#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 -0.97 -0.30 1.61 0.01 -1.26 -5.15 113.70 107.64 1x5i s SER 2 Ca 0.00 1.33 -0.15 0.00 1.31 0.00 0.00 55.95 58.44 1x5i s SER 2 Cb 0.00 2.10 0.16 0.00 0.21 0.00 0.00 66.02 68.49 1x5i s SER 2 CO 0.00 -0.19 0.97 -0.94 0.41 0.00 0.00 173.24 173.50 1x5i s SER 3 N 2.76 -0.57 0.00 2.44 1.04 -1.26 -5.18 113.70 112.93 1x5i s SER 3 Ca -0.05 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1x5i s SER 3 Cb -0.10 1.51 0.00 0.00 0.10 0.00 0.00 66.02 67.53 1x5i s SER 3 CO -0.19 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1x5i n GLY 4 N 4.52 -0.60 3.55 7.32 0.00 -1.26 -5.17 105.19 113.55 1x5i n GLY 4 Ca -0.13 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.46 1x5i n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5i s SER 5 N 0.00 4.02 0.60 1.61 0.01 -1.26 -5.15 113.70 113.53 1x5i s SER 5 Ca 0.00 -0.85 0.05 0.00 1.31 0.00 0.00 55.95 56.46 1x5i s SER 5 Cb 0.00 -0.55 0.09 0.00 0.21 0.00 0.00 66.02 65.77 1x5i s SER 5 CO 0.00 0.03 0.83 -0.94 0.41 0.00 0.00 173.24 173.57 1x5i s SER 6 N -3.55 4.92 0.00 2.44 1.04 -1.26 -5.06 113.70 112.24 1x5i s SER 6 Ca 0.30 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1x5i s SER 6 Cb -0.06 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1x5i s SER 6 CO 0.17 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.57 1x5i n GLY 7 N -2.42 1.27 3.77 7.32 0.00 -1.26 -5.10 105.19 108.78 1x5i n GLY 7 Ca 0.14 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1x5i n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5i s PRO 8 N 0.00 3.31 0.96 1.61 0.04 -1.26 -5.03 135.00 134.63 1x5i s PRO 8 Ca 0.00 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 1x5i s PRO 8 Cb 0.00 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1x5i s PRO 8 CO 0.00 -0.88 1.11 0.00 0.04 0.00 0.00 177.00 177.27 1x5i s ALA 9 N -1.82 1.32 -0.81 8.56 0.00 -1.26 -4.90 121.76 122.85 1x5i s ALA 9 Ca 0.72 -0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.04 1x5i s ALA 9 Cb -0.24 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1x5i s ALA 9 CO 0.28 -2.58 1.87 -0.08 0.00 0.00 0.00 175.76 175.25 1x5i s THR 10 N -3.08 3.45 -0.57 0.00 -1.32 -1.26 -4.81 115.64 108.05 1x5i s THR 10 Ca 0.64 -0.17 -0.02 0.00 -1.21 0.00 0.00 61.69 60.93 1x5i s THR 10 Cb -0.17 -4.07 0.36 0.00 -1.51 0.00 0.00 72.50 67.11 1x5i s THR 10 CO 0.56 -1.02 2.06 -0.67 -2.21 0.00 0.00 174.62 173.34 1x5i n ASP 11 N 13.15 7.29 -3.57 8.08 -0.08 -1.26 -4.91 116.55 135.25 1x5i n ASP 11 Ca 0.32 -3.55 -0.06 0.00 -1.51 0.00 0.00 54.79 49.99 1x5i n ASP 11 Cb 0.49 -1.02 -0.02 0.00 2.34 0.00 0.00 41.12 42.91 1x5i n ASP 11 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 1x5i s TRP 12 N -3.17 -0.23 -0.05 -0.67 -2.14 -1.26 -5.19 118.94 106.23 1x5i s TRP 12 Ca 0.54 0.10 -0.31 0.00 2.66 0.00 0.00 56.10 59.08 1x5i s TRP 12 Cb 0.42 0.55 0.12 0.00 -3.10 0.00 0.00 33.47 31.46 1x5i s TRP 12 CO -0.04 -0.47 1.23 -0.48 -2.66 0.00 0.00 176.95 174.53 1x5i s LEU 13 N -2.51 -0.10 0.06 -4.66 2.34 -1.26 -5.09 118.68 107.45 1x5i s LEU 13 Ca 0.08 -0.11 0.00 0.00 0.06 0.00 0.00 54.13 54.16 1x5i s LEU 13 Cb -0.01 1.45 0.00 0.00 -0.56 0.00 0.00 46.19 47.08 1x5i s LEU 13 CO -0.06 -0.33 0.00 -1.54 -1.06 0.00 0.00 176.35 173.36 1x5i n SER 14 N -0.37 0.21 -4.87 1.48 3.41 -1.26 -5.08 113.62 107.13 1x5i n SER 14 Ca -0.06 0.09 -0.34 0.00 -0.26 0.00 0.00 58.87 58.31 1x5i n SER 14 Cb 0.61 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 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 -2.00 3.87 -0.33 7.33 0.00 -1.26 -5.09 121.76 124.28 1x5i s ALA 15 Ca 0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 1x5i s ALA 15 Cb 0.00 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.33 1x5i s ALA 15 CO 0.00 0.72 0.09 -2.00 0.00 0.00 0.00 175.76 174.57 1x5i s GLU 16 N -1.80 2.61 -0.02 0.00 2.56 -1.26 -5.06 118.70 115.73 1x5i s GLU 16 Ca 0.25 -1.18 -0.28 0.00 0.00 0.00 0.00 54.97 53.75 1x5i s GLU 16 Cb -0.12 -3.41 0.10 0.00 2.00 0.00 0.00 34.13 32.69 1x5i s GLU 16 CO 0.16 -0.65 0.83 -0.08 -0.56 0.00 0.00 175.26 174.96 1x5i s THR 17 N 1.38 0.00 -0.02 -1.70 -1.32 -1.26 -5.19 115.64 107.54 1x5i s THR 17 Ca -0.02 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.17 1x5i s THR 17 Cb -0.19 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.90 1x5i s THR 17 CO 0.02 0.00 0.86 0.72 -2.21 0.00 0.00 174.62 174.01 1x5i s PHE 18 N -2.45 -0.40 0.70 9.09 -0.71 -1.26 -5.18 117.98 117.77 1x5i s PHE 18 Ca 0.00 0.38 -0.08 0.00 -1.04 0.00 0.00 56.93 56.20 1x5i s PHE 18 Cb -0.01 0.51 0.15 0.00 -1.21 0.00 0.00 43.02 42.47 1x5i s PHE 18 CO -0.04 -0.55 0.95 0.39 -1.34 0.00 0.00 175.22 174.63 1x5i n GLU 19 N 0.02 -0.59 -3.66 1.99 -0.58 -1.26 -5.12 120.64 111.44 1x5i n GLU 19 Ca -0.11 -1.85 -0.08 0.00 -0.42 0.00 0.00 57.16 54.70 1x5i n GLU 19 Cb 0.61 -0.86 -0.09 0.00 -0.57 0.00 0.00 31.44 30.54 1x5i n GLU 19 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x5i s SER 20 N -4.61 -0.77 -0.51 1.62 0.15 -1.26 -4.96 113.70 103.36 1x5i s SER 20 Ca 0.57 1.26 -0.01 0.00 0.70 0.00 0.00 55.95 58.47 1x5i s SER 20 Cb -0.02 1.16 -0.01 0.00 -1.71 0.00 0.00 66.02 65.44 1x5i s SER 20 CO 0.39 -0.22 0.43 0.47 1.20 0.00 0.00 173.24 175.51 1x5i n ASP 21 N 4.34 -2.76 -4.96 5.45 8.00 -1.26 -5.06 116.55 120.31 1x5i n ASP 21 Ca -0.21 -0.29 -0.19 0.00 0.71 0.00 0.00 54.79 54.81 1x5i n ASP 21 Cb 0.57 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.12 39.09 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x5i s LEU 22 N -3.98 3.84 -0.18 0.64 2.01 -1.26 -5.08 118.68 114.66 1x5i s LEU 22 Ca 0.07 -0.30 -0.19 0.00 0.01 0.00 0.00 54.13 53.73 1x5i s LEU 22 Cb -0.01 -2.60 -0.03 0.00 0.01 0.00 0.00 46.19 43.56 1x5i s LEU 22 CO 0.33 -0.44 0.54 -1.81 1.01 0.00 0.00 176.35 175.97 1x5i s ASP 23 N -4.14 6.62 -0.16 2.29 1.11 0.57 -4.90 116.67 118.06 1x5i s ASP 23 Ca 0.45 0.75 0.14 0.00 0.18 0.00 0.00 52.55 54.07 1x5i s ASP 23 Cb -0.08 -2.31 0.39 0.00 1.07 0.00 0.00 42.92 41.99 1x5i s ASP 23 CO 0.30 -0.17 1.19 1.21 1.18 0.00 0.00 175.17 178.89 1x5i n GLU 24 N 4.63 1.23 -0.04 8.23 2.13 -1.26 -1.05 120.64 134.52 1x5i n GLU 24 Ca -0.04 -2.92 0.04 0.00 0.66 0.00 0.00 57.16 54.90 1x5i n GLU 24 Cb 0.50 -1.30 -0.16 0.00 0.27 0.00 0.00 31.44 30.76 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 -0.86 0.44 -4.77 6.31 -2.24 -1.26 -4.65 114.28 107.25 1x5i n THR 25 Ca 0.16 -0.59 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 1x5i n THR 25 Cb 0.76 -0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.70 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 -3.12 1.67 0.43 -0.78 1.70 -1.26 -5.00 118.95 112.59 1x5i s ARG 26 Ca -0.08 -1.15 -0.22 0.00 -0.47 0.00 0.00 55.73 53.81 1x5i s ARG 26 Cb 0.11 -1.91 -0.09 0.00 -0.57 0.00 0.00 34.95 32.48 1x5i s ARG 26 CO 0.84 0.48 1.01 0.14 -1.08 0.00 0.00 175.30 176.69 1x5i s VAL 27 N -0.86 3.98 -0.56 4.99 -7.23 -1.26 -4.75 120.40 114.70 1x5i s VAL 27 Ca 0.12 1.34 -0.27 0.00 -1.81 0.00 0.00 61.98 61.36 1x5i s VAL 27 Cb -0.10 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.21 1x5i s VAL 27 CO 0.03 -0.16 1.83 -2.16 -0.31 0.00 0.00 175.10 174.33 1x5i s PRO 28 N -2.91 2.78 1.29 4.82 0.04 -1.26 -4.83 135.00 134.93 1x5i s PRO 28 Ca 0.62 0.75 -0.19 0.00 0.04 0.00 0.00 61.00 62.21 1x5i s PRO 28 Cb -0.16 -4.34 0.30 0.00 0.04 0.00 0.00 34.50 30.33 1x5i s PRO 28 CO 0.20 -2.55 0.69 0.39 0.04 0.00 0.00 177.00 175.77 1x5i n GLU 29 N 9.02 -3.64 -1.34 4.56 -0.58 -1.26 -3.67 120.64 123.73 1x5i n GLU 29 Ca 0.21 -1.07 -0.53 0.00 -0.42 0.00 0.00 57.16 55.35 1x5i n GLU 29 Cb 0.51 -1.82 -0.07 0.00 -0.57 0.00 0.00 31.44 29.49 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 -5.25 0.10 -1.15 2.62 3.14 -1.25 -4.72 118.33 111.82 1x5i n VAL 30 Ca 0.09 -0.02 -0.29 0.00 -2.96 0.00 0.00 64.34 61.16 1x5i n VAL 30 Cb 0.53 0.00 0.19 0.00 -1.06 0.00 0.00 33.84 33.50 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 -0.05 0.07 0.17 1.45 0.04 -1.26 -4.93 135.00 130.48 1x5i s PRO 31 Ca 0.81 0.40 -0.25 0.00 0.04 0.00 0.00 61.00 61.99 1x5i s PRO 31 Cb -1.13 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 31.75 1x5i s PRO 31 CO 0.51 -2.95 1.57 1.03 0.04 0.00 0.00 177.00 177.21 1x5i h SER 32 N -2.05 -1.39 -1.80 6.66 0.87 -1.71 -3.47 113.55 110.68 1x5i h SER 32 Ca -0.54 0.23 0.11 0.00 -1.23 0.00 0.00 61.79 60.36 1x5i h SER 32 Cb 1.33 0.63 -0.02 0.00 -0.44 0.00 0.00 62.40 63.90 1x5i h SER 32 CO 0.54 -0.34 0.39 -1.20 -0.53 0.00 0.00 176.83 175.69 1x5i n SER 33 N -5.41 -1.08 -3.54 6.23 7.64 -1.26 -5.06 