9l h ASP 86 N 0.50 0.81 -0.37 2.45 3.32 -0.93 -1.64 116.42 120.55 3i9l h ASP 86 Ca 0.04 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 56.78 3i9l h ASP 86 Cb 0.94 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3i9l h ASP 86 CO 0.08 0.78 -0.23 0.22 -1.72 0.00 0.00 179.24 178.37 3i9l h TYR 87 N 0.79 1.00 -0.23 4.55 3.20 -1.09 -2.85 116.97 122.34 3i9l h TYR 87 Ca 0.19 -0.24 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 3i9l h TYR 87 Cb 0.24 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3i9l h TYR 87 CO 0.01 1.01 -0.12 0.00 -1.64 0.00 0.00 178.16 177.42 3i9l h ALA 88 N 0.98 1.37 -4.16 1.82 0.00 -1.04 -3.43 119.26 114.81 3i9l h ALA 88 Ca 0.10 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3i9l h ALA 88 Cb 0.78 -0.11 0.10 0.00 0.00 0.00 0.00 17.79 18.56 3i9l h ALA 88 CO 0.06 0.43 -0.45 -1.71 0.00 0.00 0.00 179.25 177.58 3i9l n ASN 89 N -4.24 -2.91 -4.10 0.00 4.05 -0.63 -1.24 115.26 106.18 3i9l n ASN 89 Ca 0.00 -0.37 -0.31 0.00 0.45 0.00 0.00 54.58 54.36 3i9l n ASN 89 Cb 0.29 -3.11 -0.03 0.00 1.23 0.00 0.00 39.78 38.16 3i9l n ASN 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 3i9l n THR 90 N -2.66 -1.98 0.00 -0.44 -1.04 -1.26 -1.18 114.28 105.73 3i9l n THR 90 Ca -0.12 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 3i9l n THR 90 Cb 0.59 -2.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 3i9l n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9l n GLY 91 N -1.76 1.94 0.20 3.41 0.00 -1.10 -4.90 105.19 102.98 3i9l n GLY 91 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3i9l n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i9l h ARG 92 N 3.03 0.51 0.00 1.61 3.08 -1.15 -3.39 114.38 118.08 3i9l h ARG 92 Ca 0.00 -0.35 -0.30 0.00 0.07 0.00 0.00 59.98 59.40 3i9l h ARG 92 Cb 0.00 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 3i9l h ARG 92 CO 0.00 0.97 -2.00 1.17 -1.07 0.00 0.00 179.97 179.04 3i9l n LYS 93 N -3.92 0.39 -4.25 0.04 4.81 -0.38 -5.03 118.16 109.81 3i9l n LYS 93 Ca -0.04 0.16 -0.14 0.00 -0.87 0.00 0.00 58.31 57.42 3i9l n LYS 93 Cb 0.64 -1.17 -0.10 0.00 0.02 0.00 0.00 35.03 34.42 3i9l n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3i9l s TYR 94 N -2.33 1.27 0.01 5.64 2.02 -0.84 -4.90 117.35 118.21 3i9l s TYR 94 Ca -0.25 -0.92 -0.19 0.00 -0.37 0.00 0.00 57.07 55.34 3i9l s TYR 94 Cb 0.09 -0.71 -0.06 0.00 -0.40 0.00 0.00 41.96 40.89 3i9l s TYR 94 CO 0.33 -0.10 0.54 0.42 -1.57 0.00 0.00 175.55 175.17 3i9l s ILE 95 N -3.52 4.91 0.38 2.71 -1.09 0.44 -2.72 121.20 122.30 3i9l s ILE 95 Ca 0.22 1.13 0.08 0.00 -2.23 0.00 0.00 60.65 59.85 3i9l s ILE 95 Cb 0.05 -3.87 -0.06 0.00 -1.58 0.00 0.00 42.46 37.00 3i9l s ILE 95 CO 0.03 0.48 0.07 0.42 -1.23 0.00 0.00 174.94 174.71 3i9l s THR 96 N -0.53 2.38 0.40 2.92 -4.23 -1.26 -0.73 115.64 114.59 3i9l s THR 96 Ca 0.28 -1.88 0.11 0.00 -1.18 0.00 0.00 61.69 59.03 3i9l s THR 96 Cb -0.18 -2.91 0.32 0.00 1.34 0.00 0.00 72.50 71.07 3i9l s THR 96 CO 0.16 -0.09 1.94 0.25 -0.54 0.00 0.00 174.62 176.35 3i9l h LEU 97 N 1.66 0.50 -0.67 4.79 5.85 -1.97 -0.81 115.31 124.66 3i9l h LEU 97 Ca -0.43 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3i9l h LEU 97 Cb 1.25 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3i9l h LEU 97 CO 0.71 0.29 0.00 -0.62 -0.34 0.00 0.00 178.44 178.48 3i9l n GLU 98 N -4.49 0.15 0.03 1.25 4.71 -1.26 -1.72 120.64 119.31 3i9l n GLU 98 Ca 0.12 0.43 0.12 0.00 -0.01 0.00 0.00 57.16 57.82 3i9l n GLU 98 Cb 0.38 -1.81 0.18 0.00 -1.01 0.00 0.00 31.44 29.18 3i9l n GLU 98 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3i9l n ASP 99 N -2.09 0.60 -4.88 1.62 8.00 -0.31 -3.13 116.55 116.36 3i9l n ASP 99 Ca 0.02 -0.07 -0.30 0.00 0.71 0.00 0.00 54.79 55.15 3i9l n ASP 99 Cb 0.18 0.29 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 3i9l n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i9l s THR 100 N -3.11 4.28 0.13 -3.53 -4.23 -0.70 -4.81 115.64 103.68 3i9l s THR 100 Ca 0.08 0.59 -0.25 0.00 -1.18 0.00 0.00 61.69 60.93 3i9l s THR 100 Cb 0.15 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 3i9l s THR 100 CO 0.72 -0.90 1.63 0.25 -0.54 0.00 0.00 174.62 175.79 3i9l h LEU 101 N -0.33 -0.81 -0.78 4.79 5.85 -1.85 0.24 115.31 122.43 3i9l h LEU 101 Ca -0.45 0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.27 3i9l h LEU 101 Cb 1.22 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 3i9l h LEU 101 CO 0.62 -0.32 -0.40 1.55 -0.34 0.00 0.00 178.44 179.55 3i9l h PRO 102 N -0.37 0.44 -0.11 5.25 0.13 -1.88 -0.13 132.00 135.33 3i9l h PRO 102 Ca 0.08 -0.22 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3i9l h PRO 102 Cb 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 3i9l h PRO 102 CO -0.28 0.77 0.06 0.78 -0.23 0.00 0.00 178.00 179.10 3i9l h GLY 103 N 1.12 0.16 1.01 1.56 0.00 -1.52 -2.02 103.07 103.37 3i9l h GLY 103 Ca 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3i9l h GLY 103 CO 0.07 0.06 0.28 -1.82 0.00 0.00 0.00 176.54 175.13 3i9l h TYR 104 N 0.10 0.98 -0.47 5.60 5.03 -0.28 0.13 116.97 128.07 3i9l h TYR 104 Ca 0.04 -0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.23 3i9l h TYR 104 Cb 0.04 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.01 3i9l h TYR 104 CO -0.05 0.76 0.08 0.52 -1.32 0.00 0.00 178.16 178.15 3i9l h MET 105 N 0.91 0.77 -0.03 1.82 2.86 -0.83 -3.24 114.93 117.19 3i9l h MET 105 Ca 0.22 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3i9l h MET 105 Cb 0.18 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3i9l h MET 105 CO -0.02 0.78 0.00 1.28 1.06 0.00 0.00 176.91 180.01 