#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5i s SER 2 N 0.00 -0.24 0.11 1.61 0.01 -1.26 -5.19 113.70 108.75 1x5i s SER 2 Ca 0.00 0.17 -0.25 0.00 1.31 0.00 0.00 55.95 57.18 1x5i s SER 2 Cb 0.00 0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.53 1x5i s SER 2 CO 0.00 -0.28 1.11 -0.44 0.41 0.00 0.00 173.24 174.04 1x5i s SER 3 N -1.53 -0.03 0.00 2.44 0.01 -1.26 -5.19 113.70 108.14 1x5i s SER 3 Ca 0.04 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1x5i s SER 3 Cb -0.01 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1x5i s SER 3 CO -0.03 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1x5i n GLY 4 N -0.68 0.93 3.64 3.44 0.00 -1.26 -5.18 105.19 106.09 1x5i n GLY 4 Ca -0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 1x5i n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5i s SER 5 N 0.00 -0.35 -0.12 1.61 1.04 -1.26 -5.18 113.70 109.45 1x5i s SER 5 Ca 0.00 0.64 -0.30 0.00 0.48 0.00 0.00 55.95 56.77 1x5i s SER 5 Cb 0.00 0.77 0.10 0.00 0.10 0.00 0.00 66.02 66.99 1x5i s SER 5 CO 0.00 -0.11 0.84 -0.55 0.98 0.00 0.00 173.24 174.41 1x5i s SER 6 N 0.44 -0.52 -0.31 7.02 0.15 -1.26 -5.13 113.70 114.09 1x5i s SER 6 Ca 0.01 0.60 -0.11 0.00 0.70 0.00 0.00 55.95 57.15 1x5i s SER 6 Cb -0.05 0.47 0.19 0.00 -1.71 0.00 0.00 66.02 64.93 1x5i s SER 6 CO -0.10 -0.46 1.11 -0.83 1.20 0.00 0.00 173.24 174.16 1x5i s GLY 7 N -1.05 -1.65 1.02 9.45 0.00 -1.26 -5.17 107.32 108.66 1x5i s GLY 7 Ca -0.06 1.30 -0.13 0.00 0.00 0.00 0.00 44.72 45.83 1x5i s GLY 7 CO 0.05 4.39 1.09 2.56 0.00 0.00 0.00 173.10 181.19 1x5i s PRO 8 N 1.82 0.24 -0.25 2.90 0.04 -1.26 -5.09 135.00 133.41 1x5i s PRO 8 Ca 0.16 0.46 -0.13 0.00 0.04 0.00 0.00 61.00 61.53 1x5i s PRO 8 Cb 0.06 -1.72 0.08 0.00 0.04 0.00 0.00 34.50 32.96 1x5i s PRO 8 CO -0.15 -2.85 0.59 0.00 0.04 0.00 0.00 177.00 174.64 1x5i s ALA 9 N -2.97 -1.63 -0.14 8.56 0.00 -1.26 -5.15 121.76 119.17 1x5i s ALA 9 Ca 0.66 2.12 -0.06 0.00 0.00 0.00 0.00 51.96 54.68 1x5i s ALA 9 Cb -0.18 -1.32 0.06 0.00 0.00 0.00 0.00 23.12 21.68 1x5i s ALA 9 CO 0.58 -0.43 0.31 -0.08 0.00 0.00 0.00 175.76 176.13 1x5i s THR 10 N 1.76 -0.33 0.10 0.00 -1.32 -1.26 -5.16 115.64 109.44 1x5i s THR 10 Ca -0.09 0.21 -0.16 0.00 -1.21 0.00 0.00 61.69 60.44 1x5i s THR 10 Cb -0.07 -0.49 0.03 0.00 -1.51 0.00 0.00 72.50 70.46 1x5i s THR 10 CO -0.18 0.09 0.38 -1.81 -2.21 0.00 0.00 174.62 170.89 1x5i s ASP 11 N 2.07 -0.20 -0.10 8.08 1.11 -1.26 -5.12 116.67 121.25 1x5i s ASP 11 Ca -0.03 -0.29 -0.29 0.00 0.18 0.00 0.00 52.55 52.12 1x5i s ASP 11 Cb -0.11 0.44 -0.06 0.00 1.07 0.00 0.00 42.92 44.27 1x5i s ASP 11 CO -0.10 -0.79 1.82 -1.66 1.18 0.00 0.00 175.17 175.62 1x5i s TRP 12 N -3.50 1.68 -0.07 4.23 1.48 -1.26 -4.98 118.94 116.52 1x5i s TRP 12 Ca 0.01 0.16 0.04 0.00 -1.06 0.00 0.00 56.10 55.25 1x5i s TRP 12 Cb 0.02 -4.03 -0.00 0.00 -1.16 0.00 0.00 33.47 28.29 1x5i s TRP 12 CO -0.10 -4.13 -0.20 -0.48 -4.06 0.00 0.00 176.95 167.98 1x5i s LEU 13 N 5.17 1.96 -1.33 -4.66 2.34 -1.26 -4.75 118.68 116.16 1x5i s LEU 13 Ca 0.82 -0.44 -0.17 0.00 0.06 0.00 0.00 54.13 54.39 1x5i s LEU 13 Cb -0.34 -1.18 0.17 0.00 -0.56 0.00 0.00 46.19 44.29 1x5i s LEU 13 CO 0.34 0.16 0.42 -1.54 -1.06 0.00 0.00 176.35 174.67 1x5i n SER 14 N 3.29 -1.33 -4.85 1.48 3.41 -1.26 -4.85 113.62 109.51 1x5i n SER 14 Ca -0.19 -0.85 -0.35 0.00 -0.26 0.00 0.00 58.87 57.22 1x5i n SER 14 Cb 0.52 -1.17 -0.06 0.00 -0.26 0.00 0.00 64.21 63.25 1x5i n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5i s ALA 15 N -2.61 3.59 0.62 7.33 0.00 -1.26 -5.08 121.76 124.35 1x5i s ALA 15 Ca 0.59 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 1x5i s ALA 15 Cb -0.34 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1x5i s ALA 15 CO 0.72 0.47 1.03 -1.83 0.00 0.00 0.00 175.76 176.16 1x5i s GLU 16 N -2.10 3.47 -0.29 0.00 -1.05 -1.26 -5.07 118.70 112.39 1x5i s GLU 16 Ca 0.39 0.86 -0.01 0.00 -0.15 0.00 0.00 54.97 56.06 1x5i s GLU 16 Cb -0.14 -2.06 0.18 0.00 -0.44 0.00 0.00 34.13 31.67 1x5i s GLU 16 CO 0.19 -0.67 0.57 0.99 0.95 0.00 0.00 175.26 177.29 1x5i s THR 17 N -3.02 -0.95 -0.67 1.83 2.01 -1.26 -5.06 115.64 108.52 1x5i s THR 17 Ca 0.57 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.59 1x5i s THR 17 Cb -0.12 -0.98 0.34 0.00 0.01 0.00 0.00 72.50 71.76 1x5i s THR 17 CO 0.50 -0.02 1.18 