113.62 111.13 1x5i n SER 33 Ca 0.01 -1.55 -0.04 0.00 1.01 0.00 0.00 58.87 58.30 1x5i n SER 33 Cb 0.35 1.75 -0.06 0.00 -1.01 0.00 0.00 64.21 65.24 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1x5i s LEU 34 N 0.00 -0.92 -0.04 -3.43 2.96 -1.26 -3.39 118.68 112.60 1x5i s LEU 34 Ca 0.15 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 1x5i s LEU 34 Cb -0.02 1.75 -0.03 0.00 0.50 0.00 0.00 46.19 48.39 1x5i s LEU 34 CO 0.03 -0.24 0.00 -2.28 -1.32 0.00 0.00 176.35 172.54 1x5i s HIS 35 N 2.73 3.11 -0.05 5.38 5.65 0.18 -4.90 115.29 127.39 1x5i s HIS 35 Ca 0.02 0.13 0.02 0.00 0.25 0.00 0.00 55.06 55.47 1x5i s HIS 35 Cb -0.13 -1.72 0.02 0.00 -1.18 0.00 0.00 32.58 29.57 1x5i s HIS 35 CO -0.16 0.46 -0.07 0.14 -0.65 0.00 0.00 174.74 174.46 1x5i s VAL 36 N -1.00 0.73 -0.34 0.89 -7.23 -1.26 0.39 120.40 112.57 1x5i s VAL 36 Ca 0.17 -0.24 -0.04 0.00 -1.81 0.00 0.00 61.98 60.06 1x5i s VAL 36 Cb -0.11 -0.71 0.06 0.00 0.56 0.00 0.00 36.38 36.17 1x5i s VAL 36 CO 0.07 0.26 0.09 -0.60 -0.31 0.00 0.00 175.10 174.61 1x5i s ARG 37 N 0.79 2.43 0.08 4.82 3.00 0.40 -4.82 118.95 125.66 1x5i s ARG 37 Ca -0.13 -1.34 -0.31 0.00 -1.00 0.00 0.00 55.73 52.96 1x5i s ARG 37 Cb -0.15 -3.38 -0.07 0.00 0.00 0.00 0.00 34.95 31.35 1x5i s ARG 37 CO 0.01 -0.73 1.38 -1.25 0.00 0.00 0.00 175.30 174.71 1x5i s PRO 38 N 1.30 4.32 0.18 5.12 0.04 -1.26 -0.58 135.00 144.12 1x5i s PRO 38 Ca -0.01 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.16 1x5i s PRO 38 Cb -0.20 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 1x5i s PRO 38 CO -0.00 -0.46 -0.22 -0.51 0.04 0.00 0.00 177.00 175.85 1x5i s LEU 39 N 1.41 2.43 0.00 -3.56 1.02 0.19 -4.22 118.68 115.94 1x5i s LEU 39 Ca 0.64 -0.86 0.00 0.00 0.02 0.00 0.00 54.13 53.93 1x5i s LEU 39 Cb -0.35 -1.04 0.00 0.00 0.02 0.00 0.00 46.19 44.82 1x5i s LEU 39 CO 0.29 0.07 0.46 0.52 0.02 0.00 0.00 176.35 177.71 1x5i n VAL 40 N 0.32 0.00 -1.31 -1.59 0.31 -1.26 -2.06 118.33 112.74 1x5i n VAL 40 Ca -0.13 0.75 0.03 0.00 -0.01 0.00 0.00 64.34 64.98 1x5i n VAL 40 Cb 0.56 -1.03 0.20 0.00 -0.91 0.00 0.00 33.84 32.66 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 -1.88 2.29 -4.02 2.52 -2.24 -1.26 -3.64 114.28 106.05 1x5i n THR 41 Ca 0.00 -2.56 -0.13 0.00 -2.27 0.00 0.00 64.05 59.08 1x5i n THR 41 Cb 0.00 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 67.93 1x5i n THR 41 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x5i s SER 42 N -2.62 0.72 -0.29 3.42 0.01 -0.88 -2.06 113.70 112.01 1x5i s SER 42 Ca 0.40 -1.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.21 1x5i s SER 42 Cb 0.36 0.72 0.16 0.00 0.21 0.00 0.00 66.02 67.47 1x5i s SER 42 CO 0.01 -1.41 0.57 -0.63 0.41 0.00 0.00 173.24 172.19 1x5i s ILE 43 N -2.81 -0.93 -0.72 1.44 1.01 -0.30 0.54 121.20 119.43 1x5i s ILE 43 Ca 0.27 -0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.67 1x5i s ILE 43 Cb -0.02 -0.96 0.05 0.00 0.01 0.00 0.00 42.46 41.55 1x5i s ILE 43 CO 0.18 -0.01 1.14 -0.69 0.00 0.00 0.00 174.94 175.56 1x5i s VAL 44 N 2.81 4.02 -0.63 2.92 1.01 0.26 -1.49 120.40 129.31 1x5i s VAL 44 Ca 0.13 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 1x5i s VAL 44 Cb -0.14 -4.81 0.08 0.00 0.00 0.00 0.00 36.38 31.51 1x5i s VAL 44 CO -0.19 -1.67 0.86 -0.69 0.00 0.00 0.00 175.10 173.40 1x5i s VAL 45 N 4.88 4.53 -0.12 2.92 1.01 0.26 -0.45 120.40 133.43 1x5i s VAL 45 Ca 0.29 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 1x5i s VAL 45 Cb -0.12 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 1x5i s VAL 45 CO 0.11 -1.31 0.12 -0.94 0.00 0.00 0.00 175.10 173.08 1x5i s SER 46 N 3.63 6.20 0.35 3.32 1.04 0.16 -1.32 113.70 127.08 1x5i s SER 46 Ca 0.18 0.41 0.07 0.00 0.48 0.00 0.00 55.95 57.09 1x5i s SER 46 Cb -0.20 -1.98 -0.03 0.00 0.10 0.00 0.00 66.02 63.92 1x5i s SER 46 CO 0.09 0.40 0.27 -2.67 0.98 0.00 0.00 173.24 172.31 1x5i n TRP 47 N 2.06 -0.71 -3.92 5.02 2.14 -1.02 0.48 117.44 121.50 1x5i n TRP 47 Ca -0.20 -2.83 -0.10 0.00 2.07 0.00 0.00 57.50 56.44 1x5i n TRP 47 Cb 0.55 0.26 -0.10 0.00 -0.81 0.00 0.00 31.31 31.21 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 -3.35 0.12 0.81 -1.67 -4.23 -1.22 -4.82 115.64 101.28 1x5i s THR 48 Ca 0.38 -0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.84 1x5i s THR 48 