#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5i n SER 2 N 0.00 -4.03 -4.16 1.61 2.88 -1.26 -4.93 113.62 103.73 1x5i n SER 2 Ca 0.00 -0.78 -0.39 0.00 -1.33 0.00 0.00 58.87 56.37 1x5i n SER 2 Cb 0.00 -3.96 -0.08 0.00 -0.75 0.00 0.00 64.21 59.42 1x5i n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5i s SER 3 N -3.55 5.61 0.21 -3.46 0.15 -1.26 -5.04 113.70 106.36 1x5i s SER 3 Ca 0.51 -2.69 0.00 0.00 0.70 0.00 0.00 55.95 54.47 1x5i s SER 3 Cb -0.25 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1x5i s SER 3 CO 0.82 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.42 1x5i n GLY 4 N 3.78 -0.77 3.76 9.45 0.00 -1.26 -4.64 105.19 115.51 1x5i n GLY 4 Ca 0.07 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.85 7.00 -0.40 1.61 0.01 -1.26 -4.99 113.70 111.82 1x5i s SER 5 Ca 0.00 2.47 -0.21 0.00 1.31 0.00 0.00 55.95 59.52 1x5i s SER 5 Cb 0.00 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.61 1x5i s SER 5 CO 0.00 -0.37 0.67 -0.44 0.41 0.00 0.00 173.24 173.51 1x5i s SER 6 N -0.53 6.39 -0.31 2.44 0.01 -1.26 -4.60 113.70 115.85 1x5i s SER 6 Ca 0.48 -0.05 -0.19 0.00 1.31 0.00 0.00 55.95 57.51 1x5i s SER 6 Cb -0.36 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.56 1x5i s SER 6 CO 0.46 -0.71 0.39 0.61 0.41 0.00 0.00 173.24 174.40 1x5i n GLY 7 N 4.83 -0.84 0.00 3.44 0.00 -1.26 -4.82 105.19 106.54 1x5i n GLY 7 Ca -0.01 0.80 0.07 0.00 0.00 0.00 0.00 46.02 46.88 1x5i n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5i n PRO 8 N 0.29 0.01 -1.71 1.61 -0.04 -1.26 -4.83 135.00 129.07 1x5i n PRO 8 Ca -0.01 0.25 -0.60 0.00 -0.04 0.00 0.00 63.50 63.10 1x5i n PRO 8 Cb 0.49 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 1x5i n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5i n ALA 9 N -1.49 -0.63 -2.83 0.55 0.00 -1.26 -4.95 120.51 109.90 1x5i n ALA 9 Ca 0.03 0.43 -0.20 0.00 0.00 0.00 0.00 53.44 53.70 1x5i n ALA 9 Cb 0.16 -2.12 -0.15 0.00 0.00 0.00 0.00 19.45 17.34 1x5i n ALA 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x5i s THR 10 N 3.16 0.86 0.27 0.00 -4.23 -1.26 -5.15 115.64 109.28 1x5i s THR 10 Ca 0.99 -0.43 0.12 0.00 -1.18 0.00 0.00 61.69 61.19 1x5i s THR 10 Cb -1.19 -0.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.87 1x5i s THR 10 CO 0.69 0.25 -0.19 -1.81 -0.54 0.00 0.00 174.62 173.03 1x5i s ASP 11 N -0.04 3.66 0.04 3.99 1.01 -1.26 -5.15 116.67 118.91 1x5i s ASP 11 Ca 0.00 -0.97 -0.03 0.00 0.71 0.00 0.00 52.55 52.26 1x5i s ASP 11 Cb -0.07 -0.34 -0.02 0.00 1.01 0.00 0.00 42.92 43.50 1x5i s ASP 11 CO 0.00 0.05 0.04 -1.66 0.21 0.00 0.00 175.17 173.82 1x5i s TRP 12 N -2.37 0.29 -0.05 4.23 -2.14 -1.26 -5.16 118.94 112.48 1x5i s TRP 12 Ca 0.29 -0.65 0.01 0.00 2.66 0.00 0.00 56.10 58.42 1x5i s TRP 12 Cb -0.06 -0.21 -0.03 0.00 -3.10 0.00 0.00 33.47 30.08 1x5i s TRP 12 CO 0.15 -0.34 -0.07 -1.17 -2.66 0.00 0.00 176.95 172.86 1x5i s LEU 13 N -2.21 3.18 -0.90 -4.66 2.96 -1.26 -5.03 118.68 110.76 1x5i s LEU 13 Ca -0.04 -0.05 -0.25 0.00 -0.22 0.00 0.00 54.13 53.57 1x5i s LEU 13 Cb -0.00 -1.73 -0.09 0.00 0.50 0.00 0.00 46.19 44.87 1x5i s LEU 13 CO -0.05 0.34 2.09 -0.44 -1.32 0.00 0.00 176.35 176.97 1x5i s SER 14 N -0.99 4.67 0.32 3.68 0.01 -1.26 -4.83 113.70 115.31 1x5i s SER 14 Ca 0.14 -0.56 -0.16 0.00 1.31 0.00 0.00 55.95 56.67 1x5i s SER 14 Cb -0.11 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.59 1x5i s SER 14 CO 0.03 -3.22 0.69 0.00 0.41 0.00 0.00 173.24 171.16 1x5i s ALA 15 N 11.92 -0.74 0.33 1.44 0.00 -1.26 -5.19 121.76 128.26 1x5i s ALA 15 Ca 0.77 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1x5i s ALA 15 Cb -0.08 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1x5i s ALA 15 CO 0.04 -0.97 0.22 -1.83 0.00 0.00 0.00 175.76 173.21 1x5i s GLU 16 N -3.27 1.72 -0.02 0.00 -1.05 -1.26 -5.17 118.70 109.65 1x5i s GLU 16 Ca 0.16 -2.00 -0.02 0.00 -0.15 0.00 0.00 54.97 52.96 1x5i s GLU 16 Cb -0.04 0.06 0.01 0.00 -0.44 0.00 0.00 34.13 33.72 1x5i s GLU 16 CO 0.10 -0.56 0.06 0.99 0.95 0.00 0.00 175.26 176.79 1x5i s THR 17 N -3.48 -0.01 -0.14 1.83 2.01 -1.26 -5.05 115.64 109.54 1x5i s THR 17 Ca 0.36 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 62.29 1x5i s THR 17 Cb 0.03 -0.10 -0.25 0.00 0.01 0.00 0.00 72.50 72.20 1x5i s THR 17 CO 0.22 0.02 0.37 2.19 -0.69 0.00 0.00 174.62 176.73 1x5i h PHE 18 N 6.33 0.37 -6.53 4.92 -0.00 -2.07 -3.47 116.94 116.49 1x5i h PHE 18 Ca -0.29 -0.27 -0.52 0.00 -0.00 0.00 0.00 57.97 56.89 1x5i h PHE 18 Cb 1.19 -0.01 -0.31 0.00 -0.00 0.00 0.00 35.95 36.82 1x5i h PHE 18 CO 0.42 1.68 -0.76 -1.91 -0.00 0.00 0.00 178.31 177.74 1x5i n GLU 19 N -3.79 -0.78 0.04 6.09 0.00 -1.26 -4.74 120.64 116.19 1x5i n GLU 19 Ca -0.31 0.11 0.11 0.00 0.00 0.00 0.00 57.16 57.08 1x5i n GLU 19 Cb 0.94 -3.82 -0.09 0.00 0.00 0.00 0.00 31.44 28.47 1x5i n GLU 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1x5i n SER 20 N -1.97 0.39 0.00 4.31 2.88 -1.26 -4.41 113.62 113.56 1x5i n SER 20 Ca 0.06 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1x5i n SER 20 Cb 0.40 1.28 0.00 0.00 -0.75 0.00 0.00 64.21 65.14 1x5i n SER 20 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1x5i n ASP 21 N -2.46 0.32 -4.58 -3.46 5.68 -1.26 -5.09 116.55 105.70 1x5i n ASP 21 Ca -0.02 -0.88 -0.29 0.00 -0.50 0.00 0.00 54.79 53.10 1x5i n ASP 21 Cb 0.56 0.06 0.21 0.00 -1.14 0.00 0.00 41.12 40.81 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1x5i s LEU 22 N -0.11 1.51 -0.62 -2.12 2.01 -1.26 -4.99 118.68 113.10 1x5i s LEU 22 Ca 0.00 1.62 -0.02 0.00 0.01 0.00 0.00 54.13 55.74 1x5i s LEU 22 Cb 0.00 -3.72 0.16 0.00 0.01 0.00 0.00 46.19 42.64 1x5i s LEU 22 CO 0.00 -3.66 0.43 -1.81 1.01 0.00 0.00 176.35 172.31 1x5i s ASP 23 N -2.77 5.09 -0.21 2.29 1.11 0.26 -4.87 116.67 117.56 1x5i s ASP 23 Ca 0.67 -2.94 0.14 0.00 0.18 0.00 0.00 52.55 50.60 1x5i s ASP 23 Cb -0.23 -1.82 0.49 0.00 1.07 0.00 0.00 42.92 42.44 1x5i s ASP 23 CO 0.61 -0.33 1.41 1.21 1.18 0.00 0.00 175.17 179.25 1x5i n GLU 24 N 3.34 2.32 0.00 8.23 2.13 -1.26 -1.86 120.64 133.53 1x5i n GLU 24 Ca 0.08 -2.94 0.11 0.00 0.66 0.00 0.00 57.16 55.07 1x5i n GLU 24 Cb 0.37 -1.79 0.01 0.00 0.27 0.00 0.00 31.44 30.29 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 -0.85 0.00 -4.00 6.31 -2.24 -1.26 -4.71 114.28 107.53 1x5i n THR 25 Ca 0.25 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1x5i n THR 25 Cb 0.92 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 70.19 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 -2.55 0.37 0.56 -0.78 1.70 -1.26 -5.06 118.95 111.93 1x5i s ARG 26 Ca 0.17 -0.65 -0.18 0.00 -0.47 0.00 0.00 55.73 54.61 1x5i s ARG 26 Cb 0.18 -0.01 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 1x5i s ARG 26 CO 0.61 -0.02 1.07 0.14 -1.08 0.00 0.00 175.30 176.02 1x5i s VAL 27 N -1.42 3.61 -0.10 4.99 -7.23 -1.26 -4.74 120.40 114.25 1x5i s VAL 27 Ca -0.14 0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 60.62 1x5i s VAL 27 Cb -0.10 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 1x5i s VAL 27 CO -0.01 -0.33 1.53 -2.16 -0.31 0.00 0.00 175.10 173.82 1x5i s PRO 28 N -3.64 4.17 0.89 4.82 0.04 -1.26 -4.96 135.00 135.07 1x5i s PRO 28 Ca 0.67 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.58 1x5i s PRO 28 Cb -0.18 -3.92 0.13 0.00 0.04 0.00 0.00 34.50 30.57 1x5i s PRO 28 CO 0.30 -0.83 1.09 -1.21 0.04 0.00 0.00 177.00 176.39 1x5i s GLU 29 N 3.90 1.27 0.04 4.56 2.02 -1.26 -4.21 118.70 