3i9l n LEU 106 N -4.45 2.66 -4.67 1.22 7.99 -0.78 -4.79 117.00 114.18 3i9l n LEU 106 Ca 0.01 -1.00 -0.56 0.00 -0.01 0.00 0.00 56.01 54.44 3i9l n LEU 106 Cb 0.24 -0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.48 3i9l n LEU 106 CO 0.40 0.46 1.17 -3.20 -1.51 0.00 0.00 177.39 174.70 3i9l n ASN 107 N 1.12 2.06 0.00 -1.43 2.85 0.03 -1.45 115.26 118.44 3i9l n ASN 107 Ca 0.12 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.68 3i9l n ASN 107 Cb 0.50 -1.14 0.00 0.00 1.24 0.00 0.00 39.78 40.37 3i9l n ASN 107 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 3i9l n SER 108 N 4.32 -4.40 -4.93 1.20 7.64 -1.26 -5.00 113.62 111.19 3i9l n SER 108 Ca 0.24 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.86 3i9l n SER 108 Cb 0.14 -2.50 0.01 0.00 -1.01 0.00 0.00 64.21 60.85 3i9l n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i9l s LEU 109 N 0.00 3.59 -0.05 -3.43 1.43 -0.53 -5.03 118.68 114.66 3i9l s LEU 109 Ca 0.00 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 3i9l s LEU 109 Cb 0.00 -3.50 0.02 0.00 0.03 0.00 0.00 46.19 42.74 3i9l s LEU 109 CO 0.00 -0.70 -0.06 -0.69 0.23 0.00 0.00 176.35 175.12 3i9l s VAL 110 N -2.69 0.70 0.16 -1.59 1.01 -1.26 -4.97 120.40 111.76 3i9l s VAL 110 Ca 0.48 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 3i9l s VAL 110 Cb -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.59 3i9l s VAL 110 CO 0.42 0.26 0.39 -1.66 0.00 0.00 0.00 175.10 174.51 3i9l s TRP 111 N 0.90 0.06 -0.02 5.22 -2.14 -1.26 -0.73 118.94 120.96 3i9l s TRP 111 Ca -0.11 -0.42 -0.29 0.00 2.66 0.00 0.00 56.10 57.94 3i9l s TRP 111 Cb -0.15 0.18 0.08 0.00 -3.10 0.00 0.00 33.47 30.49 3i9l s TRP 111 CO 0.01 -0.78 0.73 0.00 -2.66 0.00 0.00 176.95 174.24 3i9l s GLY 113 N -1.56 1.65 0.18 0.00 0.00 -1.26 -1.08 107.32 105.26 3i9l s GLY 113 Ca -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.52 3i9l s GLY 113 CO 0.03 0.22 0.17 -0.86 0.00 0.00 0.00 173.10 172.66 3i9l s GLN 114 N -5.17 1.15 0.06 2.90 -2.07 -0.77 -3.14 119.66 112.62 3i9l s GLN 114 Ca 0.57 -1.46 -0.08 0.00 -1.82 0.00 0.00 55.36 52.58 3i9l s GLN 114 Cb -0.12 0.30 -0.30 0.00 -1.09 0.00 0.00 33.01 31.80 3i9l s GLN 114 CO 0.54 -0.38 1.11 0.00 -1.32 0.00 0.00 175.29 175.23 3i9l h ARG 115 N 2.64 0.36 -7.26 9.60 2.47 -1.82 -2.09 114.38 118.28 3i9l h ARG 115 Ca -0.34 -0.61 -0.50 0.00 -1.26 0.00 0.00 59.98 57.27 3i9l h ARG 115 Cb 1.23 0.22 0.05 0.00 -1.65 0.00 0.00 29.97 29.82 3i9l h ARG 115 CO 0.52 1.29 0.37 0.00 0.56 0.00 0.00 179.97 182.70 3i9l s ALA 116 N -2.66 3.14 0.30 0.04 0.00 -1.26 -4.71 121.76 116.60 3i9l s ALA 116 Ca -0.06 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.54 3i9l s ALA 116 Cb 0.06 -3.02 -0.14 0.00 0.00 0.00 0.00 23.12 20.02 3i9l s ALA 116 CO 0.90 -0.54 1.07 0.09 0.00 0.00 0.00 175.76 177.28 3i9l n ASN 117 N -2.42 1.61 -1.59 0.00 3.02 -1.26 -0.18 115.26 114.43 3i9l n ASN 117 Ca 0.05 1.18 0.06 0.00 -0.03 0.00 0.00 54.58 55.84 3i9l n ASN 117 Cb 0.54 -1.33 0.32 0.00 -0.61 0.00 0.00 39.78 38.70 3i9l n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3i9l n PRO 118 N 0.72 4.05 -0.19 3.52 -0.04 -1.26 -4.90 135.00 136.90 3i9l n PRO 118 Ca 0.09 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 3i9l n PRO 118 Cb 0.33 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 3i9l n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9l n GLY 119 N 0.51 0.70 3.17 0.55 0.00 0.75 -4.88 105.19 105.99 3i9l n GLY 119 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 3i9l n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i9l s PHE 120 N -2.46 0.14 -0.30 1.61 -0.71 -1.26 -1.05 117.98 113.94 3i9l s PHE 120 Ca 0.00 -0.45 -0.14 0.00 -1.04 0.00 0.00 56.93 55.30 3i9l s PHE 120 Cb 0.00 -0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.70 3i9l s PHE 120 CO 0.00 -0.45 0.31 1.21 -1.34 0.00 0.00 175.22 174.96 3i9l s ASN 121 N -2.36 6.15 0.00 1.98 3.84 -0.24 -4.64 114.94 119.67 3i9l s ASN 121 Ca -0.02 -0.03 0.23 0.00 0.21 0.00 0.00 52.86 53.25 3i9l s ASN 121 Cb 0.01 -2.18 0.57 0.00 -0.55 0.00 0.00 41.25 39.10 3i9l s ASN 121 CO -0.06 -0.21 1.47 -0.62 -2.79 0.00 0.00 177.10 174.88 3i9l n GLU 122 N 5.26 2.12 -0.06 0.43 1.02 -1.26 -4.36 120.64 123.78 3i9l n GLU 122 Ca -0.10 -1.67 -0.10 0.00 -0.02 0.00 0.00 57.16 55.27 3i9l n GLU 122 Cb 0.50 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.41 3i9l n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i9l n LYS 123 N 0.92 0.32 -3.63 3.49 4.76 -1.26 -4.74 118.16 118.01 3i9l n LYS 123 Ca 0.17 0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.58 3i9l n LYS 123 Cb 0.48 -1.22 -0.07 0.00 -1.84 0.00 0.00 35.03 32.38 3i9l n LYS 123 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i9l s VAL 124 N -2.26 0.00 0.14 -0.18 0.11 -1.26 -4.43 120.40 112.52 3i9l s VAL 124 Ca -0.17 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 58.97 3i9l s VAL 124 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 3i9l s VAL 124 CO 0.29 0.00 -0.21 0.00 -3.33 0.00 0.00 175.10 171.85 3i9l s PRO 126 N -2.31 3.67 0.58 0.00 0.02 -1.26 -0.00 135.00 135.69 3i9l s PRO 126 Ca 0.12 1.93 -0.19 0.00 0.02 0.00 0.00 61.00 62.89 3i9l s PRO 126 Cb -0.08 -2.44 -0.06 0.00 0.02 0.00 0.00 34.50 31.93 3i9l s PRO 126 CO 0.06 -0.67 0.82 -3.47 -0.33 0.00 0.00 177.00 173.41 3i9l n ASP 127 N -0.49 0.18 0.23 2.53 -0.08 -1.26 -4.54 116.55 113.13 3i9l n ASP 127 Ca 0.07 0.79 0.16 0.00 -1.51 0.00 0.00 54.79 54.30 3i9l n ASP 127 Cb 0.47 -1.31 0.65 0.00 2.34 0.00 0.00 41.12 43.26 3i9l n ASP 127 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3i9l h PHE 128 