0.49 -0.69 0.00 0.00 174.62 176.08 1x5i n PHE 18 N 5.42 3.70 -2.53 4.92 3.01 -1.26 -4.74 117.46 125.98 1x5i n PHE 18 Ca -0.01 -3.57 -0.10 0.00 1.01 0.00 0.00 57.45 54.78 1x5i n PHE 18 Cb 0.51 -0.62 0.04 0.00 -0.01 0.00 0.00 39.48 39.39 1x5i n PHE 18 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1x5i n GLU 19 N -0.24 2.41 0.09 -1.08 0.28 -1.26 -4.84 120.64 116.00 1x5i n GLU 19 Ca 0.36 -3.76 -0.19 0.00 -0.16 0.00 0.00 57.16 53.40 1x5i n GLU 19 Cb 0.38 -1.84 -0.11 0.00 1.43 0.00 0.00 31.44 31.30 1x5i n GLU 19 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1x5i h SER 20 N 2.50 0.71 -2.13 -1.84 4.64 -2.04 -3.38 113.55 112.01 1x5i h SER 20 Ca 0.06 -0.66 -0.58 0.00 -0.47 0.00 0.00 61.79 60.14 1x5i h SER 20 Cb 1.33 -0.22 -0.41 0.00 -0.31 0.00 0.00 62.40 62.79 1x5i h SER 20 CO 0.44 1.48 -0.78 -0.67 -0.87 0.00 0.00 176.83 176.42 1x5i n ASP 21 N -3.73 2.61 -3.91 4.97 -0.08 -1.26 -5.07 116.55 110.08 1x5i n ASP 21 Ca -0.11 -3.22 -0.10 0.00 -1.51 0.00 0.00 54.79 49.85 1x5i n ASP 21 Cb 0.96 -0.65 -0.09 0.00 2.34 0.00 0.00 41.12 43.68 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1x5i s LEU 22 N -2.19 1.72 -0.35 -2.67 1.43 -1.26 -5.01 118.68 110.36 1x5i s LEU 22 Ca 0.39 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.76 1x5i s LEU 22 Cb 0.18 0.67 0.00 0.00 0.03 0.00 0.00 46.19 47.07 1x5i s LEU 22 CO -0.06 -0.52 0.72 -1.81 0.23 0.00 0.00 176.35 174.92 1x5i s ASP 23 N -2.14 6.52 -0.22 2.29 1.01 -0.32 -4.91 116.67 118.91 1x5i s ASP 23 Ca -0.05 0.34 0.16 0.00 0.71 0.00 0.00 52.55 53.71 1x5i s ASP 23 Cb -0.01 -2.37 0.47 0.00 1.01 0.00 0.00 42.92 42.02 1x5i s ASP 23 CO -0.05 -0.65 1.17 1.21 0.21 0.00 0.00 175.17 177.06 1x5i n GLU 24 N 6.22 2.13 -0.02 8.23 2.13 -1.26 -1.78 120.64 136.29 1x5i n GLU 24 Ca 0.01 -3.49 0.04 0.00 0.66 0.00 0.00 57.16 54.38 1x5i n GLU 24 Cb 0.48 -1.61 -0.09 0.00 0.27 0.00 0.00 31.44 30.49 1x5i n GLU 24 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1x5i n THR 25 N -0.56 0.16 -4.50 6.31 -2.24 -1.26 -4.64 114.28 107.54 1x5i n THR 25 Ca 0.22 -0.32 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 1x5i n THR 25 Cb 0.90 0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.05 1x5i n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5i s ARG 26 N -2.72 1.74 0.42 -0.78 1.70 -1.26 -4.95 118.95 113.09 1x5i s ARG 26 Ca -0.05 -1.86 -0.19 0.00 -0.47 0.00 0.00 55.73 53.17 1x5i s ARG 26 Cb 0.07 -1.69 -0.10 0.00 -0.57 0.00 0.00 34.95 32.66 1x5i s ARG 26 CO 0.49 0.21 0.90 0.14 -1.08 0.00 0.00 175.30 175.96 1x5i s VAL 27 N -2.60 4.49 -0.52 4.99 -7.23 -1.26 -4.73 120.40 113.53 1x5i s VAL 27 Ca 0.31 1.30 -0.27 0.00 -1.81 0.00 0.00 61.98 61.51 1x5i s VAL 27 Cb -0.00 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 1x5i s VAL 27 CO 0.15 -0.34 1.81 -2.16 -0.31 0.00 0.00 175.10 174.25 1x5i s PRO 28 N -3.27 2.88 1.03 4.82 0.04 -1.26 -4.93 135.00 134.32 1x5i s PRO 28 Ca 0.59 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.34 1x5i s PRO 28 Cb -0.09 -4.31 0.11 0.00 0.04 0.00 0.00 34.50 30.24 1x5i s PRO 28 CO 0.17 -2.41 0.44 0.39 0.04 0.00 0.00 177.00 175.63 1x5i n GLU 29 N 8.90 -1.02 -1.29 4.56 -0.58 -1.26 -4.19 120.64 125.76 1x5i n GLU 29 Ca 0.21 -0.26 -0.45 0.00 -0.42 0.00 0.00 57.16 56.23 1x5i n GLU 29 Cb 0.50 -1.91 -0.03 0.00 -0.57 0.00 0.00 31.44 29.43 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1x5i n VAL 30 N -4.13 1.61 -1.20 2.62 3.14 -1.26 -4.83 118.33 114.28 1x5i n VAL 30 Ca 0.05 -0.40 -0.30 0.00 -2.96 0.00 0.00 64.34 60.73 1x5i n VAL 30 Cb 0.56 0.00 0.14 0.00 -1.06 0.00 0.00 33.84 33.49 1x5i n VAL 30 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1x5i s PRO 31 N -0.80 1.14 0.22 1.45 0.04 -1.26 -4.83 135.00 130.96 1x5i s PRO 31 Ca 0.62 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 62.30 1x5i s PRO 31 Cb -0.89 -1.80 0.27 0.00 0.04 0.00 0.00 34.50 32.12 1x5i s PRO 31 CO 0.51 -2.31 1.61 1.03 0.04 0.00 0.00 177.00 177.88 1x5i h SER 32 N -1.60 -0.71 -1.46 6.66 0.87 -1.70 -3.46 113.55 112.16 1x5i h SER 32 Ca -0.50 0.22 0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1x5i h SER 32 Cb 1.29 0.46 -0.03 0.00 -0.44 0.00 0.00 62.40 63.68 1x5i h SER 32 CO 0.55 -0.24 0.42 -1.54 -0.53 0.00 0.00 176.83 175.48 1x5i n SER 33 N -5.47 -0.81 -3.52 6.23 3.41 -1.26 -5.03 113.62 107.16 1x5i n SER 33 Ca 0.09 -1.32 -0.05 0.00 -0.26 0.00 0.00 58.87 57.33 1x5i n SER 33 Cb 0.37 1.29 -0.07 0.00 -0.26 0.00 0.00 64.21 65.54 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x5i s LEU 34 N 0.00 -0.89 0.07 1.04 2.96 -1.26 -3.05 118.68 117.55 1x5i s LEU 34 Ca 0.15 0.