125.03 1x5i s GLU 29 Ca 0.67 0.76 -0.27 0.00 0.02 0.00 0.00 54.97 56.16 1x5i s GLU 29 Cb -0.29 -1.82 -0.14 0.00 0.10 0.00 0.00 34.13 31.99 1x5i s GLU 29 CO 0.25 -2.22 0.67 1.55 0.02 0.00 0.00 175.26 175.53 1x5i n VAL 30 N -3.86 0.40 -1.15 2.63 3.14 -1.26 -4.79 118.33 113.45 1x5i n VAL 30 Ca 0.07 -0.10 -0.29 0.00 -2.96 0.00 0.00 64.34 61.06 1x5i n VAL 30 Cb 0.56 0.00 0.19 0.00 -1.06 0.00 0.00 33.84 33.53 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 -0.20 0.11 0.20 1.45 0.04 -1.26 -4.88 135.00 130.45 1x5i s PRO 31 Ca 0.61 0.41 -0.14 0.00 0.04 0.00 0.00 61.00 61.91 1x5i s PRO 31 Cb -0.86 -1.71 0.20 0.00 0.04 0.00 0.00 34.50 32.17 1x5i s PRO 31 CO 0.41 -2.92 1.64 1.03 0.04 0.00 0.00 177.00 177.21 1x5i h SER 32 N -2.03 -0.48 -1.67 6.66 0.87 -1.71 -3.47 113.55 111.73 1x5i h SER 32 Ca -0.54 0.16 0.22 0.00 -1.23 0.00 0.00 61.79 60.40 1x5i h SER 32 Cb 1.33 0.33 -0.04 0.00 -0.44 0.00 0.00 62.40 63.58 1x5i h SER 32 CO 0.55 -0.17 0.59 -0.24 -0.53 0.00 0.00 176.83 177.03 1x5i n SER 33 N -5.37 -0.95 -3.49 6.23 2.88 -1.26 -5.08 113.62 106.58 1x5i n SER 33 Ca 0.06 -1.29 -0.12 0.00 -1.33 0.00 0.00 58.87 56.19 1x5i n SER 33 Cb 0.30 1.49 -0.10 0.00 -0.75 0.00 0.00 64.21 65.14 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1x5i s LEU 34 N 0.00 -0.46 0.07 2.46 2.96 -1.26 -3.13 118.68 119.31 1x5i s LEU 34 Ca 0.20 0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.41 1x5i s LEU 34 Cb -0.01 0.92 -0.05 0.00 0.50 0.00 0.00 46.19 47.56 1x5i s LEU 34 CO 0.01 -0.28 0.28 -2.28 -1.32 0.00 0.00 176.35 172.76 1x5i s HIS 35 N 2.49 3.52 -0.00 5.38 5.65 0.34 -4.96 115.29 127.71 1x5i s HIS 35 Ca 0.07 0.46 -0.02 0.00 0.25 0.00 0.00 55.06 55.82 1x5i s HIS 35 Cb -0.14 -1.92 -0.00 0.00 -1.18 0.00 0.00 32.58 29.34 1x5i s HIS 35 CO -0.13 0.55 0.04 0.14 -0.65 0.00 0.00 174.74 174.68 1x5i s VAL 36 N -1.49 0.04 -0.24 0.89 -7.23 -1.26 -0.25 120.40 110.87 1x5i s VAL 36 Ca 0.34 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 60.15 1x5i s VAL 36 Cb -0.13 -0.17 0.07 0.00 0.56 0.00 0.00 36.38 36.71 1x5i s VAL 36 CO 0.23 -0.19 0.01 -0.60 -0.31 0.00 0.00 175.10 174.23 1x5i s ARG 37 N -0.59 1.13 0.06 4.82 6.06 -0.22 -4.98 118.95 125.23 1x5i s ARG 37 Ca -0.07 -0.84 -0.31 0.00 -2.50 0.00 0.00 55.73 52.01 1x5i s ARG 37 Cb -0.04 -2.35 -0.07 0.00 0.06 0.00 0.00 34.95 32.55 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 1.57 4.30 0.18 5.12 0.04 -1.26 -0.97 135.00 143.99 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 -0.18 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 1x5i s PRO 38 CO -0.10 -0.50 -0.22 -0.51 0.04 0.00 0.00 177.00 175.71 1x5i s LEU 39 N 1.74 2.43 0.00 -3.56 1.02 0.15 -4.49 118.68 115.97 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 -1.02 -0.00 0.00 0.02 0.00 0.00 46.19 44.84 1x5i s LEU 39 CO 0.29 0.06 0.58 0.52 0.02 0.00 0.00 176.35 177.82 1x5i n VAL 40 N 0.29 -0.00 -1.20 -1.59 0.31 -1.26 -2.15 118.33 112.72 1x5i n VAL 40 Ca -0.13 0.87 0.09 0.00 -0.01 0.00 0.00 64.34 65.16 1x5i n VAL 40 Cb 0.56 -1.16 0.16 0.00 -0.91 0.00 0.00 33.84 32.49 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 -2.60 1.98 -4.14 2.52 -2.24 -1.26 -3.39 114.28 105.15 1x5i n THR 41 Ca 0.00 -2.51 -0.17 0.00 -2.27 0.00 0.00 64.05 59.11 1x5i n THR 41 Cb 0.00 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.34 -1.19 -3.15 3.42 3.41 -0.92 -3.40 113.62 110.46 1x5i n SER 42 Ca 0.17 -3.05 0.04 0.00 -0.26 0.00 0.00 58.87 55.77 1x5i n SER 42 Cb 0.66 2.34 -0.01 0.00 -0.26 0.00 0.00 64.21 66.94 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 -3.01 -0.97 -0.77 -1.33 1.01 -0.82 0.32 121.20 115.64 1x5i s ILE 43 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.72 1x5i s ILE 