Cb 0.02 -0.67 0.08 0.00 1.34 0.00 0.00 72.50 73.27 1x5i s THR 48 CO 0.27 -0.52 1.09 -2.16 -0.54 0.00 0.00 174.62 172.76 1x5i s PRO 49 N -2.08 1.94 0.05 3.99 0.04 -1.26 -4.08 135.00 133.60 1x5i s PRO 49 Ca -0.09 1.07 -0.31 0.00 0.04 0.00 0.00 61.00 61.71 1x5i s PRO 49 Cb -0.04 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 1x5i s PRO 49 CO -0.02 -1.84 1.41 -1.25 0.04 0.00 0.00 177.00 175.35 1x5i s PRO 50 N -4.91 4.29 0.43 0.56 0.04 -1.26 -3.75 135.00 130.41 1x5i s PRO 50 Ca 0.62 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.98 1x5i s PRO 50 Cb -0.17 -3.46 1.40 0.00 0.04 0.00 0.00 34.50 32.31 1x5i s PRO 50 CO 0.56 -0.53 1.62 1.05 0.04 0.00 0.00 177.00 179.75 1x5i h GLU 51 N 7.49 0.09 -5.94 4.56 4.11 -1.93 -3.33 114.58 119.63 1x5i h GLU 51 Ca -0.40 -0.01 -0.46 0.00 0.07 0.00 0.00 59.36 58.57 1x5i h GLU 51 Cb 1.19 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1x5i h GLU 51 CO 0.89 0.06 1.20 1.21 0.07 0.00 0.00 179.01 182.44 1x5i s ASN 52 N -4.51 5.30 -0.10 3.06 3.84 -1.26 -4.83 114.94 116.44 1x5i s ASN 52 Ca -0.08 0.03 -0.00 0.00 0.21 0.00 0.00 52.86 53.02 1x5i s ASN 52 Cb 0.30 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 38.54 1x5i s ASN 52 CO 0.82 -2.42 1.81 0.00 -2.79 0.00 0.00 177.10 174.52 1x5i n GLN 53 N 9.12 1.26 0.00 0.43 1.13 -1.25 -3.34 117.38 124.73 1x5i n GLN 53 Ca 0.24 -0.53 0.00 0.00 -1.94 0.00 0.00 57.00 54.77 1x5i n GLN 53 Cb 0.51 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1x5i n GLN 53 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x5i n ASN 54 N 0.90 4.40 -4.70 1.08 5.03 -1.26 -5.02 115.26 115.69 1x5i n ASN 54 Ca 0.10 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.15 1x5i n ASN 54 Cb 0.56 0.84 -0.04 0.00 -1.02 0.00 0.00 39.78 40.12 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1x5i s ILE 55 N -1.77 5.00 -0.44 2.41 1.01 -1.21 -0.31 121.20 125.89 1x5i s ILE 55 Ca 0.00 1.51 -0.28 0.00 0.00 0.00 0.00 60.65 61.88 1x5i s ILE 55 Cb 0.00 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 1x5i s ILE 55 CO 0.00 0.19 1.66 -0.69 0.00 0.00 0.00 174.94 176.10 1x5i s VAL 56 N 1.17 3.61 -0.33 2.92 1.01 -0.21 -4.91 120.40 123.66 1x5i s VAL 56 Ca 0.38 0.57 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 1x5i s VAL 56 Cb -0.18 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 1x5i s VAL 56 CO 0.17 -0.70 0.18 -0.69 0.00 0.00 0.00 175.10 174.06 1x5i s VAL 57 N 6.81 4.71 -0.06 2.92 1.01 -1.26 -4.67 120.40 129.86 1x5i s VAL 57 Ca 0.69 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 1x5i s VAL 57 Cb -0.17 -3.46 -0.30 0.00 0.00 0.00 0.00 36.38 32.45 1x5i s VAL 57 CO 0.30 -0.02 0.79 0.03 0.00 0.00 0.00 175.10 176.20 1x5i h ARG 58 N 8.40 0.29 0.00 2.72 2.47 -1.91 -3.46 114.38 122.89 1x5i h ARG 58 Ca -0.30 -0.49 0.22 0.00 -1.26 0.00 0.00 59.98 58.14 1x5i h ARG 58 Cb 1.14 0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 29.60 1x5i h ARG 58 CO 0.63 1.24 0.67 0.41 0.56 0.00 0.00 179.97 183.48 1x5i n GLY 59 N 1.69 0.48 3.49 0.04 0.00 -0.55 -3.22 105.19 107.11 1x5i n GLY 59 Ca -0.18 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.26 2.11 -0.10 1.61 1.51 -1.22 -0.44 117.35 118.56 1x5i s TYR 60 Ca 0.24 -0.82 -0.00 0.00 -1.01 0.00 0.00 57.07 55.48 1x5i s TYR 60 Cb -0.02 -1.37 0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1x5i s TYR 60 CO 0.03 0.19 -0.07 0.00 -1.11 0.00 0.00 175.55 174.58 1x5i s ALA 61 N -3.08 1.19 -0.14 3.71 0.00 -0.57 -3.68 121.76 119.19 1x5i s ALA 61 Ca 0.35 -0.44 -0.08 0.00 0.00 0.00 0.00 51.96 51.79 1x5i s ALA 61 Cb 0.08 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1x5i s ALA 61 CO 0.15 -0.32 0.13 0.42 0.00 0.00 0.00 175.76 176.15 1x5i s ILE 62 N 1.54 5.46 -0.06 0.00 1.01 -1.00 -2.23 121.20 125.93 1x5i s ILE 62 Ca 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.85 1x5i s ILE 62 Cb -0.13 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 38.96 1x5i s ILE 62 CO -0.06 0.58 -0.01 -0.83 0.00 0.00 0.00 174.94 174.63 1x5i s GLY 63 N -0.74 0.43 0.38 6.18 0.00 0.12 -1.45 107.32 112.23 1x5i s GLY 63 Ca 0.13 -0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.84 1x5i s GLY 63 CO 0.03 0.86 0.05 -2.52 0.00 0.00 0.00 173.10 171.51 1x5i s TYR 64 N 1.52 2.07 0.00 1.90 1.13 -1.10 0.05 117.35 