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 1x5i s LEU 34 Cb -0.01 1.67 -0.04 0.00 0.50 0.00 0.00 46.19 48.31 1x5i s LEU 34 CO 0.01 -0.25 0.20 -2.28 -1.32 0.00 0.00 176.35 172.72 1x5i s HIS 35 N 2.71 3.48 -0.00 5.38 5.65 0.19 -4.96 115.29 127.74 1x5i s HIS 35 Ca 0.03 0.22 0.02 0.00 0.25 0.00 0.00 55.06 55.59 1x5i s HIS 35 Cb -0.13 -1.74 -0.00 0.00 -1.18 0.00 0.00 32.58 29.53 1x5i s HIS 35 CO -0.16 0.58 -0.06 0.14 -0.65 0.00 0.00 174.74 174.59 1x5i s VAL 36 N -1.51 0.45 -0.25 0.89 -7.23 -1.26 -1.08 120.40 110.40 1x5i s VAL 36 Ca 0.34 -0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.28 1x5i s VAL 36 Cb -0.13 -0.38 0.07 0.00 0.56 0.00 0.00 36.38 36.50 1x5i s VAL 36 CO 0.27 0.13 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.57 1x5i s ARG 37 N -0.13 1.44 0.06 4.82 6.06 -0.92 -4.97 118.95 125.30 1x5i s ARG 37 Ca 0.02 -1.07 -0.31 0.00 -2.50 0.00 0.00 55.73 51.87 1x5i s ARG 37 Cb -0.02 -2.56 -0.07 0.00 0.06 0.00 0.00 34.95 32.36 1x5i s ARG 37 CO -0.00 -0.69 1.40 -1.25 -2.50 0.00 0.00 175.30 172.26 1x5i s PRO 38 N 1.39 4.30 0.17 5.12 0.04 -1.26 -1.14 135.00 143.62 1x5i s PRO 38 Ca -0.02 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.14 1x5i s PRO 38 Cb -0.19 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 1x5i s PRO 38 CO -0.09 -0.51 -0.20 -0.51 0.04 0.00 0.00 177.00 175.73 1x5i s LEU 39 N 1.77 2.44 0.00 -3.56 1.02 0.13 -4.58 118.68 115.90 1x5i s LEU 39 Ca 0.65 -0.86 0.00 0.00 0.02 0.00 0.00 54.13 53.93 1x5i s LEU 39 Cb -0.34 -0.94 0.00 0.00 0.02 0.00 0.00 46.19 44.93 1x5i s LEU 39 CO 0.29 0.02 0.35 0.52 0.02 0.00 0.00 176.35 177.55 1x5i n VAL 40 N 0.28 0.00 -1.38 -1.59 0.31 -1.26 -2.12 118.33 112.58 1x5i n VAL 40 Ca -0.13 0.59 0.04 0.00 -0.01 0.00 0.00 64.34 64.83 1x5i n VAL 40 Cb 0.57 -0.83 0.20 0.00 -0.91 0.00 0.00 33.84 32.86 1x5i n VAL 40 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1x5i n THR 41 N -1.54 2.26 -3.89 2.52 -2.24 -1.26 -3.17 114.28 106.96 1x5i n THR 41 Ca 0.00 -2.74 -0.11 0.00 -2.27 0.00 0.00 64.05 58.93 1x5i n THR 41 Cb 0.00 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 67.95 1x5i n THR 41 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x5i n SER 42 N -1.12 -1.36 -3.15 3.42 3.41 -0.90 -3.22 113.62 110.71 1x5i n SER 42 Ca 0.23 -2.52 0.04 0.00 -0.26 0.00 0.00 58.87 56.36 1x5i n SER 42 Cb 0.81 2.43 -0.01 0.00 -0.26 0.00 0.00 64.21 67.18 1x5i n SER 42 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1x5i s ILE 43 N -2.62 -0.96 -0.91 -1.33 1.01 -0.18 0.22 121.20 116.43 1x5i s ILE 43 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 1x5i s ILE 43 Cb -0.02 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1x5i s ILE 43 CO 0.15 0.00 1.66 -0.69 0.00 0.00 0.00 174.94 176.06 1x5i s VAL 44 N 2.86 3.67 -0.70 2.92 1.01 -0.29 -2.00 120.40 127.87 1x5i s VAL 44 Ca 0.19 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1x5i s VAL 44 Cb -0.14 -4.55 0.04 0.00 0.00 0.00 0.00 36.38 31.73 1x5i s VAL 44 CO -0.21 -1.46 1.18 -0.69 0.00 0.00 0.00 175.10 173.91 1x5i s VAL 45 N 7.36 3.93 -0.14 2.92 1.01 0.12 -2.17 120.40 133.43 1x5i s VAL 45 Ca 0.56 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.71 1x5i s VAL 45 Cb -0.04 -4.83 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 1x5i s VAL 45 CO -0.02 -1.70 0.04 -0.44 0.00 0.00 0.00 175.10 172.99 1x5i s SER 46 N 3.65 5.52 0.23 3.32 0.01 -0.24 -0.04 113.70 126.15 1x5i s SER 46 Ca 0.32 0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.74 1x5i s SER 46 Cb -0.11 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.32 1x5i s SER 46 CO 0.14 0.28 0.07 -2.67 0.41 0.00 0.00 173.24 171.48 1x5i n TRP 47 N 2.82 0.13 -3.98 2.43 2.14 -0.56 0.57 117.44 121.00 1x5i n TRP 47 Ca -0.18 -1.45 -0.09 0.00 2.07 0.00 0.00 57.50 57.85 1x5i n TRP 47 Cb 0.53 -0.02 -0.10 0.00 -0.81 0.00 0.00 31.31 30.91 1x5i n TRP 47 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1x5i s THR 48 N -2.36 0.15 0.81 -1.67 -4.23 -1.17 -4.77 115.64 102.40 1x5i s THR 48 Ca 0.10 -1.22 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1x5i