N 0.45 0.00 0.00 -0.67 -1.00 -1.97 -2.44 116.94 111.31 3i9l h PHE 128 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 3i9l h PHE 128 Cb 1.37 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.93 3i9l h PHE 128 CO 0.35 0.00 -0.40 1.63 -1.61 0.00 0.00 178.31 178.28 3i9l n LYS 129 N -2.78 0.12 0.24 1.51 5.02 -1.26 -3.46 118.16 117.55 3i9l n LYS 129 Ca 0.01 0.05 0.14 0.00 -2.02 0.00 0.00 58.31 56.48 3i9l n LYS 129 Cb 0.26 -1.59 0.43 0.00 -0.02 0.00 0.00 35.03 34.10 3i9l n LYS 129 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3i9l h THR 130 N 0.00 0.10 -2.65 -0.18 1.35 -1.79 -3.45 112.91 106.29 3i9l h THR 130 Ca 0.00 -0.85 -0.46 0.00 -0.55 0.00 0.00 66.41 64.55 3i9l h THR 130 Cb 0.60 1.78 0.03 0.00 -1.73 0.00 0.00 68.15 68.83 3i9l h THR 130 CO 0.00 0.05 -0.11 0.00 -0.25 0.00 0.00 175.52 175.21 3i9l s PRO 132 N -4.54 2.96 0.24 0.00 0.02 -1.26 -4.70 135.00 127.72 3i9l s PRO 132 Ca 0.49 1.73 -0.05 0.00 0.02 0.00 0.00 61.00 63.20 3i9l s PRO 132 Cb -0.10 -1.94 0.45 0.00 0.02 0.00 0.00 34.50 32.93 3i9l s PRO 132 CO 0.37 -1.19 1.72 -0.24 -0.33 0.00 0.00 177.00 177.33 3i9l h VAL 133 N 0.77 0.62 0.00 3.83 3.04 -1.95 0.38 116.25 122.93 3i9l h VAL 133 Ca -0.50 -0.13 -0.02 0.00 -1.01 0.00 0.00 66.70 65.04 3i9l h VAL 133 Cb 1.29 0.20 -0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3i9l h VAL 133 CO 0.55 0.07 -0.10 0.06 -1.01 0.00 0.00 177.57 177.14 3i9l h GLN 134 N 0.38 0.00 0.10 4.17 -0.00 -1.92 0.51 115.11 118.36 3i9l h GLN 134 Ca 0.41 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.88 3i9l h GLN 134 Cb 0.64 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.14 3i9l h GLN 134 CO -0.43 0.10 -0.74 0.00 -0.00 0.00 0.00 178.83 177.76 3i9l h ALA 135 N 1.90 -0.05 -0.78 0.06 0.00 -0.95 -2.88 119.26 116.56 3i9l h ALA 135 Ca -0.00 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.27 3i9l h ALA 135 Cb 0.27 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3i9l h ALA 135 CO 0.01 0.36 0.52 0.00 0.00 0.00 0.00 179.25 180.14 3i9l h ARG 136 N -0.31 1.01 -0.36 0.00 3.08 -0.60 -2.56 114.38 114.63 3i9l h ARG 136 Ca -0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3i9l h ARG 136 Cb 1.54 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3i9l h ARG 136 CO 0.14 0.67 0.00 0.39 -1.07 0.00 0.00 179.97 180.10 3i9l n GLU 137 N -4.43 2.35 -0.17 0.04 1.02 0.13 -4.61 120.64 114.97 3i9l n GLU 137 Ca 0.09 -2.04 -0.05 0.00 -0.02 0.00 0.00 57.16 55.14 3i9l n GLU 137 Cb 0.05 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.03 3i9l n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i9l h SER 138 N 3.96 0.42 0.12 1.62 0.87 -1.22 0.22 113.55 119.54 3i9l h SER 138 Ca 0.00 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3i9l h SER 138 Cb 0.87 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3i9l h SER 138 CO 0.00 0.29 -0.06 0.15 -0.53 0.00 0.00 176.83 176.69 3i9l h PHE 139 N 0.55 -0.15 0.00 2.24 3.57 -1.81 -2.87 116.94 118.47 3i9l h PHE 139 Ca 0.22 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3i9l h PHE 139 Cb 0.09 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3i9l h PHE 139 CO -0.09 -0.09 -0.30 -1.49 -2.23 0.00 0.00 178.31 174.11 3i9l h TRP 140 N -0.85 0.00 -0.25 0.41 4.06 -1.87 0.95 115.95 118.40 3i9l h TRP 140 Ca -0.02 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.86 3i9l h TRP 140 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3i9l h TRP 140 CO 0.01 0.30 -0.13 0.78 -3.56 0.00 0.00 178.44 175.84 3i9l h GLY 141 N 2.03 0.57 1.39 1.49 0.00 -0.71 -0.59 103.07 107.26 3i9l h GLY 141 Ca -0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 3i9l h GLY 141 CO 0.04 0.47 -0.16 1.98 0.00 0.00 0.00 176.54 178.87 3i9l h MET 142 N 0.25 0.71 -0.19 4.80 1.85 -1.24 -0.67 114.93 120.43 3i9l h MET 142 Ca 0.05 -0.25 0.03 0.00 -0.61 0.00 0.00 59.70 58.92 3i9l h MET 142 Cb 0.64 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.59 3i9l h MET 142 CO 0.04 0.84 0.02 0.00 -0.40 0.00 0.00 176.91 177.40 3i9l h ALA 143 N 1.18 0.18 -0.69 0.39 0.00 -0.74 0.09 119.26 119.68 3i9l h ALA 143 Ca 0.10 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3i9l h ALA 143 Cb 0.63 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3i9l h ALA 143 CO 0.04 -0.42 0.17 0.77 0.00 0.00 0.00 179.25 179.82 3i9l h SER 144 N 0.09 1.03 -0.29 0.00 0.02 -0.88 -1.59 113.55 111.92 3i9l h SER 144 Ca 0.09 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 3i9l h SER 144 Cb 0.10 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3i9l h SER 144 CO -0.14 0.98 0.04 0.28 -1.14 0.00 0.00 176.83 176.85 3i9l h SER 145 N 1.04 0.47 -0.47 3.07 0.02 -0.64 -0.42 113.55 116.62 3i9l h SER 145 Ca 0.22 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3i9l h SER 145 Cb 0.35 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3i9l h SER 145 CO 0.00 0.62 0.15 -1.28 -1.14 0.00 0.00 176.83 175.18 3i9l h SER 146 N 0.30 0.68 0.25 3.07 0.87 -0.91 -1.40 113.55 116.41 3i9l h SER 146 Ca 0.09 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3i9l h SER 146 Cb 0.36 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3i9l h SER 146 CO 0.01 0.70 -0.17 0.22 -0.53 0.00 0.00 176.83 177.05 3i9l h TYR 147 N 0.62 -0.45 -0.74 2.24 3.20 -1.25 -2.49 116.97 118.09 3i9l h TYR 147 Ca 0.15 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.11 3i9l h TYR 147 Cb 0.26 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 3i9l h TYR 147 CO 0.01 -0.27 0.40 0.00 -1.64 0.00 0.00 178.16 176.66 3i9l h ALA 148 N 0.31 1.03 0.00 1.82 0.00 -0.98 -0.98 119.26 120.47 3i9l h ALA 148 