122.91 1x5i s TYR 64 Ca -0.02 -0.93 0.00 0.00 -1.41 0.00 0.00 57.07 54.71 1x5i s TYR 64 Cb -0.13 -1.42 0.00 0.00 -1.10 0.00 0.00 41.96 39.31 1x5i s TYR 64 CO -0.03 0.10 0.00 0.41 -2.51 0.00 0.00 175.55 173.52 1x5i n GLY 65 N -0.85 4.10 3.55 5.49 0.00 -1.22 -2.80 105.19 113.46 1x5i n GLY 65 Ca -0.05 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.32 0.14 0.00 -0.61 2.08 -1.26 -2.64 119.36 115.75 1x5i n ILE 66 Ca 0.00 -0.54 0.00 0.00 0.56 0.00 0.00 62.75 62.77 1x5i n ILE 66 Cb 0.00 -2.43 0.00 0.00 -0.75 0.00 0.00 39.64 36.46 1x5i n ILE 66 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x5i n GLY 67 N 6.02 1.22 3.23 7.39 0.00 -1.26 -4.84 105.19 116.94 1x5i n GLY 67 Ca 0.36 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 1x5i n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5i s SER 68 N 0.00 3.73 0.00 1.61 0.01 -1.18 -4.80 113.70 113.07 1x5i s SER 68 Ca 0.00 -0.50 0.13 0.00 1.31 0.00 0.00 55.95 56.89 1x5i s SER 68 Cb 0.00 -1.61 0.80 0.00 0.21 0.00 0.00 66.02 65.43 1x5i s SER 68 CO 0.00 0.01 1.23 -0.81 0.41 0.00 0.00 173.24 174.07 1x5i n PRO 69 N 4.59 0.49 -0.92 12.44 -0.04 -1.26 -3.69 135.00 146.60 1x5i n PRO 69 Ca -0.19 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.12 1x5i n PRO 69 Cb 0.51 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 1x5i n PRO 69 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1x5i n HIS 70 N -0.93 1.03 -0.06 0.54 1.44 -1.26 -3.41 115.22 112.57 1x5i n HIS 70 Ca 0.10 -1.69 -0.13 0.00 -2.01 0.00 0.00 57.72 53.99 1x5i n HIS 70 Cb 0.05 -1.00 -0.04 0.00 0.12 0.00 0.00 29.99 29.12 1x5i n HIS 70 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x5i n ALA 71 N 0.93 1.84 -2.68 1.59 0.00 -1.14 -5.07 120.51 115.98 1x5i n ALA 71 Ca 0.28 -0.60 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 1x5i n ALA 71 Cb 0.59 0.22 -0.11 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.40 0.43 -0.04 0.00 -1.52 -1.12 -5.04 119.66 109.98 1x5i s GLN 72 Ca -0.21 -0.83 0.01 0.00 -1.95 0.00 0.00 55.36 52.38 1x5i s GLN 72 Cb 0.06 0.10 0.02 0.00 -0.22 0.00 0.00 33.01 32.98 1x5i s GLN 72 CO 0.28 -0.06 -0.03 0.99 -0.25 0.00 0.00 175.29 176.22 1x5i s THR 73 N -2.26 0.38 -0.22 -0.19 2.01 -1.26 -2.72 115.64 111.38 1x5i s THR 73 Ca -0.08 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 1x5i s THR 73 Cb -0.04 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 72.06 1x5i s THR 73 CO -0.04 0.19 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.33 1x5i s ILE 74 N 0.92 2.52 -0.25 1.82 1.01 -0.53 -4.97 121.20 121.72 1x5i s ILE 74 Ca -0.11 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.42 1x5i s ILE 74 Cb -0.14 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1x5i s ILE 74 CO -0.00 0.33 0.20 -0.54 0.00 0.00 0.00 174.94 174.93 1x5i s LYS 75 N 1.30 4.05 0.10 2.79 1.02 -1.26 -2.39 119.74 125.35 1x5i s LYS 75 Ca 0.02 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.78 1x5i s LYS 75 Cb -0.15 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 1x5i s LYS 75 CO -0.08 -0.02 -0.00 0.14 -0.92 0.00 0.00 175.35 174.47 1x5i s VAL 76 N 1.29 0.28 0.88 3.17 -7.23 -1.24 -5.05 120.40 112.51 1x5i s VAL 76 Ca 0.09 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.26 1x5i s VAL 76 Cb -0.14 -1.79 0.10 0.00 0.56 0.00 0.00 36.38 35.11 1x5i s VAL 76 CO 0.07 -0.74 1.01 0.47 -0.31 0.00 0.00 175.10 175.59 1x5i n ASP 77 N -0.02 0.04 0.05 4.85 9.92 -1.26 -3.44 116.55 126.70 1x5i n ASP 77 Ca -0.10 0.46 -0.12 0.00 -0.53 0.00 0.00 54.79 54.50 1x5i n ASP 77 Cb 0.62 -1.43 -0.08 0.00 -0.64 0.00 0.00 41.12 39.60 1x5i n ASP 77 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1x5i h TYR 78 N -1.49 -0.05 -0.83 1.24 -0.00 -1.88 -3.00 116.97 110.96 1x5i h TYR 78 Ca -0.44 -0.00 0.16 0.00 -0.00 0.00 0.00 58.73 58.45 1x5i h TYR 78 Cb 1.28 0.02 -0.16 0.00 -0.00 0.00 0.00 36.73 37.87 1x5i h TYR 78 CO 0.46 0.05 -0.21 1.63 -0.00 0.00 0.00 178.16 180.09 1x5i n LYS 79 N -5.07 -0.08 -1.20 0.10 5.02 -1.26 -4.43 118.16 111.24 1x5i n LYS 79 Ca -0.08 1.29 -0.54 0.00 -2.02 0.00 0.00 58.31 56.97 1x5i n LYS 79 Cb 0.09 -1.93 -0.10 0.00 -0.02 0.00 0.00 35.03 33.07 1x5i n LYS 79 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1x5i n GLN 80 N -5.35 0.00 -0.01 1.97 1.13 -1.13 -4.80 