#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6x s LYS 9 N 0.00 4.02 0.44 3.23 3.01 -1.26 -5.07 119.74 124.11 2a6x s LYS 9 Ca 0.00 0.54 -0.17 0.00 -1.01 0.00 0.00 55.97 55.34 2a6x s LYS 9 Cb 0.00 -2.97 -0.09 0.00 -1.01 0.00 0.00 37.83 33.76 2a6x s LYS 9 CO 0.00 0.50 0.90 1.67 0.51 0.00 0.00 175.35 178.93 2a6x s TRP 10 N -1.42 3.40 -0.76 3.18 -2.14 -1.26 -4.56 118.94 115.38 2a6x s TRP 10 Ca 0.37 1.40 -0.26 0.00 2.66 0.00 0.00 56.10 60.27 2a6x s TRP 10 Cb -0.16 -2.71 0.04 0.00 -3.10 0.00 0.00 33.47 27.54 2a6x s TRP 10 CO 0.19 -0.18 1.25 1.21 -2.66 0.00 0.00 176.95 176.76 2a6x s ASN 11 N -2.70 6.20 0.45 -2.66 3.84 0.32 -4.90 114.94 115.49 2a6x s ASN 11 Ca 0.58 -0.64 0.15 0.00 0.21 0.00 0.00 52.86 53.15 2a6x s ASN 11 Cb -0.10 -2.54 1.07 0.00 -0.55 0.00 0.00 41.25 39.14 2a6x s ASN 11 CO 0.24 -1.74 2.00 0.11 -2.79 0.00 0.00 177.10 174.92 2a6x h LYS 12 N 9.93 0.34 0.00 0.43 1.57 -1.93 -1.61 116.57 125.30 2a6x h LYS 12 Ca -0.23 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2a6x h LYS 12 Cb 1.05 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 2a6x h LYS 12 CO 1.28 0.22 -0.03 0.78 -0.57 0.00 0.00 179.45 181.13 2a6x h GLY 13 N 0.35 0.00 -1.04 3.86 0.00 -1.97 -2.92 103.07 101.35 2a6x h GLY 13 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2a6x h GLY 13 CO -0.06 0.00 -0.48 -1.72 0.00 0.00 0.00 176.54 174.28 2a6x n TYR 14 N -3.15 0.00 -4.33 5.60 4.01 -0.63 -4.96 117.16 113.70 2a6x n TYR 14 Ca -0.00 -1.35 -0.18 0.00 -0.16 0.00 0.00 57.90 56.21 2a6x n TYR 14 Cb 0.26 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 38.96 2a6x n TYR 14 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2a6x s SER 15 N -3.08 2.43 0.36 7.72 0.01 -1.06 -3.95 113.70 116.14 2a6x s SER 15 Ca 0.37 -1.02 -0.26 0.00 1.31 0.00 0.00 55.95 56.36 2a6x s SER 15 Cb 0.36 -0.11 -0.09 0.00 0.21 0.00 0.00 66.02 66.38 2a6x s SER 15 CO -0.07 -0.20 1.03 -0.76 0.41 0.00 0.00 173.24 173.66 2a6x s LEU 16 N -3.28 4.27 0.98 2.44 1.43 -0.16 -4.96 118.68 119.41 2a6x s LEU 16 Ca 0.21 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 2a6x s LEU 16 Cb -0.00 -4.04 0.18 0.00 0.03 0.00 0.00 46.19 42.36 2a6x s LEU 16 CO 0.06 -0.31 1.10 -2.16 0.23 0.00 0.00 176.35 175.27 2a6x s PRO 17 N -2.18 0.55 -0.17 1.29 0.04 -1.26 -4.65 135.00 128.61 2a6x s PRO 17 Ca 0.53 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.76 2a6x s PRO 17 Cb -0.23 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 2a6x s PRO 17 CO 0.29 -2.64 1.93 1.21 0.04 0.00 0.00 177.00 177.82 2a6x s ASN 18 N -3.55 6.01 0.25 6.66 3.84 -1.26 -4.84 114.94 122.05 2a6x s ASN 18 Ca 0.65 1.92 0.04 0.00 0.21 0.00 0.00 52.86 55.68 2a6x s ASN 18 Cb -0.18 -2.52 0.30 0.00 -0.55 0.00 0.00 41.25 38.30 2a6x s ASN 18 CO 0.57 -1.51 1.60 -0.07 -2.79 0.00 0.00 177.10 174.90 2a6x h LEU 19 N 12.87 0.29 -0.46 3.21 3.38 -1.83 -2.71 115.31 130.07 2a6x h LEU 19 Ca -0.40 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.34 2a6x h LEU 19 Cb 1.20 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2a6x h LEU 19 CO 0.98 0.78 -0.01 0.25 0.09 0.00 0.00 178.44 180.53 2a6x h LEU 20 N 0.21 0.79 0.00 1.67 5.85 -1.89 -3.14 115.31 118.81 2a6x h LEU 20 Ca 0.00 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2a6x h LEU 20 Cb 1.01 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2a6x h LEU 20 CO 0.08 0.91 0.00 -0.62 -0.34 0.00 0.00 178.44 178.48 2a6x n GLU 21 N -4.37 0.14 -1.67 1.25 1.02 -1.05 -4.84 120.64 111.12 2a6x n GLU 21 Ca 0.00 0.04 -0.46 0.00 -0.02 0.00 0.00 57.16 56.73 2a6x n GLU 21 Cb 0.31 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.19 2a6x n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2a6x n VAL 22 N -1.42 0.31 -0.03 2.62 0.31 -1.05 -4.89 118.33 114.18 2a6x n VAL 22 Ca 0.09 -0.08 -0.04 0.00 -0.01 0.00 0.00 64.34 64.30 2a6x n VAL 22 Cb 0.28 -1.50 -0.03 0.00 -0.91 0.00 0.00 33.84 31.67 2a6x n VAL 22 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2a6x n THR 23 N 2.91 0.33 -3.77 2.52 -2.24 -1.26 -4.90 114.28 107.87 2a6x n THR 23 Ca 0.15 -0.13 -0.36 0.00 -2.27 0.00 0.00 64.05 61.44 2a6x n THR 23 Cb 0.29 -0.72 -0.11 0.00 -2.10 0.00 0.00 70.33 67.70 2a6x n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a6x s ASP 24 N -4.46 5.16 0.33 3.42 3.68 -1.26 -4.98 116.67 118.56 2a6x s ASP 24 Ca -0.07 -2.54 0.02 0.00 2.13 0.00 0.00 52.55 52.09 2a6x s ASP 24 Cb 0.02 -1.82 0.59 0.00 -1.45 0.00 0.00 42.92 40.26 2a6x s ASP 24 CO 0.14 -0.42 1.97 -0.61 0.13 0.00 0.00 175.17 176.37 2a6x h GLN 25 N 7.39 0.91 -0.41 4.34 4.15 -1.99 -2.30 115.11 127.20 2a6x h GLN 25 Ca -0.06 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.16 2a6x h GLN 25 Cb 0.99 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 2a6x h GLN 25 CO 0.70 0.60 -0.32 0.37 -1.93 0.00 0.00 178.83 178.25 2a6x h GLN 26 N 0.93 0.92 -0.03 1.69 4.15 -1.95 -2.51 115.11 118.31 2a6x h GLN 26 Ca 0.30 -0.44 -0.07 0.00 0.77 0.00 0.00 58.65 59.22 2a6x h GLN 26 Cb 0.05 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2a6x h GLN 26 CO -0.09 1.10 -0.25 -0.22 -1.93 0.00 0.00 178.83 177.44 2a6x h LYS 27 N 0.77 0.22 0.00 1.69 3.64 -1.94 -3.14 116.57 117.81 2a6x h LYS 27 Ca 0.08 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2a6x h LYS 27 Cb 0.89 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2a6x h LYS 27 CO 0.08 0.87 -0.12 0.93 -2.27 0.00 0.00 179.45 178.94 2a6x h GLU 28 N -0.37 0.00 -0.38 1.90 5.08 -1.47 -2.95 114.58 116.39 2a6x h GLU 28 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2a6x h GLU 28 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2a6x h GLU 28 CO 0.05 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.34 2a6x n LEU 29 N -2.63 4.45 0.31 1.33 4.77 -0.95 -4.59 117.00 119.69 2a6x n LEU 29 Ca 0.04 -2.90 0.18 0.00 -0.03 0.00 0.00 56.01 53.30 2a6x n LEU 29 Cb 0.48 -0.57 1.00 0.00 -2.33 0.00 0.00 43.42 41.99 2a6x n LEU 29 CO 0.33 0.67 1.11 0.77 -1.33 0.00 0.00 177.39 178.94 2a6x h SER 30 N 2.61 0.00 -0.04 -1.43 4.64 -1.46 -1.40 113.55 116.47 2a6x h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a6x h SER 30 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2a6x h SER 30 CO 0.29 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.28 2a6x n GLN 31 N -3.37 1.79 -5.07 4.77 0.00 -1.26 -4.89 117.38 109.35 2a6x n GLN 31 Ca -0.02 -1.15 -0.32 0.00 0.00 0.00 0.00 57.00 55.51 2a6x n GLN 31 Cb 0.13 -1.47 -0.14 0.00 0.00 0.00 0.00 30.24 28.76 2a6x n GLN 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2a6x s TRP 32 N -1.98 2.53 -0.27 2.61 0.52 -0.53 -0.57 118.94 121.25 2a6x s TRP 32 Ca 0.36 -0.29 -0.10 0.00 0.02 0.00 0.00 56.10 56.09 2a6x s TRP 32 Cb 0.21 -1.56 -0.05 0.00 -1.15 0.00 0.00 33.47 30.92 2a6x s TRP 32 CO 0.32 0.09 0.16 0.99 0.02 0.00 0.00 176.95 178.54 2a6x s THR 33 N -0.68 5.10 -0.28 2.01 2.01 0.55 -4.90 115.64 119.44 2a6x s THR 33 Ca 0.11 0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 2a6x s THR 33 Cb -0.10 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 2a6x s THR 33 CO -0.00 0.27 0.62 -0.76 -0.69 0.00 0.00 174.62 174.06 2a6x s LEU 34 N 1.73 4.11 -0.07 4.42 1.02 -1.26 -1.81 118.68 126.81 2a6x s LEU 34 Ca 0.07 0.54 -0.01 0.00 0.02 0.00 0.00 54.13 54.75 2a6x s LEU 34 Cb -0.16 -2.82 -0.03 0.00 0.02 0.00 0.00 46.19 43.20 2a6x s LEU 34 CO 0.09 -0.42 0.01 -0.83 0.02 0.00 0.00 176.35 175.21 2a6x s GLY 35 N 1.57 1.86 0.00 -3.19 0.00 -0.02 -4.97 107.32 102.57 2a6x s GLY 35 Ca 0.25 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.15 2a6x s GLY 35 CO 0.10 -0.61 0.00 1.22 