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i9l h ALA 148 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i9l h ALA 148 CO 0.01 0.01 -0.06 1.25 0.00 0.00 0.00 179.25 180.46 3i9l h HIS 149 N 0.67 0.00 0.00 0.00 -0.00 -1.05 -1.87 115.15 112.90 3i9l h HIS 149 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.73 3i9l h HIS 149 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 3i9l h HIS 149 CO -0.09 0.06 -0.39 0.43 -0.00 0.00 0.00 177.93 177.94 3i9l n SER 150 N -3.60 0.39 -4.77 3.26 7.64 -0.40 -4.70 113.62 111.44 3i9l n SER 150 Ca -0.02 -0.09 -0.39 0.00 1.01 0.00 0.00 58.87 59.38 3i9l n SER 150 Cb 0.17 0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.44 3i9l n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i9l s ALA 151 N -3.00 3.23 0.01 -0.43 0.00 -0.70 -4.30 121.76 116.57 3i9l s ALA 151 Ca 0.12 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.07 3i9l s ALA 151 Cb 0.18 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 3i9l s ALA 151 CO 0.66 -0.49 -0.04 -1.21 0.00 0.00 0.00 175.76 174.69 3i9l s GLU 152 N -2.13 0.31 3.14 0.00 2.02 -1.26 -4.27 118.70 116.51 3i9l s GLU 152 Ca 0.54 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.14 3i9l s GLU 152 Cb -0.32 -0.13 0.00 0.00 0.10 0.00 0.00 34.13 33.79 3i9l s GLU 152 CO 0.40 0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.12 3i9l n GLY 153 N 2.25 -0.20 3.74 -1.39 0.00 -0.41 -1.11 105.19 108.07 3i9l n GLY 153 Ca -0.18 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 3i9l n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9l s GLU 154 N 0.00 4.72 0.17 1.61 2.02 -1.26 -1.58 118.70 124.38 3i9l s GLU 154 Ca 0.00 1.55 0.09 0.00 0.02 0.00 0.00 54.97 56.63 3i9l s GLU 154 Cb 0.00 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3i9l s GLU 154 CO 0.00 0.28 -0.12 0.14 0.02 0.00 0.00 175.26 175.58 3i9l s VAL 155 N -0.52 3.05 0.01 2.63 -7.23 -0.44 -3.74 120.40 114.16 3i9l s VAL 155 Ca 0.45 -1.67 0.08 0.00 -1.81 0.00 0.00 61.98 59.03 3i9l s VAL 155 Cb -0.26 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 3i9l s VAL 155 CO 0.33 -0.08 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.91 3i9l s THR 156 N -1.62 1.89 -0.11 5.32 2.01 -0.56 -0.54 115.64 122.03 3i9l s THR 156 Ca 0.23 -1.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 3i9l s THR 156 Cb -0.09 -1.60 0.03 0.00 0.01 0.00 0.00 72.50 70.86 3i9l s THR 156 CO 0.14 0.41 -0.01 -0.47 -0.69 0.00 0.00 174.62 174.00 3i9l s TYR 157 N -0.67 0.97 -0.17 4.92 5.04 -0.07 0.04 117.35 127.41 3i9l s TYR 157 Ca 0.09 -0.47 -0.07 0.00 -2.44 0.00 0.00 57.07 54.19 3i9l s TYR 157 Cb -0.09 -0.96 -0.04 0.00 0.35 0.00 0.00 41.96 41.22 3i9l s TYR 157 CO 0.00 -0.44 0.05 1.41 -1.34 0.00 0.00 175.55 175.23 3i9l s MET 158 N 1.88 3.89 0.21 4.97 -2.45 -0.33 -0.61 119.30 126.85 3i9l s MET 158 Ca 0.04 -0.37 0.07 0.00 -1.25 0.00 0.00 55.69 54.18 3i9l s MET 158 Cb -0.13 -3.15 -0.05 0.00 1.25 0.00 0.00 34.83 32.74 3i9l s MET 158 CO -0.06 0.30 -0.13 0.14 1.05 0.00 0.00 175.02 176.31 3i9l s VAL 159 N 0.28 1.70 -0.36 10.11 -7.23 -0.26 -1.06 120.40 123.58 3i9l s VAL 159 Ca 0.03 -2.20 -0.22 0.00 -1.81 0.00 0.00 61.98 57.78 3i9l s VAL 159 Cb -0.13 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.74 3i9l s VAL 159 CO 0.01 -0.57 0.72 -0.62 -0.31 0.00 0.00 175.10 174.32 3i9l s ASP 160 N -3.32 6.50 -0.15 4.85 -1.08 -1.21 -0.69 116.67 121.57 3i9l s ASP 160 Ca 0.23 0.26 0.17 0.00 -0.52 0.00 0.00 52.55 52.69 3i9l s ASP 160 Cb -0.00 -2.37 0.72 0.00 -1.46 0.00 0.00 42.92 39.81 3i9l s ASP 160 CO 0.07 -0.67 1.63 0.61 0.52 0.00 0.00 175.17 177.33 3i9l n GLY 161 N 4.59 2.96 0.85 2.66 0.00 0.10 -4.10 105.19 112.24 3i9l n GLY 161 Ca 0.01 -0.87 0.05 0.00 0.00 0.00 0.00 46.02 45.20 3i9l n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i9l n SER 162 N 0.80 1.16 -4.24 1.61 7.64 -1.25 -0.72 113.62 118.62 3i9l n SER 162 Ca 0.25 -2.65 -0.41 0.00 1.01 0.00 0.00 58.87 57.08 3i9l n SER 162 Cb 0.96 -0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 63.71 3i9l n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3i9l s ASN 163 N -2.23 5.68 0.19 6.43 3.84 -1.26 -4.80 114.94 122.79 3i9l s ASN 163 Ca 0.27 -1.70 0.17 0.00 0.21 0.00 0.00 52.86 51.82 3i9l s ASN 163 Cb 0.29 -2.00 0.80 0.00 -0.55 0.00 0.00 41.25 39.78 3i9l s ASN 163 CO -0.08 -0.61 1.52 -0.81 -2.79 0.00 0.00 177.10 174.32 3i9l n PRO 164 N 4.92 0.11 -0.01 0.43 -0.04 -1.26 -2.80 135.00 136.34 3i9l n PRO 164 Ca -0.09 0.49 0.10 0.00 -0.04 0.00 0.00 63.50 63.96 3i9l n PRO 164 Cb 0.42 -1.77 -0.15 0.00 -0.04 0.00 0.00 33.50 31.96 3i9l n PRO 164 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i9l n LYS 165 N -1.99 0.61 -3.84 0.54 5.02 -1.26 -4.94 118.16 112.30 3i9l n LYS 165 Ca 0.01 -0.16 -0.21 0.00 -2.02 0.00 0.00 58.31 55.92 3i9l n LYS 165 Cb 0.11 -1.46 -0.17 0.00 -0.02 0.00 0.00 35.03 33.49 3i9l n LYS 165 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9l s VAL 166 N -3.30 0.33 0.68 -0.18 1.01 -1.12 -5.12 120.40 112.70 3i9l s VAL 166 Ca -0.05 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 3i9l s VAL 166 Cb 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3i9l s VAL 166 CO 0.81 0.23 1.20 -2.65 0.00 0.00 0.00 175.10 174.69 3i9l n PRO 167 N 4.87 0.85 -0.20 2.72 -0.02 -1.26 -4.66 135.00 137.29 3i9l n PRO 167 Ca -0.12 0.35 -0.03 0.00 -2.02 0.00 0.00 63.50 61.68 3i9l n PRO 167 Cb 0.50 -2.43 0.07 0.00 -0.02 0.00 0.00 33.50 31.62 3i9l n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9l h ALA 168 N 0.17 0.78 -3.30 3.55 0.00 -1.90 -3.38 119.26 115.18 3i9l h ALA 168 Ca -0.49 0.01 