43 Cb -0.00 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.50 1x5i s ILE 43 CO 0.24 0.00 1.50 -0.69 0.00 0.00 0.00 174.94 175.98 1x5i s VAL 44 N 2.85 3.65 -0.59 2.92 1.01 -0.14 -1.87 120.40 128.23 1x5i s VAL 44 Ca 0.16 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 1x5i s VAL 44 Cb -0.12 -4.64 0.07 0.00 0.00 0.00 0.00 36.38 31.68 1x5i s VAL 44 CO -0.23 -1.58 0.82 -0.69 0.00 0.00 0.00 175.10 173.42 1x5i s VAL 45 N 6.72 4.57 -0.17 2.92 1.01 -0.02 -1.06 120.40 134.37 1x5i s VAL 45 Ca 0.47 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1x5i s VAL 45 Cb -0.08 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 1x5i s VAL 45 CO 0.11 -1.16 -0.01 -0.55 0.00 0.00 0.00 175.10 173.49 1x5i s SER 46 N 3.25 4.92 0.46 3.32 0.15 0.65 0.12 113.70 126.57 1x5i s SER 46 Ca 0.20 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.75 1x5i s SER 46 Cb -0.18 -1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 62.30 1x5i s SER 46 CO 0.12 0.14 0.09 -2.67 1.20 0.00 0.00 173.24 172.11 1x5i n TRP 47 N 3.75 0.58 -4.04 3.44 2.14 0.76 0.13 117.44 124.20 1x5i n TRP 47 Ca -0.17 -2.65 -0.11 0.00 2.07 0.00 0.00 57.50 56.64 1x5i n TRP 47 Cb 0.52 -0.15 -0.11 0.00 -0.81 0.00 0.00 31.31 30.77 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 -3.03 0.35 0.72 -1.67 -4.23 -1.18 -4.70 115.64 101.90 1x5i s THR 48 Ca 0.12 -1.10 -0.13 0.00 -1.18 0.00 0.00 61.69 59.41 1x5i s THR 48 Cb 0.01 -0.57 0.03 0.00 1.34 0.00 0.00 72.50 73.31 1x5i s THR 48 CO 0.09 -0.49 1.10 -2.16 -0.54 0.00 0.00 174.62 172.62 1x5i s PRO 49 N -1.78 2.51 -0.14 3.99 0.04 -1.26 -4.09 135.00 134.26 1x5i s PRO 49 Ca -0.10 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.91 1x5i s PRO 49 Cb -0.08 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1x5i s PRO 49 CO -0.01 -1.46 1.55 -1.25 0.04 0.00 0.00 177.00 175.87 1x5i s PRO 50 N -4.54 4.05 0.52 0.56 0.04 -1.26 -3.75 135.00 130.62 1x5i s PRO 50 Ca 0.64 1.87 0.37 0.00 0.04 0.00 0.00 61.00 63.92 1x5i s PRO 50 Cb -0.19 -3.96 1.27 0.00 0.04 0.00 0.00 34.50 31.66 1x5i s PRO 50 CO 0.49 -0.99 1.32 0.39 0.04 0.00 0.00 177.00 178.25 1x5i n GLU 51 N 7.22 0.01 -2.74 4.56 -0.58 -1.26 -3.39 120.64 124.46 1x5i n GLU 51 Ca 0.17 0.96 -0.42 0.00 -0.42 0.00 0.00 57.16 57.45 1x5i n GLU 51 Cb 0.44 -2.29 -0.03 0.00 -0.57 0.00 0.00 31.44 29.00 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1x5i s ASN 52 N -3.68 6.50 0.29 1.62 3.84 -1.26 -4.82 114.94 117.42 1x5i s ASN 52 Ca -0.04 -1.58 0.08 0.00 0.21 0.00 0.00 52.86 51.54 1x5i s ASN 52 Cb 0.20 -2.48 0.42 0.00 -0.55 0.00 0.00 41.25 38.83 1x5i s ASN 52 CO 0.65 -1.34 1.66 1.56 -2.79 0.00 0.00 177.10 176.84 1x5i h GLN 53 N 9.40 0.14 -1.03 0.43 7.50 -1.98 -3.13 115.11 126.43 1x5i h GLN 53 Ca 0.10 -0.08 0.38 0.00 0.50 0.00 0.00 58.65 59.55 1x5i h GLN 53 Cb 1.02 0.01 -0.16 0.00 0.05 0.00 0.00 27.48 28.40 1x5i h GLN 53 CO 1.26 0.62 0.59 -0.91 -1.50 0.00 0.00 178.83 178.89 1x5i h ASN 54 N 0.11 0.40 -3.09 1.46 -0.26 -1.91 -3.36 115.58 108.93 1x5i h ASN 54 Ca 0.00 0.22 -0.57 0.00 -0.56 0.00 0.00 56.30 55.39 1x5i h ASN 54 Cb 0.94 0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 38.34 1x5i h ASN 54 CO 0.07 -0.28 0.90 -0.63 -1.06 0.00 0.00 177.43 176.43 1x5i s ILE 55 N -5.56 4.35 0.17 2.81 1.01 -1.19 -0.57 121.20 122.23 1x5i s ILE 55 Ca -0.09 1.59 -0.31 0.00 0.00 0.00 0.00 60.65 61.83 1x5i s ILE 55 Cb 0.32 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.52 1x5i s ILE 55 CO 0.79 -0.31 1.44 -0.69 0.00 0.00 0.00 174.94 176.17 1x5i s VAL 56 N 3.75 2.94 -0.04 2.92 1.01 -0.78 -4.95 120.40 125.25 1x5i s VAL 56 Ca 0.52 0.71 0.05 0.00 0.00 0.00 0.00 61.98 63.26 1x5i s VAL 56 Cb -0.17 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1x5i