0.00 0.00 0.00 173.10 173.81 2a6x n ASP 36 N 2.00 0.00 -0.88 1.64 8.00 -1.26 -2.16 116.55 123.89 2a6x n ASP 36 Ca -0.18 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.42 2a6x n ASP 36 Cb 0.53 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.91 2a6x n ASP 36 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2a6x n LYS 37 N 14.00 2.14 -1.74 -1.24 4.76 -0.15 -4.96 118.16 130.97 2a6x n LYS 37 Ca 0.00 -1.73 -0.42 0.00 -2.87 0.00 0.00 58.31 53.29 2a6x n LYS 37 Cb 0.00 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 31.74 2a6x n LYS 37 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2a6x n VAL 38 N 0.93 1.63 -3.85 -0.18 3.14 -1.16 -4.62 118.33 114.22 2a6x n VAL 38 Ca 0.18 -0.41 -0.12 0.00 -2.96 0.00 0.00 64.34 61.03 2a6x n VAL 38 Cb 0.46 -1.84 -0.14 0.00 -1.06 0.00 0.00 33.84 31.26 2a6x n VAL 38 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2a6x s LYS 39 N -1.45 0.06 -0.45 1.45 -2.85 -0.74 -4.90 119.74 110.86 2a6x s LYS 39 Ca 0.58 0.08 -0.27 0.00 -1.00 0.00 0.00 55.97 55.36 2a6x s LYS 39 Cb -0.52 0.03 0.03 0.00 -2.06 0.00 0.00 37.83 35.31 2a6x s LYS 39 CO 0.58 -0.01 1.01 -1.17 0.10 0.00 0.00 175.35 175.86 2a6x s LEU 40 N 0.05 3.86 -0.13 2.77 2.96 -1.26 -0.94 118.68 125.99 2a6x s LEU 40 Ca -0.00 0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 54.25 2a6x s LEU 40 Cb -0.01 -3.35 0.02 0.00 0.50 0.00 0.00 46.19 43.35 2a6x s LEU 40 CO -0.00 -1.10 -0.10 -0.70 -1.32 0.00 0.00 176.35 173.13 2a6x s GLU 41 N 3.99 1.80 -1.47 1.98 2.12 -0.26 -4.87 118.70 122.00 2a6x s GLU 41 Ca 0.42 -0.36 -0.03 0.00 0.36 0.00 0.00 54.97 55.35 2a6x s GLU 41 Cb -0.09 -1.77 0.00 0.00 0.26 0.00 0.00 34.13 32.53 2a6x s GLU 41 CO 0.27 -0.26 0.21 0.39 -0.54 0.00 0.00 175.26 175.33 2a6x n GLU 42 N 4.88 -1.63 -0.51 4.30 -0.58 -1.26 -2.47 120.64 123.37 2a6x n GLU 42 Ca -0.14 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2a6x n GLU 42 Cb 0.50 -3.81 0.00 0.00 -0.57 0.00 0.00 31.44 27.56 2a6x n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a6x n GLY 43 N -2.34 0.75 3.25 0.62 0.00 -1.26 -4.99 105.19 101.22 2a6x n GLY 43 Ca -0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 2a6x n GLY 43 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a6x s ARG 44 N -0.49 0.95 -0.04 1.61 3.03 -1.03 -3.79 118.95 119.18 2a6x s ARG 44 Ca 0.00 -1.00 -0.26 0.00 2.03 0.00 0.00 55.73 56.50 2a6x s ARG 44 Cb 0.00 0.36 -0.03 0.00 -1.03 0.00 0.00 34.95 34.25 2a6x s ARG 44 CO 0.00 -0.32 0.83 -0.06 -1.13 0.00 0.00 175.30 174.62 2a6x s PHE 45 N -3.89 3.60 -0.38 5.89 0.08 -0.37 -1.10 117.98 121.81 2a6x s PHE 45 Ca 0.08 1.45 -0.11 0.00 0.12 0.00 0.00 56.93 58.47 2a6x s PHE 45 Cb 0.04 -2.96 0.03 0.00 -0.57 0.00 0.00 43.02 39.56 2a6x s PHE 45 CO -0.08 0.02 0.22 0.08 -0.10 0.00 0.00 175.22 175.36 2a6x s VAL 46 N 0.99 4.62 0.24 -0.44 1.01 -0.12 -0.95 120.40 125.75 2a6x s VAL 46 Ca 0.44 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 2a6x s VAL 46 Cb -0.19 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2a6x s VAL 46 CO 0.22 -0.28 1.62 -0.07 0.00 0.00 0.00 175.10 176.59 2a6x h LEU 47 N 8.46 0.54 -6.12 3.92 3.38 -1.10 -1.97 115.31 122.43 2a6x h LEU 47 Ca -0.25 -0.23 -0.58 0.00 0.09 0.00 0.00 57.88 56.90 2a6x h LEU 47 Cb 1.10 -0.15 -0.40 0.00 0.09 0.00 0.00 40.66 41.30 2a6x h LEU 47 CO 0.69 0.88 -0.86 0.35 0.09 0.00 0.00 178.44 179.59 2a6x n THR 48 N -4.04 0.75 0.51 0.22 -2.24 -1.24 -2.64 114.28 105.60 2a6x n THR 48 Ca -0.01 -4.57 0.12 0.00 -2.27 0.00 0.00 64.05 57.31 2a6x n THR 48 Cb 0.50 -2.02 0.46 0.00 -2.10 0.00 0.00 70.33 67.16 2a6x n THR 48 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2a6x n PRO 49 N 1.19 0.20 -4.41 -0.78 -0.04 -1.26 -4.53 135.00 125.37 2a6x n PRO 49 Ca 0.25 0.32 -0.23 0.00 -0.04 0.00 0.00 63.50 63.81 2a6x n PRO 49 Cb 0.47 -1.81 -0.08 0.00 -0.04 0.00 0.00 33.50 32.04 2a6x n PRO 49 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2a6x s GLY 50 N -3.51 2.47 0.19 0.55 0.00 -1.26 -5.08 107.32 100.67 2a6x s GLY 50 Ca 0.07 -1.58 -0.33 0.00 0.00 0.00 0.00 44.72 42.88 2a6x s GLY 50 CO 0.47 -1.67 1.66 0.28 0.00 0.00 0.00 173.10 173.84 2a6x n LYS 51 N -0.78 2.51 -3.84 2.90 5.02 -1.26 -3.04 118.16 119.67 2a6x n LYS 51 Ca -0.00 0.90 -0.24 0.00 -2.02 0.00 0.00 58.31 56.95 2a6x n LYS 51 Cb 0.64 -2.72 0.01 0.00 -0.02 0.00 0.00 35.03 32.94 2a6x n LYS 51 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2a6x n ASN 52 N 3.76 -1.06 -4.70 4.39 3.02 -0.95 -4.89 115.26 114.83 2a6x n ASN 52 Ca 0.16 -0.91 -0.25 0.00 -0.03 0.00 0.00 54.58 53.56 2a6x n ASN 52 Cb 0.32 -3.55 -0.07 0.00 -0.61 0.00 0.00 39.78 35.87 2a6x n ASN 52 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2a6x s THR 53 N -3.77 3.87 0.18 3.41 -4.23 -1.17 -4.93 115.64 109.00 2a6x s THR 53 Ca 0.07 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.17 2a6x s THR 53 Cb -0.03 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 2a6x s THR 53 CO 0.85 -0.20 -0.16 -1.59 -0.54 0.00 0.00 174.62 172.98 2a6x s LYS 54 N -3.26 1.28 0.14 3.99 -2.85 -1.26 -2.22 119.74 115.56 2a6x s LYS 54 Ca 0.30 -1.48 -0.24 0.00 -1.00 0.00 0.00 55.97 53.55 2a6x s LYS 54 Cb -0.09 -1.20 0.07 0.00 -2.06 0.00 0.00 37.83 34.55 2a6x s LYS 54 CO 0.20 0.22 0.64 0.20 0.10 0.00 0.00 175.35 176.72 2a6x s GLY 55 N -2.95 -0.57 0.04 0.59 0.00 -0.83 -0.97 107.32 102.63 2a6x s GLY 55 Ca 0.18 0.52 -0.20 0.00 0.00 0.00 0.00 44.72 45.22 2a6x s GLY 55 CO 0.06 0.17 0.46 -1.35 0.00 0.00 0.00 173.10 172.44 2a6x s SER 56 N -2.72 -0.35 -0.09 1.64 1.04 -0.92 -1.22 113.70 111.08 2a6x s SER 56 Ca 0.02 0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.57 2a6x s SER 56 Cb -0.01 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.57 2a6x s SER 56 CO -0.11 -0.66 -0.12 -0.76 0.98 0.00 0.00 173.24 172.56 2a6x s LEU 57 N -1.90 1.59 -0.04 2.42 1.43 -0.29 -0.84 118.68 121.06 2a6x s LEU 57 Ca -0.06 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2a6x s LEU 57 Cb -0.01 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.30 2a6x s LEU 57 CO -0.01 0.00 -0.11 0.26 0.23 0.00 0.00 176.35 176.72 2a6x s TRP 58 N 0.95 1.21 0.18 0.29 0.52 -0.75 -1.15 118.94 120.18 2a6x s TRP 58 Ca -0.09 -0.35 -0.31 0.00 0.02 0.00 0.00 56.10 55.37 2a6x s TRP 58 Cb -0.15 -0.86 -0.09 0.00 -1.15 0.00 0.00 33.47 31.22 2a6x s TRP 58 CO 0.00 -0.16 1.42 -0.51 0.02 0.00 0.00 176.95 177.72 2a6x s LEU 59 N 0.32 4.38 0.01 2.99 1.43 -0.33 -0.33 118.68 127.15 2a6x s LEU 59 Ca -0.06 2.50 -0.25 0.00 -1.03 0.00 0.00 54.13 55.28 2a6x s LEU 59 Cb -0.11 -3.60 -0.17 0.00 0.03 0.00 0.00 46.19 42.33 2a6x s LEU 59 CO 0.02 -0.67 1.29 0.11 0.23 0.00 0.00 176.35 177.32 2a6x h LYS 60 N 5.99 -0.26 -6.85 1.70 1.57 -1.18 -3.43 116.57 114.11 2a6x h LYS 60 Ca -0.44 0.02 -0.51 0.00 -1.87 0.00 0.00 60.65 57.85 2a6x h LYS 60 Cb 1.21 0.06 0.03 0.00 0.08 0.00 0.00 32.23 33.61 2a6x h LYS 60 CO 0.83 0.07 0.51 -1.25 -0.57 0.00 0.00 179.45 179.04 2a6x s PRO 61 N -4.71 4.47 0.38 3.15 0.04 -1.26 -5.01 135.00 132.05 2a6x s PRO 61 Ca -0.14 1.87 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 2a6x s PRO 61 Cb 0.02 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.43 2a6x s PRO 61 CO 0.59 0.03 1.09 -1.21 0.04 0.00 0.00 177.00 177.54 2a6x s GLU 62 N -1.71 4.23 -0.16 4.56 2.02 -1.26 -4.79 118.70 121.59 2a6x s GLU 62 Ca 0.48 1.65 -0.10 0.00 0.02 0.00 0.00 54.97 57.02 2a6x s GLU 62 Cb -0.33 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 2a6x s GLU 62 CO 0.42 -0.11 0.18 -0.47 0.02 0.00 0.00 175.26 175.30 2a6x s TYR 63 N -1.50 3.50 -0.17 1.61 5.04 -0.17 -4.85 117.35 120.81 2a6x s TYR 63 Ca 0.55 0.48 -0.01 0.00 -2.44 0.00 0.00 57.07 55.65 2a6x s TYR 63 Cb -0.26 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 39.93 2a6x s TYR 63 CO 0.33 0.45 -0.14 -1.12 -1.34 0.00 0.00 175.55 173.73 2a6x s SER 64 N -0.16 3.73 0.41 4.32 0.01 -1.26 -1.80 113.70 118.94 2a6x s SER 64 Ca 0.13 -0.48 -0.24 0.00 1.31 0.00 0.00 55.95 56.67 2a6x s SER 64 Cb -0.12 -1.59 -0.08 0.00 0.21 0.00 0.00 66.02 64.44 2a6x s SER 64 CO 0.02 0.05 1.12 -0.51 0.41 0.00 0.00 173.24 174.33 2a6x s ILE 65 N 1.03 3.36 0.00 1.44 2.07 -1.26 -5.02 121.20 122.83 2a6x s ILE 65 Ca -0.01 1.08 0.00 0.00 -1.41 0.00 0.00 60.65 60.31 2a6x s ILE 65 Cb -0.15 -3.57 0.00 0.00 0.13 0.00 0.00 42.46 38.87 2a6x s ILE 65 CO -0.03 0.04 0.00 1.17 -1.91 0.00 0.00 174.94 174.21 2a6x n LYS 66 N -0.10 0.00 -0.10 3.50 3.00 -1.26 -4.96 118.16 118.24 2a6x n LYS 66 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.21 2a6x n LYS 66 Cb 0.48 -0.09 -0.05 0.00 0.00 0.00 0.00 35.03 35.37 2a6x n LYS 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2a6x n ASP 67 N -0.28 1.94 -3.66 3.14 8.00 -1.26 -5.08 116.55 119.35 2a6x n ASP 67 Ca 0.00 0.33 -0.11 0.00 0.71 0.00 0.00 54.79 55.72 2a6x n ASP 67 Cb 0.00 -0.76 -0.04 0.00 -0.02 0.00 0.00 41.12 40.30 2a6x n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a6x s ALA 68 N -2.79 0.15 0.03 2.24 0.00 -1.26 -4.00 121.76 116.14 2a6x s ALA 68 Ca -0.32 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 50.31 2a6x s ALA 68 Cb 0.07 1.09 0.04 0.00 0.00 0.00 0.00 23.12 24.32 2a6x s ALA 68 CO 0.44 -0.83 0.44 0.00 0.00 0.00 0.00 175.76 175.82 2a6x s MET 69 N -3.54 0.92 -0.05 0.00 0.23 -0.58 -2.41 119.30 113.86 2a6x s MET 69 Ca 0.26 -0.26 0.03 0.00 -1.03 0.00 0.00 55.69 54.69 2a6x s MET 69 Cb -0.01 0.41 0.00 0.00 -1.53 0.00 0.00 34.83 33.71 2a6x s MET 69 CO 0.13 -0.31 -0.15 0.99 -2.03 0.00 0.00 175.02 173.66 2a6x s THR 70 N -2.19 1.27 -0.09 3.16 2.01 -0.69 -0.82 115.64 118.29 2a6x s THR 70 Ca -0.07 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2a6x s THR 70 Cb -0.01 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.39 2a6x s THR 70 CO -0.00 0.37 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.45 2a6x s ILE 71 N 0.26 1.92 -0.16 1.82 1.01 0.07 -0.52 121.20 125.60 2a6x s ILE 71 Ca -0.07 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.64 2a6x s ILE 71 Cb -0.13 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.70 2a6x s ILE 71 CO 0.03 0.53 -0.16 -1.61 0.00 0.00 0.00 174.94 173.73 2a6x s GLU 72 N 0.37 2.52 -0.13 2.79 2.02 0.05 -0.75 118.70 125.56 2a6x s GLU 72 Ca -0.18 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.13 2a6x s GLU 72 Cb -0.17 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 2a6x s GLU 72 CO 0.08 -0.23 -0.04 -1.58 0.02 0.00 0.00 175.26 173.50 2a6x s TRP 73 N 1.42 3.02 -0.19 1.61 0.52 -0.31 -1.35 118.94 123.65 2a6x s TRP 73 Ca 0.05 -0.20 -0.04 0.00 0.02 0.00 0.00 56.10 55.92 2a6x s TRP 73 Cb -0.13 -1.90 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 2a6x s TRP 73 CO -0.11 0.07 -0.03 0.99 0.02 0.00 0.00 176.95 177.89 2a6x s THR 74 N 0.04 3.65 0.20 2.01 2.01 -0.29 -0.66 115.64 122.61 2a6x s THR 74 Ca 0.00 -0.42 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 2a6x s THR 74 Cb -0.13 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 2a6x s THR 74 CO 0.03 0.44 0.26 0.72 -0.69 0.00 0.00 174.62 175.38 2a6x s PHE 75 N 1.03 0.71 0.19 4.92 -0.12 -0.16 -0.49 117.98 124.05 2a6x s PHE 75 Ca 0.01 -1.02 -0.20 0.00 -0.05 0.00 0.00 56.93 55.67 2a6x s PHE 75 Cb -0.15 -0.21 0.04 0.00 -0.63 0.00 0.00 43.02 42.07 2a6x s PHE 75 CO 0.01 -0.74 0.57 -0.98 -0.05 0.00 0.00 175.22 174.02 2a6x s ARG 76 N -4.06 1.36 -0.15 1.99 1.70 -0.47 -0.83 118.95 118.49 2a6x s ARG 76 Ca 0.27 -0.71 0.02 0.00 -0.47 0.00 0.00 55.73 54.84 2a6x s ARG 76 Cb 0.04 0.55 0.01 0.00 -0.57 0.00 0.00 34.95 34.99 2a6x s ARG 76 CO 0.07 -0.59 -0.21 0.45 -1.08 0.00 0.00 175.30 173.94 2a6x s SER 77 N -2.82 3.08 0.05 -2.89 0.15 -1.26 -0.57 113.70 109.43 2a6x s SER 77 Ca 0.06 -0.61 0.06 0.00 0.70 0.00 0.00 55.95 56.16 2a6x s SER 77 Cb -0.01 -1.43 -0.02 0.00 -1.71 0.00 0.00 66.02 62.84 2a6x s SER 77 CO -0.06 0.05 -0.17 0.12 1.20 0.00 0.00 173.24 174.38 2a6x s PHE 78 N 0.96 1.47 0.00 3.44 5.36 -0.54 -1.21 117.98 127.46 2a6x s PHE 78 Ca -0.04 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 2a6x s PHE 78 Cb -0.15 -0.87 0.00 0.00 -0.34 0.00 0.00 43.02 41.67 2a6x s PHE 78 CO -0.05 0.07 0.00 0.41 -1.46 0.00 0.00 175.22 174.19 2a6x n GLY 79 N 1.80 1.91 3.06 13.12 0.00 -1.26 -1.45 105.19 122.38 2a6x n GLY 79 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2a6x n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a6x s PHE 80 N -2.40 -0.40 -0.13 1.61 5.36 -1.26 -4.87 117.98 115.89 2a6x s PHE 80 Ca 0.00 0.92 0.02 0.00 -0.96 0.00 0.00 56.93 56.90 2a6x s PHE 80 Cb 0.00 0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.74 2a6x s PHE 80 CO 0.00 -0.29 -0.17 0.50 -1.46 0.00 0.00 175.22 173.80 2a6x s ARG 81 N 1.69 2.53 0.00 10.12 3.52 -1.26 -3.45 118.95 132.10 2a6x s ARG 81 Ca -0.06 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 2a6x s ARG 81 Cb -0.11 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.13 2a6x s ARG 81 CO -0.09 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 2a6x n GLY 82 N 4.34 -0.93 3.74 8.12 0.00 -1.26 -5.10 105.19 114.10 2a6x n GLY 82 Ca -0.19 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 2a6x n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a6x s SER 83 N -3.23 6.50 -0.17 1.61 0.15 -1.26 -5.00 113.70 112.30 2a6x s SER 83 Ca 0.00 2.81 -0.31 0.00 0.70 0.00 0.00 55.95 59.15 2a6x s SER 83 Cb 0.00 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.82 2a6x s SER 83 CO 0.00 -0.83 1.10 0.28 1.20 0.00 0.00 173.24 174.99 2a6x s THR 84 N 0.16 0.00 -2.68 6.45 -1.32 -1.26 -5.01 115.64 111.98 2a6x s THR 84 Ca 0.63 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.37 2a6x s THR 84 Cb -0.45 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 69.88 2a6x s THR 84 CO 0.44 0.00 1.48 0.29 -2.21 0.00 0.00 174.62 174.62 2a6x n LYS 85 N 0.39 1.92 -1.05 7.08 4.76 -1.26 -4.62 118.16 125.38 2a6x n LYS 85 Ca -0.06 -1.40 -0.32 0.00 -2.87 0.00 0.00 58.31 53.67 2a6x n LYS 85 Cb 0.59 -1.47 0.13 0.00 -1.84 0.00 0.00 35.03 32.43 2a6x n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2a6x s GLY 86 N -2.04 1.86 0.06 0.72 0.00 -1.26 -4.96 107.32 101.70 2a6x s GLY 86 Ca 0.32 0.58 -0.26 0.00 0.00 0.00 0.00 44.72 45.36 2a6x s GLY 86 CO 0.34 0.98 1.19 -0.32 0.00 0.00 0.00 173.10 175.28 2a6x s GLY 87 N -2.69 -0.06 -0.06 0.20 0.00 -0.49 -4.44 107.32 99.78 2a6x s GLY 87 Ca 0.67 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 45.36 2a6x s GLY 87 CO 0.54 3.95 -0.10 -2.27 0.00 0.00 0.00 173.10 175.21 2a6x s LEU 88 N -3.58 1.55 0.04 0.66 2.96 -0.45 -1.97 118.68 117.89 2a6x s LEU 88 Ca 0.25 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 2a6x s LEU 88 Cb -0.01 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 2a6x s LEU 88 CO 0.01 0.01 -0.23 0.00 -1.32 0.00 0.00 176.35 174.82 2a6x s ALA 89 N 0.78 1.94 -0.07 5.97 0.00 0.40 -0.14 121.76 130.65 2a6x s ALA 89 Ca -0.13 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.75 2a6x s ALA 89 Cb -0.15 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2a6x s ALA 89 CO 0.02 0.45 -0.23 -0.06 0.00 0.00 0.00 175.76 175.93 2a6x s PHE 90 N -0.80 2.35 -0.02 0.00 0.08 0.38 -1.42 117.98 118.54 2a6x s PHE 90 Ca 0.09 -0.77 0.07 0.00 0.12 0.00 0.00 56.93 56.44 2a6x s PHE 90 Cb -0.09 -1.