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 3i9l h ALA 168 Cb 1.34 -0.12 -0.31 0.00 0.00 0.00 0.00 17.79 18.69 3i9l h ALA 168 CO 0.51 0.02 -0.84 -0.47 0.00 0.00 0.00 179.25 178.47 3i9l s TYR 169 N -6.12 2.66 -0.04 0.00 5.04 -1.26 -4.61 117.35 113.03 3i9l s TYR 169 Ca -0.13 -0.97 0.04 0.00 -2.44 0.00 0.00 57.07 53.57 3i9l s TYR 169 Cb 0.15 -1.78 -0.00 0.00 0.35 0.00 0.00 41.96 40.67 3i9l s TYR 169 CO 0.75 -0.39 -0.17 1.03 -1.34 0.00 0.00 175.55 175.43 3i9l s ARG 170 N 0.45 1.73 0.53 4.97 0.52 -1.26 -4.80 118.95 121.10 3i9l s ARG 170 Ca -0.14 -0.61 0.23 0.00 -0.52 0.00 0.00 55.73 54.69 3i9l s ARG 170 Cb -0.17 -1.52 1.38 0.00 0.52 0.00 0.00 34.95 35.15 3i9l s ARG 170 CO 0.06 0.26 2.04 -1.35 0.02 0.00 0.00 175.30 176.33 3i9l h PRO 171 N 6.19 0.00 -0.64 3.54 0.11 -1.99 -2.48 132.00 136.73 3i9l h PRO 171 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3i9l h PRO 171 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i9l h PRO 171 CO 0.48 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 3i9l n ASP 172 N -4.39 4.46 -4.54 -2.05 3.85 -1.26 -3.02 116.55 109.61 3i9l n ASP 172 Ca 0.06 -2.34 -0.29 0.00 -0.71 0.00 0.00 54.79 51.50 3i9l n ASP 172 Cb 0.45 -0.54 0.15 0.00 -1.35 0.00 0.00 41.12 39.84 3i9l n ASP 172 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3i9l s SER 173 N -0.98 3.26 0.30 -1.12 1.04 -0.93 -4.78 113.70 110.50 3i9l s SER 173 Ca 0.49 0.73 0.01 0.00 0.48 0.00 0.00 55.95 57.66 3i9l s SER 173 Cb 0.30 -1.13 0.49 0.00 0.10 0.00 0.00 66.02 65.78 3i9l s SER 173 CO 0.26 -2.68 1.86 -0.26 0.98 0.00 0.00 173.24 173.39 3i9l h PHE 174 N -1.59 0.75 -0.56 5.02 -1.00 -1.91 0.93 116.94 118.58 3i9l h PHE 174 Ca -0.48 -0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.13 3i9l h PHE 174 Cb 1.30 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.62 3i9l h PHE 174 CO -0.34 0.64 -0.07 0.35 -1.61 0.00 0.00 178.31 177.28 3i9l h PHE 175 N 0.71 1.15 -0.15 -0.55 3.57 -1.89 0.19 116.94 119.96 3i9l h PHE 175 Ca 0.16 -0.23 -0.14 0.00 3.53 0.00 0.00 57.97 61.30 3i9l h PHE 175 Cb 0.27 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3i9l h PHE 175 CO 0.01 1.05 -0.49 0.78 -2.23 0.00 0.00 178.31 177.43 3i9l h GLY 176 N 0.92 0.44 0.75 2.40 0.00 -1.54 0.14 103.07 106.19 3i9l h GLY 176 Ca 0.15 -0.48 -0.36 0.00 0.00 0.00 0.00 47.33 46.65 3i9l h GLY 176 CO 0.04 0.43 -1.89 0.50 0.00 0.00 0.00 176.54 175.62 3i9l h LYS 177 N 0.32 0.32 0.00 4.80 1.57 -0.74 -3.40 116.57 119.44 3i9l h LYS 177 Ca 0.02 -0.54 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3i9l h LYS 177 Cb 0.98 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 3i9l h LYS 177 CO 0.08 1.25 -1.10 0.66 -0.57 0.00 0.00 179.45 179.78 3i9l n TYR 178 N -3.52 0.00 0.00 -1.35 4.01 0.62 -4.67 117.16 112.26 3i9l n TYR 178 Ca -0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 3i9l n TYR 178 Cb 1.06 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 40.04 3i9l n TYR 178 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i9l n GLY 179 N 2.38 0.40 0.31 2.72 0.00 -0.33 -3.90 105.19 106.77 3i9l n GLY 179 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3i9l n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i9l h LEU 180 N 0.00 0.63 -0.72 0.99 5.85 -1.05 0.02 115.31 121.04 3i9l h LEU 180 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3i9l h LEU 180 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3i9l h LEU 180 CO 0.00 0.32 0.00 -2.65 -0.34 0.00 0.00 178.44 175.77 3i9l n PRO 181 N -4.79 0.14 -0.00 5.25 -0.02 -1.26 -2.50 135.00 131.82 3i9l n PRO 181 Ca 0.16 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 62.17 3i9l n PRO 181 Cb 0.36 -1.82 0.07 0.00 -0.02 0.00 0.00 33.50 32.09 3i9l n PRO 181 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i9l n ASN 182 N -2.10 2.31 -4.71 2.55 3.02 -0.02 -4.95 115.26 111.37 3i9l n ASN 182 Ca 0.01 -1.66 -0.42 0.00 -0.03 0.00 0.00 54.58 52.49 3i9l n ASN 182 Cb 0.17 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3i9l n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i9l s LEU 183 N -1.29 4.37 0.71 3.41 1.43 -1.04 -3.45 118.68 122.81 3i9l s LEU 183 Ca 0.18 2.30 -0.01 0.00 -1.03 0.00 0.00 54.13 55.57 3i9l s LEU 183 Cb 0.13 -3.58 0.12 0.00 0.03 0.00 0.00 46.19 42.89 3i9l s LEU 183 CO 0.20 -0.65 0.98 0.42 0.23 0.00 0.00 176.35 177.52 3i9l s THR 184 N 1.20 2.17 -2.00 5.49 -4.23 -1.26 -4.96 115.64 112.05 3i9l s THR 184 Ca 0.64 -0.60 0.16 0.00 -1.18 0.00 0.00 61.69 60.71 3i9l s THR 184 Cb -0.36 -2.57 0.45 0.00 1.34 0.00 0.00 72.50 71.36 3i9l s THR 184 CO 0.30 0.00 1.36 -0.46 -0.54 0.00 0.00 174.62 175.28 3i9l n ASN 185 N -2.79 0.00 0.26 3.99 0.23 -1.26 -1.42 115.26 114.26 3i9l n ASN 185 Ca 0.14 -0.51 0.15 0.00 -0.53 0.00 0.00 54.58 53.83 3i9l n ASN 185 Cb 0.61 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.83 3i9l n ASN 185 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3i9l h LYS 186 N 0.00 0.00 -6.68 -3.83 1.79 -1.93 -3.43 116.57 102.49 3i9l h LYS 186 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 3i9l h LYS 186 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3i9l h LYS 186 CO 0.00 0.03 0.35 0.08 -1.08 0.00 0.00 179.45 178.83 3i9l s VAL 187 N -3.54 4.23 -0.08 0.50 1.01 -0.51 -1.29 120.40 120.72 3i9l s VAL 187 Ca 0.03 2.07 0.10 0.00 0.00 0.00 0.00 61.98 64.18 3i9l s VAL 187 Cb 0.08 -4.32 -0.15 0.00 0.00 0.00 0.00 36.38 31.99 3i9l s VAL 187 CO 0.59 0.44 0.11 0.35 0.00 0.00 0.00 175.10 176.58 3i9l n THR 188 N 1.94 0.53 -3.60 3.92 -2.24 -0.61 -4.86 114.28 109.35 3i9l n THR 188 Ca -0.01 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 