117.38 109.19 1x5i n GLN 80 Ca 0.13 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 55.01 1x5i n GLN 80 Cb 0.41 -1.31 -0.08 0.00 0.11 0.00 0.00 30.24 29.37 1x5i n GLN 80 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1x5i h ARG 81 N 6.99 0.73 -3.31 -1.09 9.65 -1.90 -3.48 114.38 121.97 1x5i h ARG 81 Ca -0.16 -0.65 -0.02 0.00 -1.10 0.00 0.00 59.98 58.06 1x5i h ARG 81 Cb 1.23 0.15 -0.09 0.00 -1.39 0.00 0.00 29.97 29.86 1x5i h ARG 81 CO 0.93 1.25 0.03 1.52 2.80 0.00 0.00 179.97 186.50 1x5i s TYR 82 N -3.61 -0.07 0.01 2.20 1.13 -1.26 -2.43 117.35 113.31 1x5i s TYR 82 Ca -0.11 -0.28 0.04 0.00 -1.41 0.00 0.00 57.07 55.32 1x5i s TYR 82 Cb 0.08 0.40 -0.01 0.00 -1.10 0.00 0.00 41.96 41.32 1x5i s TYR 82 CO 0.90 -0.96 -0.13 -0.47 -2.51 0.00 0.00 175.55 172.38 1x5i s TYR 83 N -3.89 1.16 -0.43 -3.49 6.14 -0.43 -4.97 117.35 111.44 1x5i s TYR 83 Ca 0.11 -0.26 -0.11 0.00 0.64 0.00 0.00 57.07 57.45 1x5i s TYR 83 Cb -0.01 -0.73 0.08 0.00 0.42 0.00 0.00 41.96 41.71 1x5i s TYR 83 CO -0.01 -0.00 0.29 0.99 0.64 0.00 0.00 175.55 177.46 1x5i s THR 84 N -0.49 4.45 -0.55 4.34 2.01 -1.26 -0.58 115.64 123.56 1x5i s THR 84 Ca 0.04 -1.31 -0.23 0.00 0.31 0.00 0.00 61.69 60.49 1x5i s THR 84 Cb -0.06 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.79 1x5i s THR 84 CO 0.00 -0.51 0.90 -0.63 -0.69 0.00 0.00 174.62 173.68 1x5i s ILE 85 N 1.47 4.46 0.44 1.82 1.01 -0.55 -4.87 121.20 124.98 1x5i s ILE 85 Ca 0.03 0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.89 1x5i s ILE 85 Cb -0.23 -4.51 0.01 0.00 0.01 0.00 0.00 42.46 37.74 1x5i s ILE 85 CO 0.03 -1.09 0.54 -1.61 0.00 0.00 0.00 174.94 172.81 1x5i s GLU 86 N 3.76 2.70 -0.39 2.79 2.02 -1.26 -1.15 118.70 127.16 1x5i s GLU 86 Ca 0.28 -1.37 -0.01 0.00 0.02 0.00 0.00 54.97 53.89 1x5i s GLU 86 Cb -0.14 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1x5i s GLU 86 CO 0.18 -0.31 0.33 0.09 0.02 0.00 0.00 175.26 175.57 1x5i n ASN 87 N -1.81 -2.58 -4.45 -0.19 3.02 -0.87 -4.96 115.26 103.42 1x5i n ASN 87 Ca 0.07 -0.18 -0.25 0.00 -0.03 0.00 0.00 54.58 54.19 1x5i n ASN 87 Cb 0.60 -1.90 -0.11 0.00 -0.61 0.00 0.00 39.78 37.76 1x5i n ASN 87 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5i s LEU 88 N -3.16 2.53 -0.18 3.41 1.43 -1.21 -5.07 118.68 116.44 1x5i s LEU 88 Ca 0.08 -0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 51.92 1x5i s LEU 88 Cb -0.03 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 45.05 1x5i s LEU 88 CO 0.22 0.07 1.12 -1.81 0.23 0.00 0.00 176.35 176.18 1x5i s ASP 89 N -3.18 7.07 1.06 2.29 1.11 -1.26 -4.60 116.67 119.16 1x5i s ASP 89 Ca 0.26 1.54 -0.14 0.00 0.18 0.00 0.00 52.55 54.39 1x5i s ASP 89 Cb -0.06 -2.54 0.22 0.00 1.07 0.00 0.00 42.92 41.60 1x5i s ASP 89 CO 0.13 -0.66 1.10 -2.16 1.18 0.00 0.00 175.17 174.76 1x5i s PRO 90 N 3.02 -0.03 -1.25 8.23 0.04 -1.24 -4.20 135.00 139.57 1x5i s PRO 90 Ca 0.49 0.36 -0.10 0.00 0.04 0.00 0.00 61.00 61.79 1x5i s PRO 90 Cb -0.18 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1x5i s PRO 90 CO 0.12 -3.01 0.66 -1.13 0.04 0.00 0.00 177.00 173.68 1x5i n SER 91 N -4.34 -3.00 -3.62 6.66 3.41 -0.43 -4.79 113.62 107.51 1x5i n SER 91 Ca 0.07 -0.97 -0.16 0.00 -0.26 0.00 0.00 58.87 57.55 1x5i n SER 91 Cb 0.58 -3.44 -0.07 0.00 -0.26 0.00 0.00 64.21 61.02 1x5i n SER 91 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5i s SER 92 N -3.92 -0.52 -0.30 4.04 0.01 -1.23 -4.97 113.70 106.81 1x5i s SER 92 Ca 0.24 0.64 -0.18 0.00 1.31 0.00 0.00 55.95 57.96 1x5i s SER 92 Cb -0.08 0.61 -0.02 0.00 0.21 0.00 0.00 66.02 66.74 1x5i s SER 92 CO 0.86 -0.48 0.52 -2.28 0.41 0.00 0.00 173.24 172.26 1x5i s HIS 93 N -0.93 3.22 0.11 2.43 5.65 -1.26 -0.63 115.29 123.88 1x5i s HIS 93 Ca -0.10 0.42 0.05 0.00 0.25 0.00 0.00 55.06 55.69 1x5i s HIS 93 Cb -0.02 -2.83 -0.04 0.00 -1.18 0.00 0.00 32.58 28.51 1x5i s HIS 93 CO 0.07 -0.41 0.01 0.71 -0.65 0.00 0.00 174.74 174.47 1x5i s TYR 94 N 2.37 2.98 -0.36 3.88 1.51 0.11 -4.08 117.35 123.76 1x5i s TYR 94 Ca 0.20 -0.04 -0.06 0.00 -1.01 0.00 0.00 57.07 56.16 1x5i s TYR 94 Cb -0.15 -1.51 0.06 0.00 -0.11 0.00 0.00 41.96 40.24 1x5i s TYR 94 CO 0.11 0.49 0.14 0.08 -1.11 0.00 0.00 175.55 175.26 1x5i s VAL 95 N -1.41 3.70 -0.09 0.71 1.01 -1.08 -2.38 120.40 120.87 1x5i s VAL 95 Ca 0.26 