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 2a6x s PHE 90 CO 0.02 -0.26 -0.23 -1.58 -0.10 0.00 0.00 175.22 173.06 2a6x s TRP 91 N 0.01 2.13 -0.22 0.36 0.52 0.10 -0.73 118.94 121.10 2a6x s TRP 91 Ca -0.08 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 55.61 2a6x s TRP 91 Cb -0.15 -1.38 0.06 0.00 -1.15 0.00 0.00 33.47 30.85 2a6x s TRP 91 CO 0.05 -0.06 -0.05 -0.51 0.02 0.00 0.00 176.95 176.40 2a6x s LEU 92 N -0.48 2.28 0.08 2.99 1.43 -0.45 -2.35 118.68 122.18 2a6x s LEU 92 Ca 0.07 -1.05 0.08 0.00 -1.03 0.00 0.00 54.13 52.20 2a6x s LEU 92 Cb -0.10 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2a6x s LEU 92 CO -0.00 -0.23 -0.20 -0.54 0.23 0.00 0.00 176.35 175.61 2a6x s LYS 93 N 1.47 1.17 -0.03 1.70 1.02 -0.30 -0.29 119.74 124.47 2a6x s LYS 93 Ca -0.04 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 54.89 2a6x s LYS 93 Cb -0.18 -1.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.72 2a6x s LYS 93 CO -0.07 0.33 -0.10 -1.14 -0.92 0.00 0.00 175.35 173.45 2a6x s GLN 94 N -1.70 2.56 -0.37 1.68 0.74 0.80 -0.19 119.66 123.18 2a6x s GLN 94 Ca 0.06 -0.68 -0.01 0.00 0.05 0.00 0.00 55.36 54.79 2a6x s GLN 94 Cb -0.10 -2.46 0.00 0.00 1.10 0.00 0.00 33.01 31.55 2a6x s GLN 94 CO 0.03 0.63 0.02 0.41 -0.55 0.00 0.00 175.29 175.83 2a6x n GLY 95 N 2.02 -0.50 3.36 2.59 0.00 -1.26 -4.57 105.19 106.83 2a6x n GLY 95 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2a6x n GLY 95 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a6x s ASN 96 N -2.04 -0.23 -0.44 1.61 0.01 -1.26 -5.09 114.94 107.50 2a6x s ASN 96 Ca 0.02 -0.37 0.07 0.00 -0.71 0.00 0.00 52.86 51.87 2a6x s ASN 96 Cb -0.01 0.49 0.28 0.00 0.41 0.00 0.00 41.25 42.42 2a6x s ASN 96 CO 0.02 -0.89 0.83 -0.62 -1.51 0.00 0.00 177.10 174.93 2a6x n GLU 97 N -0.25 0.85 -2.18 -0.60 4.71 -1.26 -5.11 120.64 116.81 2a6x n GLU 97 Ca -0.14 -2.41 -0.27 0.00 -0.01 0.00 0.00 57.16 54.32 2a6x n GLU 97 Cb 0.63 -1.34 0.14 0.00 -1.01 0.00 0.00 31.44 29.86 2a6x n GLU 97 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2a6x s GLY 98 N -1.59 1.75 0.00 0.62 0.00 -1.26 -5.03 107.32 101.81 2a6x s GLY 98 Ca 0.32 -1.28 0.15 0.00 0.00 0.00 0.00 44.72 43.91 2a6x s GLY 98 CO -0.14 -0.66 1.07 1.22 0.00 0.00 0.00 173.10 174.59 2a6x n ASP 99 N -3.30 2.49 -4.76 1.64 10.43 -1.26 -5.01 116.55 116.78 2a6x n ASP 99 Ca 0.13 -1.72 -0.38 0.00 2.57 0.00 0.00 54.79 55.40 2a6x n ASP 99 Cb 0.60 -0.07 0.01 0.00 1.84 0.00 0.00 41.12 43.49 2a6x n ASP 99 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2a6x s SER 100 N -1.21 5.95 -0.09 -2.24 0.15 -1.26 -4.93 113.70 110.07 2a6x s SER 100 Ca 0.21 2.53 0.13 0.00 0.70 0.00 0.00 55.95 59.52 2a6x s SER 100 Cb 0.14 -2.62 0.20 0.00 -1.71 0.00 0.00 66.02 62.03 2a6x s SER 100 CO 0.20 -1.08 1.10 0.35 1.20 0.00 0.00 173.24 175.00 2a6x n THR 101 N -0.47 1.34 0.05 6.45 -2.24 -1.26 -3.26 114.28 114.89 2a6x n THR 101 Ca 0.07 -1.60 0.03 0.00 -2.27 0.00 0.00 64.05 60.28 2a6x n THR 101 Cb 0.46 -0.01 0.41 0.00 -2.10 0.00 0.00 70.33 69.08 2a6x n THR 101 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2a6x h GLU 102 N 0.00 0.42 -4.86 -0.78 4.57 -1.83 -2.24 114.58 109.86 2a6x h GLU 102 Ca 0.00 -0.05 -0.69 0.00 -1.18 0.00 0.00 59.36 57.44 2a6x h GLU 102 Cb 1.10 -0.08 -0.19 0.00 -0.16 0.00 0.00 28.75 29.42 2a6x h GLU 102 CO 0.00 0.37 0.12 -1.17 -1.18 0.00 0.00 179.01 177.16 2a6x s LEU 103 N -9.19 5.15 -1.56 1.64 2.96 0.51 -4.58 118.68 113.60 2a6x s LEU 103 Ca -0.07 -1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 52.50 2a6x s LEU 103 Cb 0.16 -2.37 0.11 0.00 0.50 0.00 0.00 46.19 44.59 2a6x s LEU 103 CO 0.73 -1.05 0.88 0.49 -1.32 0.00 0.00 176.35 176.08 2a6x n PHE 104 N 6.37 -2.09 -1.02 5.38 3.72 -1.26 -0.86 117.46 127.70 2a6x n PHE 104 Ca -0.08 0.83 -0.01 0.00 -0.05 0.00 0.00 57.45 58.14 2a6x n PHE 104 Cb 0.44 -3.59 -0.00 0.00 -0.94 0.00 0.00 39.48 35.38 2a6x n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2a6x n GLY 105 N -1.55 0.33 0.00 1.37 0.00 -0.84 -2.58 105.19 101.91 2a6x n GLY 105 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2a6x n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a6x n GLY 106 N -1.21 0.00 3.49 -0.02 0.00 -0.04 -4.67 105.19 102.74 2a6x n GLY 106 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2a6x n GLY 106 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a6x s SER 107 N -2.67 -0.44 0.70 1.61 0.15 -1.13 -4.83 113.70 107.09 2a6x s SER 107 Ca 0.00 0.08 -0.16 0.00 0.70 0.00 0.00 55.95 56.57 2a6x s SER 107 Cb 0.00 0.45 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 2a6x s SER 107 CO 0.00 -0.69 1.20 -0.55 1.20 0.00 0.00 173.24 174.40 2a6x s SER 108 N -2.36 4.44 0.56 5.45 0.15 -1.24 -0.36 113.70 120.35 2a6x s SER 108 Ca 0.02 2.33 0.25 0.00 0.70 0.00 0.00 55.95 59.25 2a6x s SER 108 Cb -0.01 -2.59 1.60 0.00 -1.71 0.00 0.00 66.02 63.31 2a6x s SER 108 CO -0.08 -2.10 2.20 0.11 1.20 0.00 0.00 173.24 174.57 2a6x h LYS 109 N -0.07 0.00 -4.58 5.44 1.57 -1.93 -3.37 116.57 113.63 2a6x h LYS 109 Ca -0.48 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 57.59 2a6x h LYS 109 Cb 1.29 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.40 2a6x h LYS 109 CO 0.51 0.00 -0.43 0.21 -0.57 0.00 0.00 179.45 179.17 2a6x s LYS 110 N -4.80 3.14 0.17 3.15 2.20 -1.26 -0.45 119.74 121.88 2a6x s LYS 110 Ca -0.05 -0.89 -0.08 0.00 -0.36 0.00 0.00 55.97 54.58 2a6x s LYS 110 Cb 0.16 -3.93 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 2a6x s LYS 110 CO 0.60 -0.66 0.28 -0.59 -0.36 0.00 0.00 175.35 174.61 2a6x s PHE 111 N 1.71 0.44 -0.34 4.03 -0.12 -1.26 -4.95 117.98 117.51 2a6x s PHE 111 Ca 0.06 -0.80 0.03 0.00 -0.05 0.00 0.00 56.93 56.17 2a6x s PHE 111 Cb -0.18 -0.08 0.10 0.00 -0.63 0.00 0.00 43.02 42.22 2a6x s PHE 111 CO 0.10 -0.72 0.05 1.21 -0.05 0.00 0.00 175.22 175.81 2a6x s ASN 112 N -2.98 4.79 0.00 1.98 3.04 -1.26 -0.59 114.94 119.92 2a6x s ASN 112 Ca 0.18 -2.05 0.00 0.00 0.04 0.00 0.00 52.86 51.03 2a6x s ASN 112 Cb 0.03 -1.64 0.00 0.00 -1.54 0.00 0.00 41.25 38.10 2a6x s ASN 112 CO 0.01 -0.37 0.00 0.61 -3.04 0.00 0.00 177.10 174.31 2a6x n GLY 113 N 4.31 -0.21 3.11 1.21 0.00 0.23 -0.14 105.19 113.69 2a6x n GLY 113 Ca 0.01 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2a6x n GLY 113 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a6x s LEU 114 N 0.00 1.86 -0.16 0.99 2.96 0.60 -1.92 118.68 123.00 2a6x s LEU 114 Ca 0.00 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2a6x s LEU 114 Cb 0.00 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.52 2a6x s LEU 114 CO 0.00 0.06 -0.18 -0.32 -1.32 0.00 0.00 176.35 174.59 2a6x s MET 115 N 0.76 3.11 -0.23 1.98 -2.45 -0.40 -1.34 119.30 120.74 2a6x s MET 115 Ca -0.11 -0.79 -0.05 0.00 -1.25 0.00 0.00 55.69 53.49 2a6x s MET 115 Cb -0.16 -2.57 -0.02 0.00 1.25 0.00 0.00 34.83 33.33 2a6x s MET 115 CO 0.02 -0.06 0.00 0.42 1.05 0.00 0.00 175.02 176.45 2a6x s ILE 116 N 0.96 3.77 -0.11 10.11 1.01 0.09 -0.67 121.20 136.36 2a6x s ILE 116 Ca -0.03 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.29 2a6x s ILE 116 Cb -0.15 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.60 2a6x s ILE 116 CO -0.04 0.40 -0.21 -0.22 0.00 0.00 0.00 174.94 174.87 2a6x s LEU 117 N 1.43 2.01 -0.34 2.97 2.96 0.40 -0.47 118.68 127.64 2a6x s LEU 117 Ca 0.05 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 53.30 2a6x s LEU 117 Cb -0.15 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 2a6x s LEU 117 CO -0.00 0.10 0.23 -0.76 -1.32 0.00 0.00 176.35 174.61 2a6x s LEU 118 N 0.62 4.50 0.36 -0.68 1.02 0.80 -0.95 118.68 124.34 2a6x s LEU 118 Ca -0.13 -0.45 -0.16 0.00 0.02 0.00 0.00 54.13 53.41 2a6x s LEU 118 Cb -0.17 -2.12 0.04 0.00 0.02 0.00 0.00 46.19 43.96 2a6x s LEU 118 CO 0.03 -0.24 0.75 0.00 0.02 0.00 0.00 176.35 176.91 2a6x s ARG 119 N 1.71 2.11 -0.71 1.70 1.70 -1.01 -1.34 118.95 123.10 2a6x s ARG 119 Ca 0.06 -1.35 -0.20 0.00 -0.47 0.00 0.00 55.73 53.77 2a6x s ARG 119 Cb -0.17 0.61 0.11 0.00 -0.57 0.00 0.00 34.95 34.92 2a6x s ARG 119 CO 0.10 -0.97 0.90 -0.51 -1.08 0.00 0.00 175.30 173.73 2a6x s LEU 120 N -3.05 5.08 0.29 -1.89 1.43 -1.26 -2.01 118.68 117.28 2a6x s LEU 120 Ca 0.15 -1.54 -0.29 0.00 -1.03 0.00 0.00 54.13 51.43 2a6x s LEU 120 Cb -0.05 -2.36 -0.10 0.00 0.03 0.00 0.00 46.19 43.72 2a6x s LEU 120 CO 0.11 -1.17 1.17 -0.62 0.23 0.00 0.00 176.35 176.07 2a6x s ASP 121 N 3.55 7.10 0.52 2.29 2.15 -0.56 -4.86 116.67 126.86 2a6x s ASP 121 Ca 0.21 2.40 0.19 0.00 0.43 0.00 0.00 52.55 55.78 2a6x s ASP 121 Cb -0.16 -2.63 1.31 0.00 -0.30 0.00 0.00 42.92 41.14 2a6x s ASP 121 CO 0.02 -0.28 2.11 0.44 -0.17 0.00 0.00 175.17 177.29 2a6x h ASP 122 N 3.78 0.00 0.00 -0.34 3.32 -1.96 -0.29 116.42 120.92 2a6x h ASP 122 Ca -0.47 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.32 2a6x h ASP 122 Cb 1.22 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 2a6x h ASP 122 CO 0.67 0.00 -1.96 0.29 -1.72 0.00 0.00 179.24 176.52 2a6x n LYS 123 N -4.49 0.84 0.12 3.56 5.02 -1.26 -4.64 118.16 117.31 2a6x n LYS 123 Ca 0.01 0.07 0.06 0.00 -2.02 0.00 0.00 58.31 56.42 2a6x n LYS 123 Cb 0.24 -1.34 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 2a6x n LYS 123 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2a6x h LEU 124 N 0.00 0.00 0.00 -0.35 3.38 -1.96 -3.50 115.31 112.87 2a6x h LEU 124 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2a6x h LEU 124 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2a6x h LEU 124 CO -0.04 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.42 2a6x n GLY 125 N 1.23 0.65 3.63 0.83 0.00 -0.12 -4.81 105.19 106.61 2a6x n GLY 125 Ca -0.01 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2a6x n GLY 125 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a6x s GLU 126 N 0.00 3.64 0.17 1.61 2.12 -1.26 -1.50 118.70 123.49 2a6x s GLU 126 Ca 0.00 2.32 -0.23 0.00 0.36 0.00 0.00 54.97 57.42 2a6x s GLU 126 Cb 0.00 -4.27 0.06 0.00 0.26 0.00 0.00 34.13 30.19 2a6x s GLU 126 CO 0.00 -1.52 0.65 -1.54 -0.54 0.00 0.00 175.26 172.30 2a6x s SER 127 N 6.32 -0.49 -0.23 -1.70 1.04 -0.85 -2.31 113.70 115.49 2a6x s SER 127 Ca 0.94 -0.12 -0.09 0.00 0.48 0.00 0.00 55.95 57.16 2a6x s SER 127 Cb -0.38 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2a6x s SER 127 CO 0.38 -1.02 0.12 -0.69 0.98 0.00 0.00 173.24 173.02 2a6x s VAL 128 N -3.74 5.09 -0.04 5.02 1.01 -0.22 -2.40 120.40 125.13 2a6x s VAL 128 Ca 0.03 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2a6x s VAL 128 Cb -0.02 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2a6x s VAL 128 CO -0.09 0.38 -0.17 0.42 0.00 0.00 0.00 175.10 175.63 2a6x s THR 129 N 0.93 1.44 -0.10 3.92 -4.23 -0.13 -1.40 115.64 116.08 2a6x s THR 129 Ca 0.06 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 2a6x s THR 129 Cb -0.13 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 2a6x s THR 129 CO 0.03 0.41 -0.16 0.00 -0.54 0.00 0.00 174.62 174.37 2a6x s ALA 130 N -0.07 2.53 -0.01 3.99 0.00 -0.17 -0.46 121.76 127.57 2a6x s ALA 130 Ca -0.01 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2a6x s ALA 130 Cb -0.10 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 2a6x s ALA 130 CO 0.02 0.35 -0.14 -0.06 0.00 0.00 0.00 175.76 175.93 2a6x s PHE 131 N 0.03 1.21 -0.01 0.00 0.08 0.16 -1.12 117.98 118.33 2a6x s PHE 131 Ca -0.06 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.79 2a6x s PHE 131 Cb -0.15 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2a6x s PHE 131 CO 0.05 -0.02 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.58 2a6x s LEU 132 N -0.33 3.23 0.01 -0.37 1.43 -1.26 -1.28 118.68 120.11 2a6x s LEU 132 Ca 0.05 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2a6x s LEU 132 Cb -0.05 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2a6x s LEU 132 CO -0.00 0.29 -0.03 0.21 0.23 0.00 0.00 176.35 177.05 2a6x s ASN 133 N -1.37 0.28 -0.14 2.29 3.84 -0.81 -5.00 114.94 114.04 2a6x s ASN 133 Ca 0.17 -0.24 0.16 0.00 0.21 0.00 0.00 52.86 53.15 2a6x s ASN 133 Cb -0.11 0.03 0.61 0.00 -0.55 0.00 0.00 41.25 41.23 2a6x s ASN 133 CO 0.07 -0.11 1.53 -0.90 -2.79 0.00 0.00 177.10 174.90 2a6x n ASP 134 N 2.39 4.36 0.00 -4.21 5.75 -1.22 -0.60 116.55 123.01 2a6x n ASP 134 Ca -0.17 -2.65 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 2a6x n ASP 134 Cb 0.57 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2a6x n ASP 134 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a6x n GLY 135 N 0.41 1.26 0.00 6.12 0.00 0.24 -4.77 105.19 108.46 2a6x n GLY 135 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.33 2a6x n GLY 135 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a6x n THR 136 N -2.00 0.00 -4.28 2.61 -2.24 -1.26 -4.71 114.28 102.40 2a6x n THR 136 Ca 0.00 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.30 2a6x n THR 136 Cb 0.00 0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 68.58 2a6x n THR 136 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2a6x s LYS 137 N -2.99 1.13 -0.12 -0.78 1.02 -1.26 -5.12 119.74 111.63 2a6x s LYS 137 Ca -0.01 -1.31 -0.29 0.00 0.02 0.00 0.00 55.97 54.37 2a6x s LYS 137 Cb 0.12 -1.10 -0.01 0.00 -0.52 0.00 0.00 37.83 36.32 2a6x s LYS 137 CO 0.73 0.22 1.03 -0.51 -0.92 0.00 0.00 175.35 175.90 2a6x s ASP 138 N -2.53 7.20 0.05 2.83 -0.00 -1.26 -4.11 116.67 118.85 2a6x s ASP 138 Ca 0.12 1.54 -0.31 0.00 -0.00 0.00 0.00 52.55 53.90 2a6x s ASP 138 Cb -0.05 -2.55 -0.07 0.00 -0.00 0.00 0.00 42.92 40.25 2a6x s ASP 138 CO 0.05 -0.50 1.41 -0.22 -0.00 0.00 0.00 175.17 175.90 2a6x s LEU 139 N 2.24 4.34 -0.47 1.23 2.96 0.40 -4.94 118.68 124.44 2a6x s LEU 139 Ca 0.48 2.21 -0.08 0.00 -0.22 0.00 0.00 54.13 56.52 2a6x s LEU 139 Cb -0.18 -3.57 0.12 0.00 0.50 0.00 0.00 46.19 43.06 2a6x s LEU 139 CO 0.16 -0.70 0.33 -0.62 -1.32 0.00 0.00 176.35 174.21 2a6x s ASP 140 N 1.61 5.63 0.27 3.68 3.68 -1.26 -4.92 116.67 125.36 2a6x s ASP 140 Ca 0.65 -1.99 0.03 0.00 2.13 0.00 0.00 52.55 53.36 2a6x s ASP 140 Cb -0.34 -1.98 0.36 0.00 -1.45 0.00 0.00 42.92 39.52 2a6x s ASP 140 CO 0.28 -0.66 1.67 -0.29 0.13 0.00 0.00 175.17 176.31 2a6x h ILE 141 N 6.12 1.29 -0.01 4.11 6.09 -2.00 -2.79 117.51 130.31 2a6x h ILE 141 Ca -0.18 -1.44 0.00 0.00 -1.37 0.00 0.00 64.86 61.86 2a6x h ILE 141 Cb 1.06 1.52 0.00 0.00 0.47 0.00 0.00 36.82 39.87 2a6x h ILE 141 CO 0.83 0.45 0.00 -0.62 -3.07 0.00 0.00 178.15 175.73 2a6x n GLU 142 N -4.06 1.12 -0.09 2.19 -0.58 -1.26 -2.34 120.64 115.61 2a6x n GLU 142 Ca -0.01 -0.17 0.11 0.00 -0.42 0.00 0.00 57.16 56.67 2a6x n GLU 142 Cb 0.46 -1.43 0.34 0.00 -0.57 0.00 0.00 31.44 30.25 2a6x n GLU 142 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2a6x n SER 143 N -0.72 2.07 -3.70 1.62 3.41 -1.05 -5.00 113.62 110.24 2a6x n SER 143 Ca 0.20 -1.77 -0.22 0.00 -0.26 0.00 0.00 58.87 56.82 2a6x n SER 143 Cb 0.14 -0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.00 2a6x n SER 143 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2a6x n SER 144 N 0.59 -2.07 -1.33 4.04 7.64 -0.99 -4.92 113.62 116.60 2a6x n SER 144 Ca 