61.21 3i9l n THR 188 Cb 0.48 -0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 68.21 3i9l n THR 188 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3i9l s ARG 189 N -2.44 0.88 -0.20 -0.78 3.52 -1.25 -0.72 118.95 117.96 3i9l s ARG 189 Ca -0.05 0.52 -0.04 0.00 -0.13 0.00 0.00 55.73 56.04 3i9l s ARG 189 Cb 0.05 0.42 -0.01 0.00 -1.56 0.00 0.00 34.95 33.84 3i9l s ARG 189 CO 0.47 -0.20 -0.04 0.08 -0.81 0.00 0.00 175.30 174.79 3i9l s VAL 190 N -0.48 3.50 -0.31 7.11 1.01 -0.27 -1.33 120.40 129.62 3i9l s VAL 190 Ca -0.06 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 3i9l s VAL 190 Cb -0.03 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3i9l s VAL 190 CO 0.05 0.44 0.11 -0.54 0.00 0.00 0.00 175.10 175.17 3i9l s LYS 191 N 1.14 3.02 -0.11 2.72 1.02 0.30 -2.12 119.74 125.72 3i9l s LYS 191 Ca 0.02 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 54.98 3i9l s LYS 191 Cb -0.15 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 3i9l s LYS 191 CO -0.00 -0.51 0.25 0.08 -0.92 0.00 0.00 175.35 174.25 3i9l s VAL 192 N 1.51 5.32 -0.21 3.17 1.01 0.11 -0.89 120.40 130.42 3i9l s VAL 192 Ca 0.02 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 3i9l s VAL 192 Cb -0.18 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.67 3i9l s VAL 192 CO 0.04 0.53 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 3i9l s ILE 193 N -0.53 2.65 -0.33 2.22 1.01 0.21 -1.40 121.20 125.03 3i9l s ILE 193 Ca 0.17 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 3i9l s ILE 193 Cb -0.13 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 3i9l s ILE 193 CO 0.06 0.40 0.49 -0.69 0.00 0.00 0.00 174.94 175.20 3i9l s VAL 194 N 1.35 5.04 -0.26 2.92 1.01 0.48 -1.10 120.40 129.84 3i9l s VAL 194 Ca 0.04 0.40 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 3i9l s VAL 194 Cb -0.14 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3i9l s VAL 194 CO -0.08 -0.14 0.79 -0.22 0.00 0.00 0.00 175.10 175.45 3i9l s LEU 195 N 2.33 4.08 -0.42 3.92 2.96 0.13 -0.92 118.68 130.76 3i9l s LEU 195 Ca 0.18 0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 54.91 3i9l s LEU 195 Cb -0.16 -3.11 0.08 0.00 0.50 0.00 0.00 46.19 43.51 3i9l s LEU 195 CO 0.12 -0.51 0.25 -1.00 -1.32 0.00 0.00 176.35 173.89 3i9l s HIS 196 N 2.81 3.36 0.45 5.38 3.76 -1.26 -0.72 115.29 129.07 3i9l s HIS 196 Ca 0.33 -1.62 -0.24 0.00 -0.15 0.00 0.00 55.06 53.38 3i9l s HIS 196 Cb -0.15 -2.98 -0.09 0.00 1.11 0.00 0.00 32.58 30.47 3i9l s HIS 196 CO 0.09 -0.86 1.20 0.54 -0.85 0.00 0.00 174.74 174.85 3i9l n ARG 197 N 4.89 1.69 -2.25 1.40 1.74 -1.26 -4.89 116.66 117.97 3i9l n ARG 197 Ca -0.09 0.61 -0.40 0.00 -0.77 0.00 0.00 57.85 57.19 3i9l n ARG 197 Cb 0.43 -2.31 -0.03 0.00 -1.02 0.00 0.00 32.46 29.53 3i9l n ARG 197 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i9l s LEU 198 N -1.68 4.42 0.00 0.55 1.43 -1.26 -2.70 118.68 119.44 3i9l s LEU 198 Ca 0.64 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 56.24 3i9l s LEU 198 Cb -0.50 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.01 3i9l s LEU 198 CO 0.56 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 177.29 3i9l n GLY 199 N 0.88 2.23 3.92 -3.19 0.00 -1.26 -5.02 105.19 102.74 3i9l n GLY 199 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3i9l n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9l s GLU 200 N -0.14 3.40 0.21 1.61 2.02 -1.10 -5.07 118.70 119.63 3i9l s GLU 200 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 3i9l s GLU 200 Cb 0.00 -2.99 -0.09 0.00 0.10 0.00 0.00 34.13 31.16 3i9l s GLU 200 CO 0.00 0.57 1.23 0.21 0.02 0.00 0.00 175.26 177.29 3i9l s LYS 201 N -2.84 4.46 0.08 1.61 2.20 -1.26 -4.88 119.74 119.11 3i9l s LYS 201 Ca 0.34 1.96 -0.31 0.00 -0.36 0.00 0.00 55.97 57.60 3i9l s LYS 201 Cb -0.12 -3.21 -0.06 0.00 -1.51 0.00 0.00 37.83 32.93 3i9l s LYS 201 CO 0.28 -0.12 1.26 0.42 -0.36 0.00 0.00 175.35 176.83 3i9l s ILE 202 N -0.19 3.79 -0.12 5.43 1.01 -1.26 -4.64 121.20 125.22 3i9l s ILE 202 Ca 0.53 1.28 -0.02 0.00 0.00 0.00 0.00 60.65 62.44 3i9l s ILE 202 Cb -0.34 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 3i9l s ILE 202 CO 0.39 0.10 -0.12 -0.38 0.00 0.00 0.00 174.94 174.93 3i9l n ILE 203 N 3.95 0.66 -4.51 2.92 2.08 0.10 -5.00 119.36 119.55 3i9l n ILE 203 Ca 0.10 -0.22 -0.27 0.00 0.56 0.00 0.00 62.75 62.92 3i9l n ILE 203 Cb 0.45 -1.18 -0.13 0.00 -0.75 0.00 0.00 39.64 38.03 3i9l n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3i9l s GLU 204 N -2.23 1.37 0.05 0.38 2.02 -0.29 -5.01 118.70 115.00 3i9l s GLU 204 Ca -0.16 -1.13 0.02 0.00 0.02 0.00 0.00 54.97 53.71 3i9l s GLU 204 Cb 0.05 -1.64 -0.03 0.00 0.10 0.00 0.00 34.13 32.62 3i9l s GLU 204 CO 0.24 0.40 -0.07 0.15 0.02 0.00 0.00 175.26 176.01 3i9l s LYS 205 N -1.62 0.56 0.42 1.61 1.02 -1.26 -4.80 119.74 115.66 3i9l s LYS 205 Ca 0.09 -0.85 -0.25 0.00 0.02 0.00 0.00 55.97 54.99 3i9l s LYS 205 Cb -0.10 -0.22 -0.10 0.00 -0.52 0.00 0.00 37.83 36.89 3i9l s LYS 205 CO 0.04 0.03 1.12 0.00 -0.92 0.00 0.00 175.35 175.61 3i9l n GLY 207 N 1.03 0.54 3.11 0.00 0.00 -1.26 -4.99 105.19 103.62 3i9l n GLY 207 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 3i9l n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9l s ALA 208 N -2.25 0.40 0.00 4.61 0.00 -1.03 -4.65 121.76 118.85 3i9l s ALA 208 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3i9l s ALA 208 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.42 3i9l s ALA 208 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3i9l n GLY 209 N 0.10 2.97 0.26 0.00 0.00 -1.26 -1.94 105.19 105.32 3i9l n GLY 209 Ca -0.14 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.76 3i9l n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i9l h SER 210 N 5.60 0.00 0.87 1.61 4.64 -1.92 -1.60 113.55 122.75 3i9l h SER 210 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3i9l h SER 210 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3i9l h SER 210 CO 0.00 0.10 -0.55 -0.07 -0.87 0.00 0.00 176.83 175.45 3i9l h LEU 211 N 0.00 0.00 -0.05 5.97 3.38 -1.67 0.39 115.31 123.32 3i9l h LEU 211 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3i9l h LEU 211 Cb 0.