s THR 48 Cb 0.01 -0.92 0.08 0.00 1.34 0.00 0.00 72.50 73.01 1x5i s THR 48 CO 0.07 -0.67 1.09 -2.16 -0.54 0.00 0.00 174.62 172.41 1x5i s PRO 49 N -2.70 1.98 0.05 3.99 0.04 -1.26 -4.13 135.00 132.97 1x5i s PRO 49 Ca -0.04 1.07 -0.31 0.00 0.04 0.00 0.00 61.00 61.77 1x5i s PRO 49 Cb -0.01 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 1x5i s PRO 49 CO -0.05 -1.81 1.41 -1.25 0.04 0.00 0.00 177.00 175.34 1x5i s PRO 50 N -4.91 4.29 0.26 0.56 0.04 -1.26 -3.10 135.00 130.89 1x5i s PRO 50 Ca 0.62 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.77 1x5i s PRO 50 Cb -0.17 -3.46 0.80 0.00 0.04 0.00 0.00 34.50 31.71 1x5i s PRO 50 CO 0.56 -0.53 1.22 -1.91 0.04 0.00 0.00 177.00 176.38 1x5i n GLU 51 N 4.85 -0.05 -2.84 4.56 2.13 -1.26 -3.83 120.64 124.19 1x5i n GLU 51 Ca 0.13 1.12 -0.42 0.00 0.66 0.00 0.00 57.16 58.64 1x5i n GLU 51 Cb 0.43 -1.88 -0.04 0.00 0.27 0.00 0.00 31.44 30.22 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1x5i s ASN 52 N -4.83 6.77 -0.03 4.31 3.84 -1.26 -4.92 114.94 118.81 1x5i s ASN 52 Ca -0.09 0.82 -0.13 0.00 0.21 0.00 0.00 52.86 53.67 1x5i s ASN 52 Cb 0.24 -2.45 -0.32 0.00 -0.55 0.00 0.00 41.25 38.17 1x5i s ASN 52 CO 0.60 -0.69 0.77 1.56 -2.79 0.00 0.00 177.10 176.56 1x5i h GLN 53 N 8.06 0.44 -0.84 0.43 1.08 -2.00 -3.34 115.11 118.94 1x5i h GLN 53 Ca -0.23 -0.75 0.34 0.00 -1.45 0.00 0.00 58.65 56.56 1x5i h GLN 53 Cb 1.08 0.28 -0.15 0.00 -0.05 0.00 0.00 27.48 28.64 1x5i h GLN 53 CO 0.93 1.36 0.40 0.09 -0.95 0.00 0.00 178.83 180.65 1x5i n ASN 54 N -3.67 0.24 -4.73 1.46 4.13 -1.26 -4.27 115.26 107.17 1x5i n ASN 54 Ca -0.22 1.40 -0.42 0.00 1.68 0.00 0.00 54.58 57.02 1x5i n ASN 54 Cb 1.07 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 38.62 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x5i s ILE 55 N -5.35 2.83 0.06 2.41 1.01 -1.25 -1.17 121.20 119.74 1x5i s ILE 55 Ca -0.08 0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 1x5i s ILE 55 Cb 0.28 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 1x5i s ILE 55 CO 0.66 0.07 1.06 -0.69 0.00 0.00 0.00 174.94 176.03 1x5i s VAL 56 N 0.69 4.41 -0.18 2.92 1.01 -0.73 -4.92 120.40 123.60 1x5i s VAL 56 Ca 0.64 1.82 0.01 0.00 0.00 0.00 0.00 61.98 64.45 1x5i s VAL 56 Cb -0.41 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 31.84 1x5i s VAL 56 CO 0.35 0.19 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 1x5i s VAL 57 N 0.65 1.54 0.03 2.92 1.01 -1.26 -4.67 120.40 120.62 1x5i s VAL 57 Ca 0.53 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1x5i s VAL 57 Cb -0.25 -1.58 -0.28 0.00 0.00 0.00 0.00 36.38 34.26 1x5i s VAL 57 CO 0.30 0.24 0.96 0.03 0.00 0.00 0.00 175.10 176.64 1x5i h ARG 58 N 8.02 0.27 0.00 2.72 2.47 -1.92 -3.46 114.38 122.48 1x5i h ARG 58 Ca -0.30 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 57.97 1x5i h ARG 58 Cb 1.11 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1x5i h ARG 58 CO 0.48 1.16 0.00 0.41 0.56 0.00 0.00 179.97 182.58 1x5i n GLY 59 N 1.62 -1.30 3.05 0.04 0.00 -1.11 -3.44 105.19 104.04 1x5i n GLY 59 Ca -0.13 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 1x5i n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5i s TYR 60 N -2.38 0.90 -0.17 1.61 1.51 -1.23 -2.07 117.35 115.53 1x5i s TYR 60 Ca 0.00 -0.22 -0.06 0.00 -1.01 0.00 0.00 57.07 55.78 1x5i s TYR 60 Cb 0.00 -0.56 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1x5i s TYR 60 CO 0.00 -0.01 0.01 0.00 -1.11 0.00 0.00 175.55 174.44 1x5i s ALA 61 N -0.42 3.20 0.05 3.71 0.00 -0.47 -2.98 121.76 124.84 1x5i s ALA 61 Ca 0.02 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1x5i s ALA 61 Cb -0.05 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1x5i s ALA 61 CO -0.00 0.16 0.09 0.42 0.00 0.00 0.00 175.76 176.43 1x5i s ILE 62 N 0.44 4.70 -0.04 0.00 1.01 -0.74 -1.90 121.20 124.67 1x5i s ILE 62 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 1x5i s ILE 62 Cb -0.13 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 39.14 1x5i s ILE 62 CO 0.02 0.21 0.06 -0.83 0.00 0.00 0.00 174.94 174.40 1x5i s GLY 63 N -2.16 0.16 0.28 6.18 0.00 0.15 -1.50 107.32 110.44 1x5i s GLY 63 Ca 0.27 0.26 0.05 0.00 0.00 0.00 0.00 44.72 45.30 1x5i s GLY 63 CO 0.20 1.17 -0.02 -2.52 0.00 0.00 0.00 173.10 171.93 1x5i s TYR 64 N 1.80 1.86 0.00 1.90 1.13 -1.14 0.72 117.35 123.63 1x5i s TYR 64 Ca 0.00 -0.81 0.00 0.00 -1.41 0.00 0.00 57.07 54.85 1x5i s TYR 64 Cb -0.12 -1.11 0.00 0.00 -1.10 0.00 0.00 41.96 39.63 1x5i s TYR 64 CO -0.03 0.14 0.00 0.41 -2.51 0.00 0.00 175.55 173.56 1x5i n GLY 65 N -0.57 3.22 3.50 5.49 0.00 -1.21 -2.45 105.19 113.17 1x5i n GLY 65 Ca -0.05 -0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 1x5i n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5i n ILE 66 N 0.00 0.17 0.00 -0.61 5.41 -1.26 -2.08 119.36 120.98 1x5i n ILE 66 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1x5i n ILE 66 Cb 0.00 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 36.98 1x5i n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x5i n GLY 67 N 6.30 2.31 3.01 7.39 0.00 -1.25 -4.92 105.19 118.03 1x5i n GLY 67 Ca 0.40 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1x5i n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5i s SER 68 N 0.00 2.27 0.00 1.61 1.04 -0.89 -4.89 113.70 112.85 1x5i s SER 68 Ca 0.00 -0.38 0.14 0.00 0.48 0.00 0.00 55.95 56.19 1x5i s SER 68 Cb 0.00 -0.99 0.62 0.00 0.10 0.00 0.00 66.02 65.75 1x5i s SER 68 CO 0.00 -0.02 1.45 -0.81 0.98 0.00 0.00 173.24 174.84 1x5i n PRO 69 N 4.34 0.02 -0.78 4.02 -0.04 -1.25 -3.56 135.00 137.75 1x5i n PRO 69 Ca -0.18 0.24 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 1x5i n PRO 69 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1x5i n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x5i n HIS 70 N -1.47 0.46 -0.09 0.54 8.25 -1.26 -3.16 115.22 118.49 1x5i n HIS 70 Ca 0.04 -1.40 -0.16 0.00 -0.26 0.00 0.00 57.72 55.94 1x5i n HIS 70 Cb 0.16 -0.92 -0.07 0.00 1.12 0.00 0.00 29.99 30.28 1x5i n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5i n ALA 71 N 1.43 1.77 -2.90 -1.41 0.00 -1.18 -5.06 120.51 113.16 1x5i n ALA 71 Ca 0.20 -0.70 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 1x5i n ALA 71 Cb 0.62 0.21 -0.11 0.00 0.00 0.00 0.00 19.45 20.17 1x5i n ALA 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x5i s GLN 72 N -2.32 0.36 -0.07 0.00 1.11 -1.02 -5.02 119.66 112.69 1x5i s GLN 72 Ca -0.24 -0.65 -0.00 0.00 0.01 0.00 0.00 55.36 54.48 1x5i s GLN 72 Cb 0.08 0.13 0.02 0.00 -1.01 0.00 0.00 33.01 32.23 1x5i s GLN 72 CO 0.34 -0.06 -0.03 0.99 0.01 0.00 0.00 175.29 176.53 1x5i s THR 73 N -1.71 0.57 -0.27 -0.19 2.01 -1.26 -2.87 115.64 111.92 1x5i s THR 73 Ca -0.14 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.83 1x5i s THR 73 Cb -0.08 -0.65 0.07 0.00 0.01 0.00 0.00 72.50 71.85 1x5i s THR 73 CO -0.02 0.27 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.49 1x5i s ILE 74 N 1.49 2.03 -0.30 1.82 1.01 -0.56 -4.95 121.20 121.74 1x5i s ILE 74 Ca -0.02 -1.68 -0.13 0.00 0.00 0.00 0.00 60.65 58.83 1x5i s ILE 74 Cb -0.13 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1x5i s ILE 74 CO -0.03 -0.16 0.25 -0.54 0.00 0.00 0.00 174.94 174.46 1x5i s LYS 75 N 1.14 3.84 0.49 2.79 1.02 -1.26 -1.79 119.74 125.96 1x5i s LYS 75 Ca -0.04 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.66 1x5i s LYS 75 Cb -0.20 -3.70 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 1x5i s LYS 75 CO -0.06 -0.29 0.07 0.14 -0.92 0.00 0.00 175.35 174.29 1x5i s VAL 76 N 1.84 1.43 1.12 3.17 -7.23 -1.16 -5.03 120.40 114.55 1x5i s VAL 76 Ca 0.09 -1.91 -0.16 0.00 -1.81 0.00 0.00 61.98 58.19 1x5i s VAL 76 Cb -0.16 -2.35 0.25 0.00 0.56 0.00 0.00 36.38 34.68 1x5i s VAL 76 CO 0.11 0.00 1.08 -1.81 -0.31 0.00 0.00 175.10 174.17 1x5i s ASP 77 N -3.91 1.57 0.44 4.85 1.01 -1.26 -3.49 116.67 115.88 1x5i s ASP 77 Ca 0.16 0.97 0.24 0.00 0.71 0.00 0.00 52.55 54.63 1x5i s ASP 77 Cb 0.03 -1.48 0.59 0.00 1.01 0.00 0.00 42.92 43.07 1x5i s ASP 77 CO 0.09 -3.76 1.69 0.10 0.21 0.00 0.00 175.17 173.50 1x5i h TYR 78 N -2.33 0.00 -0.14 4.23 -0.00 -1.88 -3.25 116.97 113.60 1x5i h TYR 78 Ca -0.51 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.13 1x5i h TYR 78 Cb 1.32 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 38.01 1x5i h TYR 78 CO -0.81 0.12 0.11 1.63 -0.00 0.00 0.00 178.16 179.21 1x5i n LYS 79 N -3.16 1.22 -4.08 0.10 5.02 -1.26 -4.76 118.16 111.24 1x5i n LYS 79 Ca 0.02 -0.45 -0.32 0.00 -2.02 0.00 0.00 58.31 55.54 1x5i n LYS 79 Cb 0.50 -1.18 -0.15 0.00 -0.02 0.00 0.00 35.03 34.18 1x5i n LYS 79 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1x5i