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 1x5i s VAL 95 Cb -0.11 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1x5i s VAL 95 CO 0.19 -0.32 0.29 -0.63 0.00 0.00 0.00 175.10 174.63 1x5i s ILE 96 N 1.35 5.26 0.01 2.22 1.09 -1.25 -3.40 121.20 126.47 1x5i s ILE 96 Ca 0.00 0.56 0.02 0.00 -1.10 0.00 0.00 60.65 60.13 1x5i s ILE 96 Cb -0.21 -3.59 -0.01 0.00 -1.06 0.00 0.00 42.46 37.59 1x5i s ILE 96 CO 0.01 0.53 -0.07 0.42 -0.10 0.00 0.00 174.94 175.74 1x5i s THR 97 N -0.59 0.50 0.02 2.92 -4.23 0.11 -2.49 115.64 111.87 1x5i s THR 97 Ca 0.19 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.23 1x5i s THR 97 Cb -0.14 -0.46 -0.01 0.00 1.34 0.00 0.00 72.50 73.22 1x5i s THR 97 CO 0.08 -0.01 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.84 1x5i s LEU 98 N -0.55 2.13 -0.11 4.79 2.96 -1.23 0.14 118.68 126.80 1x5i s LEU 98 Ca -0.01 -0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 53.51 1x5i s LEU 98 Cb -0.04 -0.32 0.05 0.00 0.50 0.00 0.00 46.19 46.38 1x5i s LEU 98 CO 0.00 -0.03 0.27 -1.59 -1.32 0.00 0.00 176.35 173.68 1x5i s LYS 99 N -0.83 0.24 -0.07 1.98 -2.85 -0.95 -0.52 119.74 116.74 1x5i s LYS 99 Ca -0.02 0.56 -0.30 0.00 -1.00 0.00 0.00 55.97 55.21 1x5i s LYS 99 Cb -0.06 -0.10 -0.03 0.00 -2.06 0.00 0.00 37.83 35.59 1x5i s LYS 99 CO 0.00 -0.16 1.14 0.00 0.10 0.00 0.00 175.35 176.44 1x5i s ALA 100 N 1.23 3.47 0.03 0.59 0.00 -1.26 -1.52 121.76 124.30 1x5i s ALA 100 Ca -0.09 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.47 1x5i s ALA 100 Cb -0.10 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1x5i s ALA 100 CO -0.09 -0.71 -0.17 -0.59 0.00 0.00 0.00 175.76 174.20 1x5i s PHE 101 N 2.15 1.47 0.19 0.00 -0.12 0.41 -2.71 117.98 119.37 1x5i s PHE 101 Ca 0.53 -0.34 0.03 0.00 -0.05 0.00 0.00 56.93 57.11 1x5i s PHE 101 Cb -0.23 -0.89 -0.01 0.00 -0.63 0.00 0.00 43.02 41.26 1x5i s PHE 101 CO 0.21 0.04 0.12 0.27 -0.05 0.00 0.00 175.22 175.81 1x5i n ASN 102 N 2.04 0.19 -0.30 1.98 6.94 0.91 -1.49 115.26 125.53 1x5i n ASN 102 Ca -0.17 -2.14 0.13 0.00 -0.02 0.00 0.00 54.58 52.38 1x5i n ASN 102 Cb 0.54 0.75 0.30 0.00 -2.36 0.00 0.00 39.78 39.01 1x5i n ASN 102 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 1x5i h ASN 103 N 0.98 0.34 -0.01 0.53 -0.73 -1.95 -1.16 115.58 113.59 1x5i h ASN 103 Ca -0.14 0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 1x5i h ASN 103 Cb 0.63 0.13 -0.00 0.00 0.27 0.00 0.00 38.32 39.34 1x5i h ASN 103 CO 0.21 0.01 -0.01 0.58 -0.37 0.00 0.00 177.43 177.86 1x5i h VAL 104 N 0.41 1.34 0.00 2.57 2.07 -1.92 -3.50 116.25 117.23 1x5i h VAL 104 Ca 0.55 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1x5i h VAL 104 Cb 1.02 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1x5i h VAL 104 CO -0.52 0.27 0.00 0.61 0.02 0.00 0.00 177.57 177.95 1x5i n GLY 105 N 0.08 -0.95 3.61 2.17 0.00 -0.44 -4.96 105.19 104.70 1x5i n GLY 105 Ca -0.08 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 1x5i n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5i s GLU 106 N -1.54 1.99 0.00 1.61 1.03 -1.26 -0.06 118.70 120.47 1x5i s GLU 106 Ca 0.00 -1.88 0.00 0.00 0.03 0.00 0.00 54.97 53.12 1x5i s GLU 106 Cb 0.00 -1.81 0.00 0.00 -0.80 0.00 0.00 34.13 31.52 1x5i s GLU 106 CO 0.00 0.08 0.00 0.41 -1.33 0.00 0.00 175.26 174.42 1x5i n GLY 107 N -0.93 1.41 3.65 -3.83 0.00 -1.10 -4.86 105.19 99.52 1x5i n GLY 107 Ca -0.04 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 4.11 4.95 0.99 -0.61 -0.00 -1.26 -4.94 121.20 124.44 1x5i s ILE 108 Ca 0.00 0.03 -0.12 0.00 -0.00 0.00 0.00 60.65 60.55 1x5i s ILE 108 Cb 0.00 -3.25 0.18 0.00 -0.00 0.00 0.00 42.46 39.39 1x5i s ILE 108 CO 0.00 0.44 1.09 -2.16 -0.00 0.00 0.00 174.94 174.31 1x5i s PRO 109 N 0.51 0.51 0.19 0.37 0.04 -1.26 -3.87 135.00 131.49 1x5i s PRO 109 Ca 0.05 0.56 0.07 0.00 0.04 0.00 0.00 61.00 61.71 1x5i s PRO 109 Cb -0.12 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1x5i s PRO 109 CO 0.00 -2.69 0.06 -0.51 0.04 0.00 0.00 177.00 173.91 1x5i s LEU 110 N -6.44 3.49 -0.15 -3.56 1.43 0.32 -4.90 118.68 108.87 1x5i s LEU 110 Ca 0.65 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1x5i s LEU 110 Cb -0.19 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 1x5i s LEU 110 CO 0.58 0.06 -0.11 -0.31 0.23 0.00 0.00 