s VAL 56 CO 0.16 0.08 -0.21 -0.69 0.00 0.00 0.00 175.10 174.44 1x5i s VAL 57 N 0.71 1.67 -0.19 2.92 1.01 -1.26 -4.64 120.40 120.62 1x5i s VAL 57 Ca 0.64 -0.87 0.18 0.00 0.00 0.00 0.00 61.98 61.93 1x5i s VAL 57 Cb -0.40 -1.41 -0.25 0.00 0.00 0.00 0.00 36.38 34.32 1x5i s VAL 57 CO 0.35 0.47 0.09 0.54 0.00 0.00 0.00 175.10 176.55 1x5i n ARG 58 N 2.91 0.76 -3.29 2.72 5.12 -1.22 -4.79 116.66 118.87 1x5i n ARG 58 Ca -0.17 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 1x5i n ARG 58 Cb 0.53 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 1x5i n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x5i n GLY 59 N 1.75 -1.58 3.38 -0.13 0.00 -1.16 -2.97 105.19 104.48 1x5i n GLY 59 Ca -0.31 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.14 1.77 -0.08 1.61 2.02 -1.21 -2.69 117.35 116.63 1x5i s TYR 60 Ca 0.00 -0.77 0.02 0.00 -0.37 0.00 0.00 57.07 55.95 1x5i s TYR 60 Cb 0.00 -1.00 0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1x5i s TYR 60 CO 0.00 0.16 -0.13 0.00 -1.57 0.00 0.00 175.55 174.01 1x5i s ALA 61 N -3.17 1.42 -0.31 3.71 0.00 -0.89 -3.32 121.76 119.21 1x5i s ALA 61 Ca 0.28 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 1x5i s ALA 61 Cb 0.04 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1x5i s ALA 61 CO 0.10 0.04 0.06 0.42 0.00 0.00 0.00 175.76 176.38 1x5i s ILE 62 N 0.80 3.62 -0.20 0.00 1.01 0.72 -2.33 121.20 124.82 1x5i s ILE 62 Ca -0.11 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 1x5i s ILE 62 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1x5i s ILE 62 CO 0.02 -0.02 0.10 -0.83 0.00 0.00 0.00 174.94 174.21 1x5i s GLY 63 N 1.41 1.95 0.07 6.18 0.00 -0.18 -0.37 107.32 116.38 1x5i s GLY 63 Ca -0.00 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 43.96 1x5i s GLY 63 CO 0.01 0.19 -0.11 -2.52 0.00 0.00 0.00 173.10 170.66 1x5i s TYR 64 N 0.61 1.03 0.00 1.90 1.13 -1.21 -0.91 117.35 119.91 1x5i s TYR 64 Ca 0.05 -0.51 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 1x5i s TYR 64 Cb -0.12 -0.58 0.00 0.00 -1.10 0.00 0.00 41.96 40.15 1x5i s TYR 64 CO 0.01 0.01 0.00 0.41 -2.51 0.00 0.00 175.55 173.46 1x5i n GLY 65 N 1.18 3.07 3.58 5.49 0.00 -1.23 -3.19 105.19 114.08 1x5i n GLY 65 Ca -0.21 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1x5i n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5i s ILE 66 N -0.71 3.10 0.00 -0.61 1.01 -1.26 -2.45 121.20 120.28 1x5i s ILE 66 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1x5i s ILE 66 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1x5i s ILE 66 CO 0.00 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1x5i n GLY 67 N 5.80 3.15 3.20 6.18 0.00 -1.26 -5.00 105.19 117.25 1x5i n GLY 67 Ca 0.30 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.28 0.22 1.61 0.01 -1.03 -4.97 113.70 109.26 1x5i s SER 68 Ca 0.00 0.49 -0.02 0.00 1.31 0.00 0.00 55.95 57.73 1x5i s SER 68 Cb 0.00 0.55 0.20 0.00 0.21 0.00 0.00 66.02 66.98 1x5i s SER 68 CO 0.00 -0.17 1.58 1.55 0.41 0.00 0.00 173.24 176.60 1x5i h PRO 69 N 5.31 0.55 -0.85 12.44 0.13 -1.74 -3.10 132.00 144.74 1x5i h PRO 69 Ca -0.27 -0.29 0.25 0.00 -0.87 0.00 0.00 66.00 64.81 1x5i h PRO 69 Cb 1.19 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1x5i h PRO 69 CO 0.33 0.88 1.10 0.45 -0.23 0.00 0.00 178.00 180.53 1x5i h HIS 70 N 0.45 0.00 -0.79 1.56 3.86 -1.89 -1.99 115.15 116.35 1x5i h HIS 70 Ca 0.03 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.33 1x5i h HIS 70 Cb 0.94 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.31 1x5i h HIS 70 CO 0.04 0.00 -0.41 0.00 0.86 0.00 0.00 177.93 178.42 1x5i n ALA 71 N -2.18 -0.35 -2.68 2.45 0.00 -1.17 -4.68 120.51 111.90 1x5i n ALA 71 Ca 