s GLN 80 N -0.51 2.46 0.06 1.97 -1.52 -1.23 -4.99 119.66 115.90 1x5i s GLN 80 Ca 0.09 -1.18 -0.13 0.00 -1.95 0.00 0.00 55.36 52.18 1x5i s GLN 80 Cb 0.07 -2.78 -0.27 0.00 -0.22 0.00 0.00 33.01 29.80 1x5i s GLN 80 CO 0.00 -0.46 1.12 -0.09 -0.25 0.00 0.00 175.29 175.62 1x5i h ARG 81 N 7.83 0.60 -3.38 2.91 9.65 -1.90 -3.47 114.38 126.62 1x5i h ARG 81 Ca -0.27 -0.79 -0.02 0.00 -1.10 0.00 0.00 59.98 57.80 1x5i h ARG 81 Cb 1.07 0.26 -0.07 0.00 -1.39 0.00 0.00 29.97 29.84 1x5i h ARG 81 CO 0.51 1.35 0.04 1.52 2.80 0.00 0.00 179.97 186.20 1x5i s TYR 82 N -3.00 0.18 -0.00 2.20 1.13 -1.26 -1.50 117.35 115.09 1x5i s TYR 82 Ca -0.09 -0.60 0.01 0.00 -1.41 0.00 0.00 57.07 54.99 1x5i s TYR 82 Cb 0.06 0.42 -0.00 0.00 -1.10 0.00 0.00 41.96 41.33 1x5i s TYR 82 CO 0.93 -1.14 -0.04 -0.47 -2.51 0.00 0.00 175.55 172.31 1x5i s TYR 83 N -3.79 0.40 -0.62 -3.49 6.14 0.95 -4.96 117.35 111.99 1x5i s TYR 83 Ca 0.18 -0.10 -0.15 0.00 0.64 0.00 0.00 57.07 57.65 1x5i s TYR 83 Cb -0.03 -0.26 0.16 0.00 0.42 0.00 0.00 41.96 42.25 1x5i s TYR 83 CO 0.09 -0.01 0.57 0.99 0.64 0.00 0.00 175.55 177.83 1x5i s THR 84 N -0.18 5.22 0.05 4.34 2.01 -1.26 0.14 115.64 125.97 1x5i s THR 84 Ca 0.01 -1.84 -0.30 0.00 0.31 0.00 0.00 61.69 59.86 1x5i s THR 84 Cb -0.02 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1x5i s THR 84 CO -0.00 -0.91 1.07 -0.63 -0.69 0.00 0.00 174.62 173.45 1x5i s ILE 85 N 1.12 4.45 0.33 1.82 1.01 -0.85 -4.87 121.20 124.21 1x5i s ILE 85 Ca 0.08 1.81 0.02 0.00 0.00 0.00 0.00 60.65 62.55 1x5i s ILE 85 Cb -0.24 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 1x5i s ILE 85 CO -0.01 0.17 0.06 -0.62 0.00 0.00 0.00 174.94 174.54 1x5i n GLU 86 N 3.68 0.86 -2.24 2.79 1.02 -1.26 -1.01 120.64 124.48 1x5i n GLU 86 Ca 0.06 -2.63 -0.06 0.00 -0.02 0.00 0.00 57.16 54.52 1x5i n GLU 86 Cb 0.49 1.10 0.00 0.00 -0.02 0.00 0.00 31.44 33.01 1x5i n GLU 86 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x5i n ASN 87 N -1.47 -2.51 -4.87 1.62 5.03 -1.23 -4.98 115.26 106.85 1x5i n ASN 87 Ca -0.09 -0.03 -0.26 0.00 0.87 0.00 0.00 54.58 55.07 1x5i n ASN 87 Cb 0.46 -1.71 -0.02 0.00 -1.02 0.00 0.00 39.78 37.49 1x5i n ASN 87 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1x5i s LEU 88 N -1.84 2.78 -0.03 3.41 1.43 -1.20 -5.09 118.68 118.14 1x5i s LEU 88 Ca 0.03 -1.21 0.07 0.00 -1.03 0.00 0.00 54.13 51.99 1x5i s LEU 88 Cb -0.01 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1x5i s LEU 88 CO 0.04 -0.99 -0.24 -0.62 0.23 0.00 0.00 176.35 174.77 1x5i s ASP 89 N -4.20 2.80 0.68 2.29 -1.08 -1.26 -4.70 116.67 111.20 1x5i s ASP 89 Ca 0.34 -0.44 -0.14 0.00 -0.52 0.00 0.00 52.55 51.79 1x5i s ASP 89 Cb -0.01 -0.41 0.01 0.00 -1.46 0.00 0.00 42.92 41.05 1x5i s ASP 89 CO 0.21 0.28 1.11 -2.16 0.52 0.00 0.00 175.17 175.12 1x5i s PRO 90 N -0.47 2.69 -0.76 4.34 0.04 -1.19 -4.07 135.00 135.59 1x5i s PRO 90 Ca 0.07 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.45 1x5i s PRO 90 Cb -0.10 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 1x5i s PRO 90 CO -0.00 -1.33 0.63 0.45 0.04 0.00 0.00 177.00 176.79 1x5i n SER 91 N -2.63 -2.17 -3.69 6.66 2.88 -0.21 -4.93 113.62 109.54 1x5i n SER 91 Ca 0.10 -0.40 -0.13 0.00 -1.33 0.00 0.00 58.87 57.12 1x5i n SER 91 Cb 0.52 -3.44 -0.07 0.00 -0.75 0.00 0.00 64.21 60.47 1x5i n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5i s SER 92 N -3.83 -0.26 -0.19 -3.46 0.15 -1.26 -4.98 113.70 99.86 1x5i s SER 92 Ca 0.01 0.03 -0.10 0.00 0.70 0.00 0.00 55.95 56.59 1x5i s SER 92 Cb -0.00 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 64.66 1x5i s SER 92 CO 0.46 -0.61 0.14 -2.28 1.20 0.00 0.00 173.24 172.15 1x5i s HIS 93 N -2.20 3.43 0.08 3.44 2.46 -1.26 -0.78 115.29 120.46 1x5i s HIS 93 Ca -0.07 0.36 0.08 0.00 0.47 0.00 0.00 55.06 55.90 1x5i s HIS 93 Cb -0.02 -2.15 -0.03 0.00 -0.13 0.00 0.00 32.58 30.25 1x5i s HIS 93 CO -0.01 0.32 -0.22 0.71 -2.47 0.00 0.00 174.74 173.07 1x5i s TYR 94 N 0.26 1.91 -0.36 3.88 1.51 -0.58 -3.87 117.35 120.09 1x5i s TYR 94 Ca 0.09 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1x5i s TYR 94 Cb -0.11 -1.09 0.08 0.00 -0.11 0.00 0.00 41.96 40.74 1x5i s TYR 94 CO -0.01 0.17 0.12 0.08 -1.11 0.00 0.00 175.55 174.80 1x5i s VAL 95 N -0.99 3.18 -0.01 0.71 1.01 -1.15 -2.21 120.40 120.94 1x5i s VAL 95 Ca 0.08 -1.76 -0.15 0.00 0.00 0.00 0.00 61.98 60.15 1x5i s VAL 95 Cb -0.10 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 1x5i s VAL 95 CO 0.03 -0.45 0.41 -0.63 0.00 0.00 0.00 175.10 174.47 1x5i s ILE 96 N 1.19 5.05 0.08 2.22 1.09 -1.25 -3.33 121.20 126.25 1x5i s ILE 96 Ca 0.03 0.84 0.03 0.00 -1.10 0.00 0.00 60.65 60.45 1x5i s ILE 96 Cb -0.21 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.44 1x5i s ILE 96 CO -0.03 0.56 -0.10 0.42 -0.10 0.00 0.00 174.94 175.69 1x5i s THR 97 N -0.92 0.87 -0.05 2.92 -4.23 0.22 -1.98 115.64 112.47 1x5i s THR 97 Ca 0.24 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.18 1x5i s THR 97 Cb -0.16 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.47 1x5i s THR 97 CO 0.13 -0.52 0.12 -0.22 -0.54 0.00 0.00 174.62 173.59 1x5i s LEU 98 N -2.27 1.25 -0.05 4.79 2.96 -1.25 -0.67 118.68 123.44 1x5i s LEU 98 Ca 0.02 0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1x5i s LEU 98 Cb -0.04 0.36 0.02 0.00 0.50 0.00 0.00 46.19 47.03 1x5i s LEU 98 CO -0.00 -0.08 0.11 -1.59 -1.32 0.00 0.00 176.35 173.47 1x5i s LYS 99 N 0.50 0.09 0.01 1.98 -2.85 -0.80 -0.75 119.74 117.92 1x5i s LYS 99 Ca -0.04 0.22 -0.25 0.00 -1.00 0.00 0.00 55.97 54.90 1x5i s LYS 99 Cb -0.05 -0.06 -0.05 0.00 -2.06 0.00 0.00 37.83 35.62 1x5i s LYS 99 CO -0.02 -0.08 0.78 0.00 0.10 0.00 0.00 175.35 176.13 1x5i s ALA 100 N 0.54 3.33 -0.03 0.59 0.00 -1.26 -1.37 121.76 123.55 1x5i s ALA 100 Ca -0.04 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1x5i s ALA 100 Cb -0.06 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.04 1x5i s ALA 100 CO -0.02 -0.03 -0.07 -0.59 0.00 0.00 0.00 175.76 175.05 1x5i s PHE 101 N 0.35 0.83 0.37 0.00 -0.71 -0.88 -0.96 117.98 116.98 1x5i s PHE 101 Ca 0.40 -0.22 0.04 0.00 -1.04 0.00 0.00 56.93 56.11 1x5i s PHE 101 Cb -0.20 -0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 40.95 1x5i s PHE 101 CO 0.22 -0.14 0.15 0.27 -1.34 0.00 0.00 175.22 174.38 1x5i n ASN 102 N 3.63 1.00 -0.34 1.98 6.94 0.90 -2.75 115.26 126.62 1x5i n ASN 102 Ca -0.21 -3.02 0.16 0.00 -0.02 0.00 0.00 54.58 51.49 1x5i n ASN 102 Cb 0.53 1.03 0.36 0.00 -2.36 0.00 0.00 39.78 39.33 1x5i n ASN 102 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1x5i h ASN 103 N 1.55 0.62 -0.04 0.53 2.35 -1.95 -0.30 115.58 118.34 1x5i h ASN 103 Ca -0.29 0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1x5i h ASN 103 Cb 1.13 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 1x5i h ASN 103 CO 0.45 0.11 0.03 0.58 -1.65 0.00 0.00 177.43 176.94 1x5i h VAL 104 N 0.57 1.05 0.00 2.81 2.07 -1.85 -3.49 116.25 117.41 1x5i h VAL 104 Ca 0.62 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 68.00 1x5i h VAL 104 Cb 1.15 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1x5i h VAL 104 CO -0.47 0.04 0.00 0.61 0.02 0.00 0.00 177.57 177.77 1x5i n GLY 105 N -0.97 -0.54 3.80 2.17 0.00 -0.13 -4.88 105.19 104.64 1x5i n GLY 105 Ca -0.06 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 1x5i n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5i s GLU 106 N -1.23 2.86 0.00 1.61 2.02 -1.26 -0.07 118.70 122.63 1x5i s GLU 106 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1x5i s GLU 106 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.65 1x5i s GLU 106 CO 0.00 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1x5i n GLY 107 N -0.71 3.00 3.55 -1.39 0.00 -0.14 -4.80 105.19 104.69 1x5i n GLY 107 Ca -0.08 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 1x5i n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5i s ILE 108 N 3.62 4.57 1.02 -0.61 -0.00 -1.26 -4.88 121.20 123.64 1x5i s ILE 108 Ca 0.00 -0.10 -0.13 0.00 -0.00 0.00 0.00 60.65 60.42 1x5i s ILE 108 Cb 0.00 -3.09 0.20 0.00 -0.00 0.00 0.00 42.46 39.57 1x5i s ILE 108 CO 0.00 0.40 1.09 -2.16 -0.00 0.00 0.00 174.94 174.27 1x5i s PRO 109 N 0.96 0.25 0.36 0.37 0.04 -1.26 -4.30 135.00 131.43 1x5i s PRO 109 Ca 0.04 0.46 0.08 0.00 0.04 0.00 0.00 61.00 61.63 1x5i s PRO 109 Cb -0.14 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 1x5i s PRO 109 CO 0.03 -2.84 0.02 -0.51 0.04 0.00 0.00 177.00 173.74 1x5i s LEU 110 N -6.51 2.95 -0.10 -3.56 1.43 0.07 -4.89 118.68 108.06 1x5i s LEU 110 Ca 0.66 -1.