0.17 -0.78 0.01 0.00 1.01 0.00 0.00 58.87 59.28 2a6x n SER 144 Cb 0.40 -4.18 0.20 0.00 -1.01 0.00 0.00 64.21 59.62 2a6x n SER 144 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2a6x n PRO 145 N -4.36 2.91 -2.07 1.43 -0.04 -1.26 -4.95 135.00 126.66 2a6x n PRO 145 Ca -0.23 -1.71 -0.37 0.00 -0.04 0.00 0.00 63.50 61.16 2a6x n PRO 145 Cb 0.65 -1.88 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 2a6x n PRO 145 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2a6x s TYR 146 N -1.93 2.55 -0.51 0.54 -0.85 -1.26 -4.82 117.35 111.06 2a6x s TYR 146 Ca 0.30 1.49 0.23 0.00 -0.52 0.00 0.00 57.07 58.57 2a6x s TYR 146 Cb 0.23 -3.50 0.13 0.00 0.38 0.00 0.00 41.96 39.20 2a6x s TYR 146 CO 0.08 -2.08 1.12 1.97 -1.52 0.00 0.00 175.55 175.12 2a6x n PHE 147 N -1.08 0.53 -3.54 -3.49 1.16 -0.28 -4.96 117.46 105.80 2a6x n PHE 147 Ca 0.11 0.15 -0.13 0.00 -1.87 0.00 0.00 57.45 55.71 2a6x n PHE 147 Cb 0.48 -0.65 -0.04 0.00 -1.61 0.00 0.00 39.48 37.66 2a6x n PHE 147 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a6x s ALA 148 N -3.24 -1.35 0.10 1.98 0.00 -1.23 -5.03 121.76 113.00 2a6x s ALA 148 Ca 0.03 0.49 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 2a6x s ALA 148 Cb 0.13 0.55 0.08 0.00 0.00 0.00 0.00 23.12 23.88 2a6x s ALA 148 CO 0.77 -0.59 0.77 -1.54 0.00 0.00 0.00 175.76 175.18 2a6x s SER 149 N -2.28 -0.41 0.13 0.00 1.04 -1.26 -1.00 113.70 109.92 2a6x s SER 149 Ca -0.02 -0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.17 2a6x s SER 149 Cb -0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.64 2a6x s SER 149 CO -0.06 -0.85 0.33 0.00 0.98 0.00 0.00 173.24 173.64 2a6x s LEU 151 N -2.87 4.41 -0.23 0.00 1.43 -1.26 -1.05 118.68 119.11 2a6x s LEU 151 Ca 0.08 1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 54.21 2a6x s LEU 151 Cb 0.03 -2.90 0.09 0.00 0.03 0.00 0.00 46.19 43.43 2a6x s LEU 151 CO -0.08 0.10 0.53 0.12 0.23 0.00 0.00 176.35 177.26 2a6x s PHE 152 N -0.18 -0.92 -0.20 0.29 5.36 -0.98 -4.87 117.98 116.49 2a6x s PHE 152 Ca 0.31 1.78 -0.25 0.00 -0.96 0.00 0.00 56.93 57.80 2a6x s PHE 152 Cb -0.18 0.48 -0.01 0.00 -0.34 0.00 0.00 43.02 42.97 2a6x s PHE 152 CO 0.17 -0.49 0.85 -1.14 -1.46 0.00 0.00 175.22 173.14 2a6x s GLN 153 N 2.06 4.26 0.00 10.12 0.74 -1.26 -3.59 119.66 131.98 2a6x s GLN 153 Ca -0.07 1.02 0.00 0.00 0.05 0.00 0.00 55.36 56.36 2a6x s GLN 153 Cb -0.09 -3.60 0.00 0.00 1.10 0.00 0.00 33.01 30.42 2a6x s GLN 153 CO -0.16 -0.41 0.00 2.48 -0.55 0.00 0.00 175.29 176.65 2a6x n TYR 154 N 5.55 0.00 -2.10 1.67 0.18 -1.26 -5.10 117.16 116.11 2a6x n TYR 154 Ca 0.05 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.42 2a6x n TYR 154 Cb 0.48 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.42 2a6x n TYR 154 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2a6x s GLN 155 N -1.22 4.33 -1.07 -3.48 -0.21 -1.26 -3.99 119.66 112.76 2a6x s GLN 155 Ca 0.00 2.22 -0.10 0.00 0.02 0.00 0.00 55.36 57.50 2a6x s GLN 155 Cb 0.00 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.87 2a6x s GLN 155 CO 0.00 -0.26 0.87 -3.47 -2.12 0.00 0.00 175.29 170.31 2a6x n ASP 156 N 1.45 -6.28 -3.88 5.90 2.03 -0.62 -4.89 116.55 110.26 2a6x n ASP 156 Ca 0.03 -0.79 -0.21 0.00 0.52 0.00 0.00 54.79 54.33 2a6x n ASP 156 Cb 0.41 -4.63 -0.17 0.00 -0.72 0.00 0.00 41.12 36.02 2a6x n ASP 156 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2a6x s SER 157 N -3.40 1.21 0.37 1.67 0.15 -0.35 -4.84 113.70 108.51 2a6x s SER 157 Ca 0.45 -0.14 0.17 0.00 0.70 0.00 0.00 55.95 57.12 2a6x s SER 157 Cb -0.09 -0.50 0.72 0.00 -1.71 0.00 0.00 66.02 64.44 2a6x s SER 157 CO 0.78 -0.08 1.77 0.24 1.20 0.00 0.00 173.24 177.15 2a6x h MET 158 N 7.44 0.00 -6.20 5.44 2.86 -1.96 -3.39 114.93 119.13 2a6x h MET 158 Ca -0.33 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.74 2a6x h MET 158 Cb 1.15 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.77 2a6x h MET 158 CO 0.43 0.39 0.93 0.08 1.06 0.00 0.00 176.91 179.79 2a6x s VAL 159 N -3.81 4.24 0.67 -2.22 1.01 -1.26 -4.98 120.40 114.04 2a6x s VAL 159 Ca -0.01 1.47 -0.14 0.00 0.00 0.00 0.00 61.98 63.30 2a6x s VAL 159 Cb 0.12 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2a6x s VAL 159 CO 0.70 -0.23 1.09 -2.84 0.00 0.00 0.00 175.10 173.81 2a6x s PRO 160 N 3.70 2.84 0.27 2.72 0.02 -1.26 -4.93 135.00 138.36 2a6x s PRO 160 Ca 0.55 1.26 0.09 0.00 0.02 0.00 0.00 61.00 62.92 2a6x s PRO 160 Cb -0.20 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 2a6x s PRO 160 CO 0.17 -1.20 0.05 -1.12 -0.33 0.00 0.00 177.00 174.57 2a6x s SER 161 N -2.91 4.75 -0.14 2.53 0.01 -0.01 -4.95 113.70 112.99 2a6x s SER 161 Ca 0.64 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 57.33 2a6x s SER 161 Cb -0.18 -0.95 0.02 0.00 0.21 0.00 0.00 66.02 65.12 2a6x s SER 161 CO 0.45 -0.04 -0.15 -0.89 0.41 0.00 0.00 173.24 173.02 2a6x s THR 162 N -2.30 1.59 -0.20 1.44 2.01 -1.26 -0.98 115.64 115.93 2a6x s THR 162 Ca 0.32 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.48 2a6x s THR 162 Cb -0.06 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 2a6x s THR 162 CO 0.21 0.46 0.53 -0.22 -0.69 0.00 0.00 174.62 174.91 2a6x s LEU 163 N 1.28 4.14 -0.17 4.42 0.20 0.17 -1.07 118.68 127.66 2a6x s LEU 163 Ca 0.01 0.69 0.01 0.00 0.69 0.00 0.00 54.13 55.52 2a6x s LEU 163 Cb -0.14 -2.72 0.03 0.00 -0.43 0.00 0.00 46.19 42.93 2a6x s LEU 163 CO -0.07 -0.19 -0.15 -0.60 -0.29 0.00 0.00 176.35 175.05 2a6x s ARG 164 N 1.68 2.42 -0.25 1.98 3.52 0.19 -1.16 118.95 127.32 2a6x s ARG 164 Ca 0.24 -0.73 -0.06 0.00 -0.13 0.00 0.00 55.73 55.05 2a6x s ARG 164 Cb -0.15 -2.34 -0.02 0.00 -1.56 0.00 0.00 34.95 30.88 2a6x s ARG 164 CO 0.10 -0.29 0.04 -1.17 -0.81 0.00 0.00 175.30 173.16 2a6x s LEU 165 N 1.40 3.33 -0.05 -0.88 0.20 0.07 -0.62 118.68 122.13 2a6x s LEU 165 Ca 0.03 -0.34 0.04 0.00 0.69 0.00 0.00 54.13 54.55 2a6x s LEU 165 Cb -0.14 -1.86 -0.02 0.00 -0.43 0.00 0.00 46.19 43.74 2a6x s LEU 165 CO -0.10 -0.05 -0.16 0.42 -0.29 0.00 0.00 176.35 176.16 2a6x s THR 166 N 1.55 2.89 -0.09 3.68 -4.23 -0.10 -0.75 115.64 118.60 2a6x s THR 166 Ca 0.06 -0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 59.75 2a6x s THR 166 Cb -0.15 -2.12 0.05 0.00 1.34 0.00 0.00 72.50 71.61 2a6x s THR 166 CO 0.01 0.58 0.18 -0.47 -0.54 0.00 0.00 174.62 174.39 2a6x s TYR 167 N -0.61 -0.23 -0.36 3.99 5.04 0.00 -1.11 117.35 124.07 2a6x s TYR 167 Ca 0.09 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 2a6x s TYR 167 Cb -0.11 -0.11 0.12 0.00 0.35 0.00 0.00 41.96 42.20 2a6x s TYR 167 CO 0.01 -0.24 0.16 1.21 -1.34 0.00 0.00 175.55 175.35 2a6x s ASN 168 N 1.73 3.81 0.41 4.32 2.47 -0.23 -1.53 114.94 125.91 2a6x s ASN 168 Ca -0.04 -2.04 0.13 0.00 0.42 0.00 0.00 52.86 51.33 2a6x s ASN 168 Cb -0.12 -0.89 0.97 0.00 -1.45 0.00 0.00 41.25 39.76 2a6x s ASN 168 CO -0.07 -0.35 1.93 -0.65 -3.72 0.00 0.00 177.10 174.24 2a6x h PRO 169 N 7.51 0.48 0.00 0.43 0.11 -1.85 -1.53 132.00 137.15 2a6x h PRO 169 Ca -0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2a6x h PRO 169 Cb 0.98 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2a6x h PRO 169 CO 0.46 0.32 0.00 -0.07 -0.21 0.00 0.00 178.00 178.50 2a6x h LEU 170 N 0.50 0.00 -4.38 2.35 3.38 -1.94 -2.45 115.31 112.77 2a6x h LEU 170 Ca 0.35 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.64 2a6x h LEU 170 Cb 0.68 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.11 2a6x h LEU 170 CO -0.12 0.00 0.53 -0.67 0.09 0.00 0.00 178.44 178.27 2a6x n ASP 171 N -2.43 6.93 -3.99 -0.43 2.03 -0.61 -4.86 116.55 113.20 