0.19 0.72 -0.10 0.00 0.00 0.00 0.00 53.44 54.25 1x5i n ALA 71 Cb 1.36 -0.20 -0.07 0.00 0.00 0.00 0.00 19.45 20.53 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 -5.53 1.26 -0.05 0.00 -1.52 -0.75 -5.03 119.66 108.04 1x5i s GLN 72 Ca -0.10 -1.32 0.00 0.00 -1.95 0.00 0.00 55.36 51.99 1x5i s GLN 72 Cb 0.12 0.37 0.02 0.00 -0.22 0.00 0.00 33.01 33.30 1x5i s GLN 72 CO 0.52 -0.46 -0.02 0.99 -0.25 0.00 0.00 175.29 176.06 1x5i s THR 73 N -4.03 0.41 -0.34 -0.19 2.01 -1.26 -3.32 115.64 108.91 1x5i s THR 73 Ca 0.24 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.19 1x5i s THR 73 Cb 0.03 -0.48 0.06 0.00 0.01 0.00 0.00 72.50 72.12 1x5i s THR 73 CO 0.05 0.21 0.10 -0.63 -0.69 0.00 0.00 174.62 173.66 1x5i s ILE 74 N 1.20 3.45 -0.08 1.82 1.01 0.51 -4.88 121.20 124.22 1x5i s ILE 74 Ca -0.07 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.19 1x5i s ILE 74 Cb -0.14 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1x5i s ILE 74 CO -0.02 -0.26 -0.07 -0.54 0.00 0.00 0.00 174.94 174.05 1x5i s LYS 75 N 1.31 2.92 0.00 2.79 1.02 -1.26 -0.20 119.74 126.32 1x5i s LYS 75 Ca -0.01 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1x5i s LYS 75 Cb -0.20 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 1x5i s LYS 75 CO 0.00 0.57 0.00 1.33 -0.92 0.00 0.00 175.35 176.34 1x5i n VAL 76 N 2.50 0.00 -3.89 3.17 0.24 -1.21 -5.04 118.33 114.10 1x5i n VAL 76 Ca -0.18 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.13 1x5i n VAL 76 Cb 0.53 -0.24 0.01 0.00 -1.47 0.00 0.00 33.84 32.67 1x5i n VAL 76 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1x5i n ASP 77 N -1.41 -0.70 0.13 -1.34 8.00 -1.26 -4.88 116.55 115.08 1x5i n ASP 77 Ca 0.00 -1.20 0.06 0.00 0.71 0.00 0.00 54.79 54.36 1x5i n ASP 77 Cb 0.00 1.10 0.03 0.00 -0.02 0.00 0.00 41.12 42.22 1x5i n ASP 77 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1x5i h TYR 78 N 1.54 0.00 -0.17 1.24 -0.00 -1.83 -3.20 116.97 114.54 1x5i h TYR 78 Ca -0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.51 1x5i h TYR 78 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.37 1x5i h TYR 78 CO 0.00 0.31 -0.29 0.87 -0.00 0.00 0.00 178.16 179.05 1x5i h LYS 79 N 0.00 0.50 -6.27 0.10 1.57 -1.95 -3.44 116.57 107.07 1x5i h LYS 79 Ca -0.04 -0.31 -0.67 0.00 -1.87 0.00 0.00 60.65 57.76 1x5i h LYS 79 Cb 1.27 0.03 0.04 0.00 0.08 0.00 0.00 32.23 33.65 1x5i h LYS 79 CO 0.03 0.91 0.77 1.04 -0.57 0.00 0.00 179.45 181.63 1x5i n GLN 80 N -4.38 1.51 -0.08 3.15 1.13 -1.25 -4.87 117.38 112.59 1x5i n GLN 80 Ca -0.06 0.55 -0.15 0.00 -1.94 0.00 0.00 57.00 55.40 1x5i n GLN 80 Cb 0.47 -2.26 -0.14 0.00 0.11 0.00 0.00 30.24 28.41 1x5i n GLN 80 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1x5i n ARG 81 N 4.31 0.68 -3.94 -1.09 0.63 -1.26 -4.92 116.66 111.07 1x5i n ARG 81 Ca 0.21 0.14 -0.08 0.00 -0.92 0.00 0.00 57.85 57.20 1x5i n ARG 81 Cb 0.21 -1.59 -0.08 0.00 0.45 0.00 0.00 32.46 31.45 1x5i n ARG 81 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1x5i s TYR 82 N -2.53 0.29 -0.02 -0.14 1.13 -1.26 -0.17 117.35 114.65 1x5i s TYR 82 Ca -0.21 -0.75 0.00 0.00 -1.41 0.00 0.00 57.07 54.71 1x5i s TYR 82 Cb 0.07 -0.16 0.02 0.00 -1.10 0.00 0.00 41.96 40.79 1x5i s TYR 82 CO 0.73 -0.51 0.01 -0.47 -2.51 0.00 0.00 175.55 172.81 1x5i s TYR 83 N -3.89 0.12 -0.42 -3.49 5.04 0.12 -4.96 117.35 109.87 1x5i s TYR 83 Ca 0.07 0.06 -0.20 0.00 -2.44 0.00 0.00 57.07 54.55 1x5i s TYR 83 Cb 0.06 -0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.15 1x5i s TYR 83 CO -0.10 -0.08 0.62 0.99 -1.34 0.00 0.00 175.55 175.65 1x5i s THR 84 N 0.77 4.86 -0.51 4.34 2.01 -1.26 -0.84 115.64 125.00 1x5i s THR 84 Ca -0.07 0.16 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 