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1x5i s LEU 110 Cb -0.18 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.81 1x5i s LEU 110 CO 0.58 -0.32 -0.16 -0.31 0.23 0.00 0.00 176.35 176.37 1x5i s TYR 111 N -2.58 1.99 0.33 0.29 1.51 -1.26 -3.79 117.35 113.85 1x5i s TYR 111 Ca 0.36 -0.90 0.04 0.00 -1.01 0.00 0.00 57.07 55.55 1x5i s TYR 111 Cb 0.03 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 1x5i s TYR 111 CO 0.19 -0.45 0.15 -1.21 -1.11 0.00 0.00 175.55 173.13 1x5i s GLU 112 N 0.87 1.69 -0.04 -0.62 0.41 -0.84 -5.04 118.70 115.14 1x5i s GLU 112 Ca -0.09 -1.98 -0.02 0.00 -0.41 0.00 0.00 54.97 52.47 1x5i s GLU 112 Cb -0.15 -0.25 0.02 0.00 -1.78 0.00 0.00 34.13 31.97 1x5i s GLU 112 CO 0.00 -0.45 0.08 -1.54 -0.49 0.00 0.00 175.26 172.86 1x5i s SER 113 N -3.44 -0.05 -0.21 -0.19 1.04 -1.26 -3.79 113.70 105.80 1x5i s SER 113 Ca 0.33 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.88 1x5i s SER 113 Cb 0.04 0.10 0.11 0.00 0.10 0.00 0.00 66.02 66.37 1x5i s SER 113 CO 0.17 -0.09 0.34 0.00 0.98 0.00 0.00 173.24 174.64 1x5i s ALA 114 N 0.68 -0.88 -0.45 5.32 0.00 -0.94 -4.91 121.76 120.57 1x5i s ALA 114 Ca -0.05 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 1x5i s ALA 114 Cb -0.07 -1.43 0.05 0.00 0.00 0.00 0.00 23.12 21.67 1x5i s ALA 114 CO -0.03 -1.03 0.43 0.08 0.00 0.00 0.00 175.76 175.21 1x5i s VAL 115 N 2.50 5.14 0.41 0.00 1.01 -1.26 -1.53 120.40 126.67 1x5i s VAL 115 Ca 0.07 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 1x5i s VAL 115 Cb -0.14 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.00 1x5i s VAL 115 CO -0.13 -0.53 0.46 0.35 0.00 0.00 0.00 175.10 175.25 1x5i n THR 116 N 5.33 1.57 -1.00 3.92 -2.24 0.04 -4.78 114.28 117.13 1x5i n THR 116 Ca -0.10 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.86 1x5i n THR 116 Cb 0.45 -0.42 0.14 0.00 -2.10 0.00 0.00 70.33 68.40 1x5i n THR 116 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x5i s ARG 117 N -1.45 1.49 0.00 -0.78 0.52 -1.25 -2.81 118.95 114.67 1x5i s ARG 117 Ca 0.62 1.63 0.15 0.00 -0.52 0.00 0.00 55.73 57.62 1x5i s ARG 117 Cb -0.62 -1.77 0.85 0.00 0.52 0.00 0.00 34.95 33.92 1x5i s ARG 117 CO 0.59 -2.30 1.38 -0.35 0.02 0.00 0.00 175.30 174.64 1x5i n PRO 118 N -3.62 0.36 -3.89 3.54 -0.04 -1.26 -1.04 135.00 129.05 1x5i n PRO 118 Ca 0.12 0.07 -0.26 0.00 -0.04 0.00 0.00 63.50 63.39 1x5i n PRO 118 Cb 0.51 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.48 1x5i n PRO 118 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1x5i n HIS 119 N -1.14 -1.90 -3.97 0.54 -0.00 -1.26 -4.73 115.22 102.76 1x5i n HIS 119 Ca 0.09 0.82 -0.33 0.00 0.46 0.00 0.00 57.72 58.77 1x5i n HIS 119 Cb 0.08 -3.94 -0.14 0.00 -0.12 0.00 0.00 29.99 25.87 1x5i n HIS 119 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1x5i s THR 120 N -3.63 2.55 -0.05 3.57 -1.32 -1.26 -5.09 115.64 110.41 1x5i s THR 120 Ca 0.24 -2.03 0.07 0.00 -1.21 0.00 0.00 61.69 58.75 1x5i s THR 120 Cb -0.12 -2.73 -0.01 0.00 -1.51 0.00 0.00 72.50 68.12 1x5i s THR 120 CO 0.85 -0.45 -0.25 -0.94 -2.21 0.00 0.00 174.62 171.62 1x5i s SER 121 N 1.17 3.05 0.00 8.08 1.04 -1.26 -5.08 113.70 120.71 1x5i s SER 121 Ca 0.05 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1x5i s SER 121 Cb -0.20 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.22 1x5i s SER 121 CO -0.06 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1x5i n GLY 122 N 2.81 0.85 3.63 7.32 0.00 -1.26 -5.03 105.19 113.51 1x5i n GLY 122 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1x5i n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5i s PRO 123 N 0.58 3.75 0.19 1.61 0.04 -1.26 -4.90 135.00 135.01 1x5i s PRO 123 Ca 0.00 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 1x5i s PRO 123 Cb 0.00 -4.05 0.12 0.00 0.04 0.00 0.00 34.50 30.61 1x5i s PRO 123 CO 0.00 -1.35 1.86 1.03 0.04 0.00 0.00 177.00 178.58 1x5i h SER 124 N 10.91 0.74 -4.80 6.66 0.87 -2.05 -3.44 113.55 122.44 1x5i h SER 124 Ca -0.33 -0.02 -0.24 0.00 -1.23 0.00 0.00 61.79 59.97 1x5i h SER 124 Cb 1.15 -0.18 -0.15 0.00 -0.44 0.00 0.00 62.40 62.78 1x5i h SER 124 CO 1.01 0.54 -0.66 -0.44 -0.53 0.00 0.00 176.83 176.74 1x5i s SER 125 N -5.78 0.93 0.00 6.23 0.01 -1.26 -5.28 113.70 108.55 1x5i s SER 125 Ca -0.13 -1.15 0.26 0.00 1.31 0.00 0.00 55.95 56.25 1x5i s SER 125 Cb 0.14 0.16 0.70 0.00 0.21 0.00 0.00 66.02 67.23 1x5i s SER 125 CO 0.76 -0.60 1.55 0.61 0.41 0.00 0.00 173.24 175.97