2a6x n ASP 171 Ca 0.01 -3.79 -0.27 0.00 0.52 0.00 0.00 54.79 51.25 2a6x n ASP 171 Cb 0.20 -0.87 -0.02 0.00 -0.72 0.00 0.00 41.12 39.72 2a6x n ASP 171 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2a6x n ASN 172 N -0.71 -1.22 -2.35 1.67 4.05 -0.95 -2.81 115.26 112.95 2a6x n ASN 172 Ca 0.55 -0.98 -0.17 0.00 0.45 0.00 0.00 54.58 54.43 2a6x n ASN 172 Cb 0.55 -3.11 0.03 0.00 1.23 0.00 0.00 39.78 38.48 2a6x n ASN 172 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 2a6x n HIS 173 N -4.41 -1.54 -2.00 1.20 8.25 -1.01 -4.83 115.22 110.88 2a6x n HIS 173 Ca -0.21 0.43 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 2a6x n HIS 173 Cb 0.64 -3.65 -0.03 0.00 1.12 0.00 0.00 29.99 28.07 2a6x n HIS 173 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2a6x s LEU 174 N -5.15 4.34 -0.15 2.41 2.96 -1.12 -4.31 118.68 117.67 2a6x s LEU 174 Ca 0.25 2.33 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 2a6x s LEU 174 Cb -0.11 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.03 2a6x s LEU 174 CO 0.31 -0.88 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.07 2a6x s LEU 175 N 3.22 2.40 -0.06 -0.68 0.20 0.09 -1.07 118.68 122.78 2a6x s LEU 175 Ca 0.73 -0.49 0.05 0.00 0.69 0.00 0.00 54.13 55.11 2a6x s LEU 175 Cb -0.36 -1.54 -0.02 0.00 -0.43 0.00 0.00 46.19 43.85 2a6x s LEU 175 CO 0.31 0.09 -0.22 -0.75 -0.29 0.00 0.00 176.35 175.49 2a6x s LYS 176 N 0.77 2.55 -0.21 1.98 2.20 -0.27 -1.08 119.74 125.68 2a6x s LYS 176 Ca -0.06 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.72 2a6x s LYS 176 Cb -0.15 -2.23 0.04 0.00 -1.51 0.00 0.00 37.83 33.97 2a6x s LYS 176 CO 0.00 0.45 -0.15 -1.17 -0.36 0.00 0.00 175.35 174.12 2a6x s LEU 177 N -0.31 2.54 -0.02 5.43 1.98 -0.18 -0.92 118.68 127.20 2a6x s LEU 177 Ca 0.01 -0.93 0.03 0.00 -2.89 0.00 0.00 54.13 50.35 2a6x s LEU 177 Cb -0.13 -1.43 -0.03 0.00 0.66 0.00 0.00 46.19 45.26 2a6x s LEU 177 CO 0.02 -0.09 -0.08 -1.10 -1.89 0.00 0.00 176.35 173.21 2a6x s GLN 178 N 1.27 2.59 -0.17 1.98 -0.21 0.21 -0.69 119.66 124.64 2a6x s GLN 178 Ca -0.01 -0.68 -0.00 0.00 0.02 0.00 0.00 55.36 54.69 2a6x s GLN 178 Cb -0.16 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 31.35 2a6x s GLN 178 CO -0.09 0.62 -0.15 -1.64 -2.12 0.00 0.00 175.29 171.91 2a6x s MET 179 N -1.19 3.19 -1.64 2.91 -1.94 -0.28 -0.64 119.30 119.70 2a6x s MET 179 Ca 0.15 -0.75 -0.17 0.00 -1.71 0.00 0.00 55.69 53.21 2a6x s MET 179 Cb -0.11 -2.66 0.13 0.00 2.01 0.00 0.00 34.83 34.21 2a6x s MET 179 CO 0.05 -0.05 0.86 -0.25 -0.01 0.00 0.00 175.02 175.62 2a6x n ASP 180 N 4.26 -3.87 -0.97 3.03 8.00 -0.23 -1.44 116.55 125.33 2a6x n ASP 180 Ca -0.19 -0.92 -0.12 0.00 0.71 0.00 0.00 54.79 54.26 2a6x n ASP 180 Cb 0.51 -3.18 -0.05 0.00 -0.02 0.00 0.00 41.12 38.38 2a6x n ASP 180 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2a6x n ASN 181 N -2.72 -4.46 -4.32 -2.24 3.02 -1.26 -5.00 115.26 98.27 2a6x n ASN 181 Ca 0.06 0.29 -0.32 0.00 -0.03 0.00 0.00 54.58 54.59 2a6x n ASN 181 Cb 0.50 -3.08 -0.16 0.00 -0.61 0.00 0.00 39.78 36.44 2a6x n ASN 181 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2a6x s ARG 182 N -3.13 2.47 0.11 3.52 0.52 -0.52 -5.07 118.95 116.85 2a6x s ARG 182 Ca 0.00 -0.86 -0.31 0.00 -0.52 0.00 0.00 55.73 54.04 2a6x s ARG 182 Cb 0.00 -2.19 -0.08 0.00 0.52 0.00 0.00 34.95 33.20 2a6x s ARG 182 CO 0.00 0.46 1.38 0.08 0.02 0.00 0.00 175.30 177.24 2a6x s VAL 183 N -0.36 3.37 -0.19 3.52 1.01 -1.26 -1.12 120.40 125.37 2a6x s VAL 183 Ca 0.02 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 2a6x s VAL 183 Cb -0.12 -3.63 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 2a6x s VAL 183 CO 0.02 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.20 2a6x s PHE 185 N -2.36 -0.27 0.05 0.00 -0.12 -1.12 -4.57 117.98 109.59 2a6x s PHE 185 Ca -0.25 -0.04 0.03 0.00 -0.05 0.00 0.00 56.93 56.62 2a6x s PHE 185 Cb 0.05 0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 2a6x s PHE 185 CO 0.45 -0.91 -0.10 -0.65 -0.05 0.00 0.00 175.22 173.97 2a6x s GLN 186 N -3.83 0.62 0.07 1.99 -0.21 -1.26 -1.02 119.66 116.02 2a6x s GLN 186 Ca 0.06 -0.78 -0.24 0.00 0.02 0.00 0.00 55.36 54.42 2a6x s GLN 186 Cb -0.01 -0.47 0.06 0.00 1.00 0.00 0.00 33.01 33.59 2a6x s GLN 186 CO -0.06 0.10 0.58 -0.08 -2.12 0.00 0.00 175.29 173.70 2a6x s THR 187 N -1.26 0.02 -0.11 -0.19 -1.32 -0.24 -5.01 115.64 107.52 2a6x s THR 187 Ca -0.07 -0.12 0.06 0.00 -1.21 0.00 0.00 61.69 60.35 2a6x s THR 187 Cb -0.09 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.01 2a6x s THR 187 CO 0.01 -0.07 1.07 0.54 -2.21 0.00 0.00 174.62 173.96 2a6x n ARG 188 N 0.22 2.54 0.16 7.08 1.74 -1.26 -0.73 116.66 126.41 2a6x n ARG 188 Ca -0.18 -1.87 0.04 0.00 -0.77 0.00 0.00 57.85 55.07 2a6x n ARG 188 Cb 0.61 -1.18 0.18 0.00 -1.02 0.00 0.00 32.46 31.06 2a6x n ARG 188 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2a6x h LYS 189 N 0.22 0.00 -5.51 5.56 1.57 -1.93 -3.42 116.57 113.05 2a6x h LYS 189 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 2a6x h LYS 189 Cb 0.68 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.85 2a6x h LYS 189 CO 0.01 0.44 0.18 0.08 -0.57 0.00 0.00 179.45 179.58 2a6x s VAL 190 N -3.26 4.82 0.00 0.50 1.01 -1.26 -4.88 120.40 117.33 2a6x s VAL 190 Ca 0.02 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2a6x s VAL 190 Cb 0.09 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2a6x s VAL 190 CO 0.71 -0.51 0.00 0.29 0.00 0.00 0.00 175.10 175.60 2a6x n LYS 191 N 6.26 2.86 0.28 2.72 5.02 -1.26 -4.81 118.16 129.23 2a6x n LYS 191 Ca -0.01 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2a6x n LYS 191 Cb 0.48 -0.74 0.82 0.00 -0.02 0.00 0.00 35.03 35.57 2a6x n LYS 191 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2a6x h PHE 192 N 0.00 0.00 0.00 2.13 -5.15 -1.98 -2.55 116.94 109.39 2a6x h PHE 192 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2a6x h PHE 192 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 2a6x h PHE 192 CO 0.00 0.04 0.00 0.52 -2.00 0.00 0.00 178.31 176.87 2a6x h MET 193 N 0.00 0.00 0.00 6.09 2.86 -1.87 -2.72 114.93 119.28 2a6x h MET 193 Ca -0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2a6x h MET 193 Cb 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2a6x h MET 193 CO 0.01 0.00 -0.42 0.78 1.06 0.00 0.00 176.91 178.34 2a6x h GLY 194 N 2.69 0.00 0.00 8.32 0.00 -1.82 -3.37 103.07 108.88 2a6x h GLY 194 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a6x h GLY 194 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 2a6x n SER 195 N -3.78 0.72 -3.92 0.19 3.41 -1.18 -4.85 113.62 104.21 2a6x n SER 195 Ca -0.01 -1.23 -0.10 0.00 -0.26 0.00 0.00 58.87 57.27 2a6x n SER 195 Cb 0.48 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 2a6x n SER 195 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2a6x s SER 196 N -0.23 0.12 0.53 4.04 1.04 -1.04 -5.14 113.70 113.03 2a6x s SER 196 Ca 0.00 -0.33 -0.20 0.00 0.48 0.00 0.00 55.95 55.89 2a6x s SER 196 Cb 0.00 0.16 -0.06 0.00 0.10 0.00 0.00 66.02 66.22 2a6x s SER 196 CO 0.00 -0.33 1.15 -2.84 0.98 0.00 0.00 173.24 172.20 2a6x s PRO 197 N -1.39 3.39 0.13 4.02 0.02 -1.26 -4.65 135.00 135.25 2a6x s PRO 197 Ca -0.15 1.68 -0.09 0.00 0.02 0.00 0.00 61.00 62.46 2a6x s PRO 197 Cb -0.09 -2.08 -0.00 0.00 0.02 0.00 0.00 34.50 32.35 2a6x s PRO 197 CO 0.00 -0.84 0.24 -0.59 -0.33 0.00 0.00 177.00 175.49 2a6x s PHE 198 N -1.69 0.27 -0.04 6.54 -0.71 -0.75 -4.55 117.98 117.06 2a6x s PHE 198 Ca 0.71 -0.67 -0.03 0.00 -1.04 0.00 0.00 56.93 55.91 2a6x s PHE 198 Cb -0.26 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 2a6x s PHE 198 CO 0.30 -0.64 0.11 1.03 -1.34 0.00 0.00 175.22 174.68 2a6x s ARG 199 N -3.91 3.24 -0.10 1.99 0.52 0.73 -1.00 118.95 120.41 2a6x s ARG 199 Ca 0.11 -0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.00 2a6x s ARG 199 Cb 0.04 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.53 2a6x s ARG 199 CO -0.05 0.69 -0.22 0.42 0.02 0.00 0.00 175.30 176.15 2a6x s ILE 200 N -1.16 1.96 0.18 1.52 1.01 -1.26 -1.15 121.20 122.29 2a6x s ILE 200 Ca 0.21 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.74 2a6x s ILE 200 Cb -0.12 -1.71 0.06 0.00 0.01 0.00 0.00 42.46 40.71 2a6x s ILE 200 CO 0.12 0.54 0.85 0.61 0.00 0.00 0.00 174.94 177.05 2a6x n GLY 201 N 3.67 0.77 3.13 6.18 0.00 -0.99 -1.19 105.19 116.75 2a6x n GLY 201 Ca -0.20 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 2a6x n GLY 201 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a6x s THR 202 N -2.15 0.10 0.10 2.61 -1.32 -0.30 -0.73 115.64 113.95 2a6x s THR 202 Ca 0.19 -0.86 -0.17 0.00 -1.21 0.00 0.00 61.69 59.64 2a6x s THR 202 Cb -0.03 -0.68 0.04 0.00 -1.51 0.00 0.00 72.50 70.32 2a6x s THR 202 CO 0.05 -0.47 0.41 -0.94 -2.21 0.00 0.00 174.62 171.46 2a6x s SER 203 N -1.76 -0.25 0.11 8.08 1.04 -0.50 -1.13 113.70 119.28 2a6x s SER 203 Ca -0.10 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 2a6x s SER 203 Cb -0.04 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.54 2a6x s SER 203 CO -0.01 -0.79 0.25 0.00 0.98 0.00 0.00 173.24 173.67 2a6x s ALA 204 N -3.35 -0.34 -0.01 5.32 0.00 -0.36 -0.45 121.76 122.57 2a6x s ALA 204 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2a6x s ALA 204 Cb 0.01 0.58 -0.00 0.00 0.00 0.00 0.00 23.12 23.71 2a6x s ALA 204 CO -0.09 -0.56 0.04 -1.50 0.00 0.00 0.00 175.76 173.66 2a6x s ILE 205 N -3.86 0.04 0.00 0.00 2.07 -0.83 -1.96 121.20 116.66 2a6x s ILE 205 Ca 0.06 -0.36 0.00 0.00 -1.41 0.00 0.00 60.65 58.95 2a6x s ILE 205 Cb 0.04 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.45 2a6x s ILE 205 CO -0.10 -0.20 0.00 -0.46 -1.91 0.00 0.00 174.94 172.28 2a6x n ASN 206 N 2.41 1.91 -0.28 4.50 0.23 -0.94 -1.39 115.26 121.70 2a6x n ASN 206 Ca -0.17 -0.15 0.00 0.00 -0.53 0.00 0.00 54.58 53.73 2a6x n ASN 206 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 2a6x n ASN 206 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2a6x n ASP 207 N -0.16 0.27 0.19 0.53 5.68 -1.26 -4.38 116.55 117.43 2a6x n ASP 207 Ca 0.00 -0.25 0.14 0.00 -0.50 0.00 0.00 54.79 54.18 2a6x n ASP 207 Cb 0.00 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 40.63 2a6x n ASP 207 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2a6x h ALA 208 N 1.00 1.00 0.00 2.12 0.00 -1.93 -1.69 119.26 119.76 2a6x h ALA 208 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a6x h ALA 208 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2a6x h ALA 208 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 2a6x n SER 209 N -2.50 0.00 -1.99 0.00 7.64 -1.26 -4.82 113.62 110.70 2a6x n SER 209 Ca 0.00 0.26 -0.16 0.00 1.01 0.00 0.00 58.87 59.98 2a6x n SER 209 Cb 0.16 -0.39 0.01 0.00 -1.01 0.00 0.00 64.21 62.97 2a6x n SER 209 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2a6x n LYS 210 N -1.39 -2.36 -1.58 1.43 5.02 -0.68 -4.79 118.16 113.80 2a6x n LYS 210 Ca 0.07 0.70 -0.51 0.00 -2.02 0.00 0.00 58.31 56.55 2a6x n LYS 210 Cb 0.19 -5.05 -0.06 0.00 -0.02 0.00 0.00 35.03 30.09 2a6x n LYS 210 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2a6x n GLU 211 N -2.79 1.13 -3.55 1.97 2.13 -1.26 -4.79 120.64 113.47 2a6x n GLU 211 Ca -0.13 0.40 -0.41 0.00 0.66 0.00 0.00 57.16 57.68 2a6x n GLU 211 Cb 0.61 -2.01 -0.08 0.00 0.27 0.00 0.00 31.44 30.24 2a6x n GLU 211 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2a6x s SER 212 N 0.35 5.79 -0.10 4.31 0.15 -0.53 -4.79 113.70 118.88 2a6x s SER 212 Ca 0.82 -2.23 -0.27 0.00 0.70 0.00 0.00 55.95 54.97 2a6x s SER 212 Cb -0.94 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 61.34 2a6x s SER 212 CO 0.48 -0.61 0.87 -0.36 1.20 0.00 0.00 173.24 174.82 2a6x s PHE 213 N 0.88 3.51 0.01 3.44 0.08 -1.26 -1.47 117.98 123.17 2a6x s PHE 213 Ca 0.10 1.41 0.03 0.00 0.12 0.00 0.00 56.93 58.59 2a6x s PHE 213 Cb -0.22 -3.03 -0.01 0.00 -0.57 0.00 0.00 43.02 39.18 2a6x s PHE 213 CO -0.03 -0.13 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.65 2a6x s GLU 214 N 1.66 0.79 -0.21 0.44 2.02 0.26 -0.51 118.70 123.14 2a6x s GLU 214 Ca 0.43 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 54.91 2a6x s GLU 214 Cb -0.18 -0.75 -0.00 0.00 0.10 0.00 0.00 34.13 33.30 2a6x s GLU 214 CO 0.17 0.20 -0.07 0.42 0.02 0.00 0.00 175.26 176.00 2a6x s ILE 215 N -0.48 3.13 -0.19 -1.63 -1.09 -0.13 -1.37 121.20 119.44 2a6x s ILE 215 Ca 0.02 -0.58 0.12 0.00 -2.23 0.00 0.00 60.65 57.98 2a6x s ILE 215 Cb -0.05 -2.41 -0.23 0.00 -1.58 0.00 0.00 42.46 38.19 2a6x s ILE 215 CO 0.00 0.45 0.11 0.18 -1.23 0.00 0.00 174.94 174.44 2a6x n LEU 216 N 4.73 1.01 -3.60 2.97 4.32 0.35 -1.24 117.00 125.54 2a6x n LEU 216 Ca -0.19 0.04 -0.15 0.00 -0.02 0.00 0.00 56.01 55.70 2a6x n LEU 216 Cb 0.51 0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.26 2a6x n LEU 216 CO 0.28 0.61 0.27 -0.54 -1.22 0.00 0.00 177.39 176.79 2a6x s LYS 217 N -2.52 0.98 -0.17 3.23 1.02 -1.12 -4.66 119.74 116.51 2a6x s LYS 217 Ca -0.16 -0.14 -0.10 0.00 0.02 0.00 0.00 55.97 55.59 2a6x s LYS 217 Cb 0.07 0.45 0.06 0.00 -0.52 0.00 0.00 37.83 37.89 2a6x s LYS 217 CO 0.77 -0.34 0.42 1.41 -0.92 0.00 0.00 175.35 176.69 2a6x s MET 218 N -2.06 0.40 0.00 1.68 1.75 -1.26 -1.13 119.30 118.68 2a6x s MET 218 Ca -0.07 0.79 0.03 0.00 -1.25 0.00 0.00 55.69 55.18 2a6x s MET 218 Cb -0.01 -0.01 -0.01 0.00 2.84 0.00 0.00 34.83 37.64 2a6x s MET 218 CO 0.01 -0.16 -0.08 0.15 -0.65 0.00 0.00 175.02 174.30 2a6x s LYS 219 N 1.37 0.64 -0.02 4.11 1.02 -0.46 -0.99 119.74 125.41 2a6x s LYS 219 Ca -0.09 -0.37 0.06 0.00 0.02 0.00 0.00 55.97 55.59 2a6x s LYS 219 Cb -0.08 -0.60 -0.02 0.00 -0.52 0.00 0.00 37.83 36.60 2a6x s LYS 219 CO -0.13 0.16 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.09 2a6x s LEU 220 N -0.41 2.42 -0.02 3.17 0.20 -1.25 -0.77 118.68 122.01 2a6x s LEU 220 Ca 0.01 -0.35 0.06 0.00 0.69 0.00 0.00 54.13 54.55 2a6x s LEU 220 Cb -0.04 -1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 44.25 2a6x s LEU 220 CO -0.00 0.32 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.86 2a6x s TYR 221 N -0.71 1.95 -0.00 5.38 2.02 0.32 -0.52 117.35 125.80 2a6x s TYR 221 Ca 0.11 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2a6x s TYR 221 Cb -0.10 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 2a6x s TYR 221 CO 0.00 -0.06 1.72 -0.25 -1.57 0.00 0.00 175.55 175.40 2a6x n ASP 222 N 2.62 4.70 -2.37 2.29 8.00 -1.26 -1.70 116.55 128.83 2a6x n ASP 222 Ca -0.16 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.04 2a6x n ASP 222 Cb 0.53 -0.95 0.01 0.00 -0.02 0.00 0.00 41.12 40.68 2a6x n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a6x n GLY 223 N 1.21 0.62 3.83 0.44 0.00 -1.01 -4.55 105.19 105.72 2a6x n GLY 223 Ca 0.00 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 2a6x n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a6x s VAL 224 N -2.17 4.86 0.00 1.61 1.01 -1.26 -2.13 120.40 122.32 2a6x s VAL 224 Ca 0.14 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2a6x s VAL 224 Cb -0.01 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2a6x s VAL 224 CO 0.01 0.45 0.42 2.30 0.00 0.00 0.00 175.10 178.28