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.30 3i9l h LEU 211 CO 0.01 0.55 -0.92 0.25 0.09 0.00 0.00 178.44 178.42 3i9l h LEU 212 N 0.00 0.91 -0.62 1.67 5.85 -0.79 -0.50 115.31 121.82 3i9l h LEU 212 Ca -0.01 -0.70 0.09 0.00 0.84 0.00 0.00 57.88 58.10 3i9l h LEU 212 Cb 1.13 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.82 3i9l h LEU 212 CO 0.07 1.48 0.26 0.44 -0.34 0.00 0.00 178.44 180.34 3i9l h ASP 213 N 0.42 0.29 -0.26 1.25 3.32 -1.17 -1.18 116.42 119.08 3i9l h ASP 213 Ca -0.10 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3i9l h ASP 213 Cb 1.57 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 3i9l h ASP 213 CO 0.18 0.17 0.10 0.25 -1.72 0.00 0.00 179.24 178.22 3i9l h LEU 214 N 0.46 0.36 -0.65 1.55 5.85 -0.80 -1.61 115.31 120.46 3i9l h LEU 214 Ca 0.31 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.96 3i9l h LEU 214 Cb 0.35 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 3i9l h LEU 214 CO -0.28 0.44 0.24 -0.08 -0.34 0.00 0.00 178.44 178.41 3i9l h GLU 215 N 0.26 0.40 -0.58 1.25 4.81 -0.62 0.87 114.58 120.96 3i9l h GLU 215 Ca 0.08 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 3i9l h GLU 215 Cb 0.19 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3i9l h GLU 215 CO -0.01 0.26 -0.04 0.87 -0.73 0.00 0.00 179.01 179.37 3i9l h LYS 216 N 0.41 1.05 -0.49 1.92 1.57 -0.95 -0.85 116.57 119.23 3i9l h LYS 216 Ca 0.34 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3i9l h LYS 216 Cb 0.45 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3i9l h LYS 216 CO -0.34 1.05 0.03 -0.07 -0.57 0.00 0.00 179.45 179.55 3i9l h LEU 217 N 0.95 0.82 -0.56 2.94 3.38 -0.36 -1.02 115.31 121.46 3i9l h LEU 217 Ca 0.16 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3i9l h LEU 217 Cb 0.60 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3i9l h LEU 217 CO 0.04 0.90 0.32 0.58 0.09 0.00 0.00 178.44 180.37 3i9l h VAL 218 N 0.70 1.18 -0.17 1.22 2.07 -0.66 -2.44 116.25 118.15 3i9l h VAL 218 Ca 0.14 -0.43 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 3i9l h VAL 218 Cb 0.46 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3i9l h VAL 218 CO 0.02 0.19 -0.36 0.11 0.02 0.00 0.00 177.57 177.55 3i9l h LYS 219 N 0.75 0.35 0.00 1.57 1.57 -1.01 -2.29 116.57 117.51 3i9l h LYS 219 Ca 0.20 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3i9l h LYS 219 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3i9l h LYS 219 CO -0.03 0.67 -0.19 0.00 -0.57 0.00 0.00 179.45 179.32 3i9l h ALA 220 N 1.33 1.26 -0.13 3.86 0.00 -0.97 0.33 119.26 124.94 3i9l h ALA 220 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i9l h ALA 220 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i9l h ALA 220 CO 0.06 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.18 3i9l n LYS 221 N -3.69 1.52 -1.86 0.00 5.02 -0.91 -4.92 118.16 113.32 3i9l n LYS 221 Ca -0.01 -0.79 -0.12 0.00 -2.02 0.00 0.00 58.31 55.37 3i9l n LYS 221 Cb 0.31 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 3i9l n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i9l n HIS 222 N 0.02 -0.33 -3.58 2.13 8.25 0.11 -5.02 115.22 116.80 3i9l n HIS 222 Ca 0.15 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.30 3i9l n HIS 222 Cb 0.25 -2.53 -0.04 0.00 1.12 0.00 0.00 29.99 28.78 3i9l n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3i9l s PHE 223 N -2.54 3.46 0.83 4.41 0.08 -0.94 -4.98 117.98 118.29 3i9l s PHE 223 Ca 0.00 0.61 -0.12 0.00 0.12 0.00 0.00 56.93 57.54 3i9l s PHE 223 Cb 0.00 -2.05 0.09 0.00 -0.57 0.00 0.00 43.02 40.48 3i9l s PHE 223 CO 0.00 0.36 1.10 0.00 -0.10 0.00 0.00 175.22 176.58 3i9l s ALA 224 N -1.77 2.07 -0.06 5.36 0.00 0.10 -4.13 121.76 123.33 3i9l s ALA 224 Ca 0.42 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 3i9l s ALA 224 Cb -0.12 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.91 3i9l s ALA 224 CO 0.25 -1.89 0.14 0.12 0.00 0.00 0.00 175.76 174.38 3i9l s PHE 225 N -3.12 -0.16 0.17 0.00 5.36 -1.26 -1.12 117.98 117.85 3i9l s PHE 225 Ca 0.61 0.42 -0.03 0.00 -0.96 0.00 0.00 56.93 56.98 3i9l s PHE 225 Cb -0.15 0.00 -0.03 0.00 -0.34 0.00 0.00 43.02 42.50 3i9l s PHE 225 CO 0.55 -0.11 0.14 0.16 -1.46 0.00 0.00 175.22 174.50 3i9l s ASP 226 N 0.51 0.18 -0.18 6.13 1.47 -0.90 -4.99 116.67 118.90 3i9l s ASP 226 Ca -0.04 -1.23 -0.13 0.00 1.18 0.00 0.00 52.55 52.34 3i9l s ASP 226 Cb -0.05 0.37 0.05 0.00 -0.34 0.00 0.00 42.92 42.95 3i9l s ASP 226 CO -0.02 -0.82 0.46 0.00 0.68 0.00 0.00 175.17 175.46 3i9l s VAL 228 N 0.89 0.09 -0.15 0.00 -7.23 -0.49 -4.96 120.40 108.55 3i9l s VAL 228 Ca -0.05 -0.74 -0.03 0.00 -1.81 0.00 0.00 61.98 59.36 3i9l s VAL 228 Cb -0.06 -0.22 -0.02 0.00 0.56 0.00 0.00 36.38 36.64 3i9l s VAL 228 CO -0.07 -0.40 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.64 3i9l s GLU 229 N -1.18 3.57 -1.23 4.82 2.02 -1.26 -0.39 118.70 125.04 3i9l s GLU 229 Ca -0.13 -0.57 -0.27 0.00 0.02 0.00 0.00 54.97 54.03 3i9l s GLU 229 Cb -0.08 -2.82 0.04 0.00 0.10 0.00 