176.35 176.79 1x5i s TYR 111 N -1.84 2.85 0.36 0.29 1.51 -1.26 -3.58 117.35 115.67 1x5i s TYR 111 Ca 0.29 -0.71 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 1x5i s TYR 111 Cb -0.09 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 1x5i s TYR 111 CO 0.21 -0.28 0.25 -1.21 -1.11 0.00 0.00 175.55 173.40 1x5i s GLU 112 N 0.58 1.83 -0.00 -0.62 0.41 -1.04 -5.05 118.70 114.81 1x5i s GLU 112 Ca -0.07 -2.08 -0.03 0.00 -0.41 0.00 0.00 54.97 52.38 1x5i s GLU 112 Cb -0.15 0.09 -0.00 0.00 -1.78 0.00 0.00 34.13 32.28 1x5i s GLU 112 CO 0.03 -0.62 0.06 -1.54 -0.49 0.00 0.00 175.26 172.70 1x5i s SER 113 N -3.45 0.06 -0.26 -0.19 1.04 -1.26 -3.93 113.70 105.71 1x5i s SER 113 Ca 0.36 -0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.52 1x5i s SER 113 Cb 0.02 0.15 0.11 0.00 0.10 0.00 0.00 66.02 66.41 1x5i s SER 113 CO 0.25 -0.23 0.55 0.00 0.98 0.00 0.00 173.24 174.79 1x5i s ALA 114 N -0.91 -1.68 -0.59 5.32 0.00 -1.00 -4.79 121.76 118.12 1x5i s ALA 114 Ca -0.10 1.99 -0.16 0.00 0.00 0.00 0.00 51.96 53.69 1x5i s ALA 114 Cb -0.06 -1.59 0.14 0.00 0.00 0.00 0.00 23.12 21.61 1x5i s ALA 114 CO 0.00 -0.86 0.56 0.08 0.00 0.00 0.00 175.76 175.54 1x5i s VAL 115 N 2.78 5.24 -0.27 0.00 1.01 -1.26 -0.71 120.40 127.19 1x5i s VAL 115 Ca -0.04 -1.61 -0.42 0.00 0.00 0.00 0.00 61.98 59.91 1x5i s VAL 115 Cb -0.12 -4.37 -0.18 0.00 0.00 0.00 0.00 36.38 31.71 1x5i s VAL 115 CO -0.16 -0.92 1.56 0.35 0.00 0.00 0.00 175.10 175.93 1x5i n THR 116 N 5.08 0.13 -1.12 3.92 -2.24 0.20 -4.74 114.28 115.51 1x5i n THR 116 Ca -0.09 -0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.30 1x5i n THR 116 Cb 0.41 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 1x5i n THR 116 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x5i n ARG 117 N 4.08 0.00 -2.04 -0.78 5.12 -1.24 -1.32 116.66 120.48 1x5i n ARG 117 Ca 0.26 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.79 1x5i n ARG 117 Cb 0.07 -0.84 -0.03 0.00 -1.16 0.00 0.00 32.46 30.50 1x5i n ARG 117 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1x5i s PRO 118 N -0.84 2.69 -0.37 5.56 0.04 -1.26 -1.47 135.00 139.35 1x5i s PRO 118 Ca 0.51 0.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.21 1x5i s PRO 118 Cb -0.62 -4.37 0.13 0.00 0.04 0.00 0.00 34.50 29.68 1x5i s PRO 118 CO 0.51 -2.65 2.42 1.58 0.04 0.00 0.00 177.00 178.90 1x5i n HIS 119 N 12.51 1.53 -3.63 0.56 -0.00 -1.26 -4.78 115.22 120.15 1x5i n HIS 119 Ca 0.21 -1.95 -0.26 0.00 0.46 0.00 0.00 57.72 56.17 1x5i n HIS 119 Cb 0.52 -1.18 -0.17 0.00 -0.12 0.00 0.00 29.99 29.04 1x5i n HIS 119 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1x5i s THR 120 N -2.19 0.01 -0.16 3.57 2.01 -1.26 -4.99 115.64 112.63 1x5i s THR 120 Ca 0.45 -0.19 -0.08 0.00 0.31 0.00 0.00 61.69 62.19 1x5i s THR 120 Cb 0.31 -0.62 0.06 0.00 0.01 0.00 0.00 72.50 72.27 1x5i s THR 120 CO -0.10 -0.24 0.38 -0.44 -0.69 0.00 0.00 174.62 173.52 1x5i s SER 121 N 2.10 -0.34 0.94 3.53 0.01 -1.26 -5.16 113.70 113.51 1x5i s SER 121 Ca 0.02 0.84 -0.12 0.00 1.31 0.00 0.00 55.95 58.00 1x5i s SER 121 Cb -0.16 0.85 0.15 0.00 0.21 0.00 0.00 66.02 67.07 1x5i s SER 121 CO -0.09 -0.20 1.09 -0.83 0.41 0.00 0.00 173.24 173.62 1x5i s GLY 122 N 1.76 1.61 1.18 3.44 0.00 -1.26 -5.04 107.32 109.02 1x5i s GLY 122 Ca -0.07 -0.03 -0.20 0.00 0.00 0.00 0.00 44.72 44.43 1x5i s GLY 122 CO -0.12 0.49 1.05 -1.55 0.00 0.00 0.00 173.10 172.98 1x5i n PRO 123 N -4.07 -3.07 -3.65 2.90 -0.04 -1.26 -5.09 135.00 120.71 1x5i n PRO 123 Ca 0.07 -1.68 -0.08 0.00 -0.04 0.00 0.00 63.50 61.77 1x5i n PRO 123 Cb 0.55 -1.58 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 1x5i n PRO 123 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5i s SER 124 N -4.34 -0.84 -0.51 3.54 0.01 -1.26 -5.12 113.70 105.19 1x5i s SER 124 Ca 0.68 1.36 -0.23 0.00 1.31 0.00 0.00 55.95 59.07 1x5i s SER 124 Cb -0.07 1.23 0.04 0.00 0.21 0.00 0.00 66.02 67.43 1x5i s SER 124 CO 0.52 -0.23 0.84 -0.55 0.41 0.00 0.00 173.24 174.24 1x5i s SER 125 N 1.56 6.36 0.00 2.44 0.15 -1.26 -5.36 113.70 117.59 1x5i s SER 125 Ca -0.10 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1x5i s SER 125 Cb -0.06 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1x5i s SER 125 CO -0.18 -1.07 0.50 0.61 1.20 0.00 0.00 173.24 174.30