1x5i s THR 84 Cb -0.10 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.29 1x5i s THR 84 CO -0.02 -0.52 0.80 -0.63 -0.69 0.00 0.00 174.62 173.56 1x5i s ILE 85 N 2.74 4.61 0.45 1.82 1.01 -0.78 -4.91 121.20 126.12 1x5i s ILE 85 Ca 0.22 0.05 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1x5i s ILE 85 Cb -0.14 -4.41 0.01 0.00 0.01 0.00 0.00 42.46 37.93 1x5i s ILE 85 CO 0.18 -0.93 0.52 -1.61 0.00 0.00 0.00 174.94 173.10 1x5i s GLU 86 N 3.37 2.62 -0.34 2.79 2.02 -1.26 -1.94 118.70 125.97 1x5i s GLU 86 Ca 0.25 -1.45 -0.02 0.00 0.02 0.00 0.00 54.97 53.78 1x5i s GLU 86 Cb -0.15 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.52 1x5i s GLU 86 CO 0.17 -0.34 0.29 0.09 0.02 0.00 0.00 175.26 175.49 1x5i n ASN 87 N -1.79 -2.91 -4.48 -0.19 3.02 -1.23 -5.02 115.26 102.66 1x5i n ASN 87 Ca 0.07 -0.14 -0.25 0.00 -0.03 0.00 0.00 54.58 54.23 1x5i n ASN 87 Cb 0.61 -1.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.03 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 -2.68 2.63 -0.01 3.41 1.43 -1.22 -5.10 118.68 117.14 1x5i s LEU 88 Ca 0.12 -0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 52.09 1x5i s LEU 88 Cb -0.05 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 1x5i s LEU 88 CO 0.18 0.05 0.51 -0.62 0.23 0.00 0.00 176.35 176.71 1x5i s ASP 89 N -3.35 6.88 0.98 2.29 2.15 -1.26 -4.61 116.67 119.75 1x5i s ASP 89 Ca 0.28 1.05 -0.12 0.00 0.43 0.00 0.00 52.55 54.19 1x5i s ASP 89 Cb -0.06 -2.32 0.18 0.00 -0.30 0.00 0.00 42.92 40.43 1x5i s ASP 89 CO 0.15 0.18 1.09 -2.16 -0.17 0.00 0.00 175.17 174.25 1x5i s PRO 90 N -0.44 0.56 -1.35 4.34 0.04 -1.22 -4.05 135.00 132.88 1x5i s PRO 90 Ca 0.27 0.57 -0.09 0.00 0.04 0.00 0.00 61.00 61.80 1x5i s PRO 90 Cb -0.17 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1x5i s PRO 90 CO 0.15 -2.66 0.46 0.43 0.04 0.00 0.00 177.00 175.42 1x5i n SER 91 N -4.13 -1.57 -3.74 6.66 7.64 -0.17 -4.92 113.62 113.39 1x5i n SER 91 Ca 0.05 -1.09 -0.12 0.00 1.01 0.00 0.00 58.87 58.72 1x5i n SER 91 Cb 0.57 -2.71 -0.12 0.00 -1.01 0.00 0.00 64.21 60.94 1x5i n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5i s SER 92 N -4.09 -0.33 -0.03 6.43 0.01 -1.24 -4.95 113.70 109.50 1x5i s SER 92 Ca 0.16 0.62 -0.26 0.00 1.31 0.00 0.00 55.95 57.77 1x5i s SER 92 Cb -0.07 0.55 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 1x5i s SER 92 CO 0.91 -0.15 0.83 -2.28 0.41 0.00 0.00 173.24 172.96 1x5i s HIS 93 N 0.88 3.62 0.01 2.43 2.46 -1.26 -2.26 115.29 121.18 1x5i s HIS 93 Ca -0.06 1.46 0.07 0.00 0.47 0.00 0.00 55.06 57.00 1x5i s HIS 93 Cb -0.07 -2.94 -0.02 0.00 -0.13 0.00 0.00 32.58 29.42 1x5i s HIS 93 CO -0.06 0.06 -0.20 0.71 -2.47 0.00 0.00 174.74 172.77 1x5i s TYR 94 N 0.84 1.80 -0.37 3.88 1.51 -0.08 -4.54 117.35 120.39 1x5i s TYR 94 Ca 0.44 -0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 56.02 1x5i s TYR 94 Cb -0.19 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.55 1x5i s TYR 94 CO 0.23 0.03 0.24 0.08 -1.11 0.00 0.00 175.55 175.01 1x5i s VAL 95 N -0.63 4.95 -0.19 0.71 1.01 -1.22 -2.29 120.40 122.75 1x5i s VAL 95 Ca 0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1x5i s VAL 95 Cb -0.08 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1x5i s VAL 95 CO 0.00 -0.19 0.13 -0.63 0.00 0.00 0.00 175.10 174.41 1x5i s ILE 96 N 1.64 5.39 -0.10 2.22 1.09 -1.23 -3.53 121.20 126.68 1x5i s ILE 96 Ca 0.04 0.18 -0.01 0.00 -1.10 0.00 0.00 60.65 59.77 1x5i s ILE 96 Cb -0.19 -3.44 0.03 0.00 -1.06 0.00 0.00 42.46 37.80 1x5i s ILE 96 CO 0.09 0.47 -0.05 0.42 -0.10 0.00 0.00 174.94 175.76 1x5i s THR 97 N 0.16 0.81 -0.08 2.92 -4.23 -0.08 -1.63 115.64 113.50 1x5i s THR 97 Ca 0.09 -0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 