0.00 34.13 31.36 3i9l s GLU 229 CO -0.01 0.25 0.50 0.09 0.02 0.00 0.00 175.26 176.11 3i9l n ASN 230 N 3.48 -2.81 -4.65 -0.19 4.13 -0.10 -4.89 115.26 110.23 3i9l n ASN 230 Ca -0.18 -1.25 -0.33 0.00 1.68 0.00 0.00 54.58 54.50 3i9l n ASN 230 Cb 0.53 -1.51 0.13 0.00 -1.54 0.00 0.00 39.78 37.39 3i9l n ASN 230 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3i9l n PRO 231 N -4.80 0.08 -0.21 3.52 -0.04 -1.26 -4.45 135.00 127.83 3i9l n PRO 231 Ca -0.15 0.10 0.02 0.00 -0.04 0.00 0.00 63.50 63.43 3i9l n PRO 231 Cb 0.56 -2.35 0.13 0.00 -0.04 0.00 0.00 33.50 31.80 3i9l n PRO 231 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9l h ARG 232 N -1.03 0.26 -0.86 0.54 3.08 -1.99 0.48 114.38 114.86 3i9l h ARG 232 Ca -0.46 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.61 3i9l h ARG 232 Cb 1.30 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 3i9l h ARG 232 CO 0.44 0.17 0.57 0.00 -1.07 0.00 0.00 179.97 180.08 3i9l h ALA 233 N 1.51 1.44 -0.17 0.04 0.00 -2.00 0.73 119.26 120.81 3i9l h ALA 233 Ca 0.34 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 3i9l h ALA 233 Cb 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i9l h ALA 233 CO -0.43 0.48 -0.48 0.28 0.00 0.00 0.00 179.25 179.10 3i9l h VAL 234 N 1.10 1.33 -0.80 0.00 2.07 -1.32 -2.92 116.25 115.71 3i9l h VAL 234 Ca 0.33 -1.73 0.07 0.00 0.82 0.00 0.00 66.70 66.19 3i9l h VAL 234 Cb -0.02 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 3i9l h VAL 234 CO -0.09 0.54 0.47 0.25 0.02 0.00 0.00 177.57 178.75 3i9l h LEU 235 N 0.31 0.71 -0.84 2.57 5.85 -0.42 -1.60 115.31 121.89 3i9l h LEU 235 Ca -0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3i9l h LEU 235 Cb 1.10 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3i9l h LEU 235 CO 0.10 0.44 0.40 -0.26 -0.34 0.00 0.00 178.44 178.79 3i9l h PHE 236 N 0.84 1.22 -0.47 1.25 0.04 -0.85 0.70 116.94 119.67 3i9l h PHE 236 Ca 0.36 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 61.11 3i9l h PHE 236 Cb 0.23 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 3i9l h PHE 236 CO -0.05 0.88 0.24 1.25 -0.60 0.00 0.00 178.31 180.03 3i9l h LEU 237 N 1.20 0.35 -0.49 1.54 5.85 -1.13 -1.03 115.31 121.60 3i9l h LEU 237 Ca 0.29 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 3i9l h LEU 237 Cb 0.13 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3i9l h LEU 237 CO -0.04 0.24 0.25 -0.07 -0.34 0.00 0.00 178.44 178.49 3i9l h LEU 238 N 0.47 0.63 -1.85 2.25 3.38 -0.72 -2.64 115.31 116.83 3i9l h LEU 238 Ca 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3i9l h LEU 238 Cb 0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3i9l h LEU 238 CO -0.14 0.57 -0.03 0.00 0.09 0.00 0.00 178.44 178.93 3i9l h SER 240 N 0.05 0.68 0.41 0.00 0.87 -0.80 -0.63 113.55 114.12 3i9l h SER 240 Ca 0.01 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3i9l h SER 240 Cb 0.09 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3i9l h SER 240 CO 0.00 0.46 -0.31 0.47 -0.53 0.00 0.00 176.83 176.92 3i9l n ASP 241 N -4.47 0.67 -2.96 6.23 8.00 -0.77 -4.39 116.55 118.85 3i9l n ASP 241 Ca 0.09 -0.50 -0.15 0.00 0.71 0.00 0.00 54.79 54.94 3i9l n ASP 241 Cb 0.16 0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.38 3i9l n ASP 241 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i9l n ASN 242 N -1.08 -1.06 0.29 -2.24 4.05 -0.60 -5.01 115.26 109.61 3i9l n ASN 242 Ca 0.10 -3.19 0.19 0.00 0.45 0.00 0.00 54.58 52.12 3i9l n ASN 242 Cb 0.33 0.63 0.81 0.00 1.23 0.00 0.00 39.78 42.79 3i9l n ASN 242 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3i9l h PRO 243 N 3.48 0.00 -0.09 1.20 0.13 -1.36 -1.78 132.00 133.57 3i9l h PRO 243 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3i9l h PRO 243 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3i9l h PRO 243 CO 0.35 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.21 3i9l n ASN 244 N -3.06 1.42 -4.71 1.44 3.02 -1.26 -4.72 115.26 107.38 3i9l n ASN 244 Ca -0.00 -1.58 -0.41 0.00 -0.03 0.00 0.00 54.58 52.56 3i9l n ASN 244 Cb 0.24 -0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.37 3i9l n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i9l n ALA 245 N 0.13 1.39 -0.33 5.41 0.00 -0.67 -4.88 120.51 121.56 3i9l n ALA 245 Ca 0.17 0.26 0.15 0.00 0.00 0.00 0.00 53.44 54.03 3i9l n ALA 245 Cb 0.31 -2.28 0.35 0.00 0.00 0.00 0.00 19.45 17.83 3i9l n ALA 245 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i9l h ARG 246 N 2.10 0.54 0.00 0.00 2.43 -1.90 -0.77 114.38 116.77 3i9l h ARG 246 Ca -0.48 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3i9l h ARG 246 Cb 1.29 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3i9l h ARG 246 CO 0.60 0.36 0.00 0.39 -1.51 0.00 0.00 179.97 179.81 3i9l n GLU 247 N -4.91 0.02 -0.28 0.20 4.71 -1.26 -2.91 120.64 116.21 3i9l n GLU 247 Ca 0.25 0.32 0.10 0.00 -0.01 0.00 0.00 57.16 57.82 3i9l n GLU 247 Cb 0.69 -1.55 0.25 0.00 -1.01 0.00 0.00 31.44 29.82 3i9l n GLU 247 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i9l s ARG 249 N -1.08 4.20 0.44 0.00 0.52 -1.15 -4.97 118.95 116.91 3i9l s ARG 249 Ca 0.39 2.31 -0.12 0.00 -0.52 0.00 0.00 55.73 57.79 3i9l s ARG 249 Cb 0.21 -3.67 -0.07 0.00 0.52 0.00 0.00 34.95 31.95 3i9l s ARG 249 CO 0.28 -0.75 0.83 -0.51 0.02 0.00 0.00 175.30 175.17 3i9l s LEU 250 N 2.88 3.77 0.00 2.53 1.43 -1.26 -5.17 118.68 122.85 3i9l s LEU 250 Ca 0.74 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 3i9l s LEU 250 Cb -0.39 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 41.75 3i9l s LEU 250 CO 0.32 -0.46 0.55 0.00 0.23 0.00 0.00 176.35 176.99