1x5i s THR 97 Cb -0.11 -0.87 -0.03 0.00 1.34 0.00 0.00 72.50 72.83 1x5i s THR 97 CO -0.01 0.33 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.16 1x5i s LEU 98 N 1.76 3.47 0.01 4.79 2.96 -1.26 -1.01 118.68 129.40 1x5i s LEU 98 Ca 0.04 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1x5i s LEU 98 Cb -0.13 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 1x5i s LEU 98 CO -0.07 0.36 -0.00 -1.59 -1.32 0.00 0.00 176.35 173.73 1x5i s LYS 99 N -0.80 0.29 -0.18 1.98 -2.85 -0.98 -0.88 119.74 116.32 1x5i s LYS 99 Ca 0.12 -0.49 -0.13 0.00 -1.00 0.00 0.00 55.97 54.47 1x5i s LYS 99 Cb -0.11 0.11 -0.05 0.00 -2.06 0.00 0.00 37.83 35.72 1x5i s LYS 99 CO 0.02 -0.05 0.26 0.00 0.10 0.00 0.00 175.35 175.68 1x5i s ALA 100 N -1.25 3.61 -0.01 0.59 0.00 -1.26 -2.09 121.76 121.35 1x5i s ALA 100 Ca -0.14 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1x5i s ALA 100 Cb -0.08 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.68 1x5i s ALA 100 CO -0.01 0.03 -0.02 -0.59 0.00 0.00 0.00 175.76 175.17 1x5i s PHE 101 N 0.60 0.34 0.23 0.00 -0.71 -1.09 -0.58 117.98 116.77 1x5i s PHE 101 Ca 0.14 -0.05 0.01 0.00 -1.04 0.00 0.00 56.93 55.99 1x5i s PHE 101 Cb -0.13 -0.30 -0.00 0.00 -1.21 0.00 0.00 43.02 41.38 1x5i s PHE 101 CO 0.03 -0.06 0.04 0.27 -1.34 0.00 0.00 175.22 174.16 1x5i n ASN 102 N 3.42 1.89 0.22 1.98 6.94 0.24 -2.96 115.26 126.99 1x5i n ASN 102 Ca -0.18 -2.13 0.18 0.00 -0.02 0.00 0.00 54.58 52.43 1x5i n ASN 102 Cb 0.56 0.36 0.85 0.00 -2.36 0.00 0.00 39.78 39.18 1x5i n ASN 102 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1x5i h ASN 103 N 0.73 0.00 0.07 0.53 7.08 -1.95 -0.45 115.58 121.59 1x5i h ASN 103 Ca -0.19 0.00 -0.24 0.00 -3.08 0.00 0.00 56.30 52.79 1x5i h ASN 103 Cb 0.64 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.90 1x5i h ASN 103 CO 0.31 0.00 -1.00 0.58 -2.08 0.00 0.00 177.43 175.24 1x5i h VAL 104 N 0.00 1.34 0.00 6.14 2.07 -1.90 -3.50 116.25 120.40 1x5i h VAL 104 Ca 0.08 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1x5i h VAL 104 Cb 0.62 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1x5i h VAL 104 CO -0.00 0.70 0.00 0.61 0.02 0.00 0.00 177.57 178.90 1x5i n GLY 105 N 1.28 -0.57 3.94 2.17 0.00 -0.18 -4.92 105.19 106.91 1x5i n GLY 105 Ca -0.12 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.32 2.23 0.00 1.61 2.02 -1.26 0.81 118.70 122.79 1x5i s GLU 106 Ca 0.00 -2.00 0.00 0.00 0.02 0.00 0.00 54.97 52.99 1x5i s GLU 106 Cb 0.00 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.03 1x5i s GLU 106 CO 0.00 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 174.94 1x5i n GLY 107 N -1.92 5.34 3.43 -1.39 0.00 0.25 -4.63 105.19 106.26 1x5i n GLY 107 Ca 0.02 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 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 2.32 4.24 0.88 -0.61 -0.00 -1.26 -4.87 121.20 121.89 1x5i s ILE 108 Ca 0.00 -0.26 -0.11 0.00 -0.00 0.00 0.00 60.65 60.28 1x5i s ILE 108 Cb 0.00 -3.01 0.12 0.00 -0.00 0.00 0.00 42.46 39.57 1x5i s ILE 108 CO 0.00 0.30 1.09 -2.16 -0.00 0.00 0.00 174.94 174.17 1x5i s PRO 109 N 1.60 1.43 0.45 0.37 0.04 -1.26 -4.23 135.00 133.40 1x5i s PRO 109 Ca 0.06 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.02 1x5i s PRO 109 Cb -0.15 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.61 1x5i s PRO 109 CO 0.03 -2.14 0.36 1.28 0.04 0.00 0.00 177.00 176.57 1x5i n LEU 110 N -3.82 0.00 -3.75 -3.56 4.77 -0.06 -4.91 117.00 105.68 1x5i n LEU 110 Ca 0.07 -2.33 -0.22 0.00 -0.03 0.00 0.00 56.01 53.51 1x5i n LEU 110 Cb 0.55 -0.06 -0.18 0.00 -2.33 0.00 0.00 43.42 41.40 1x5i n LEU 110 CO 0.55 -0.54 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.39 1x5i s TYR 111 N -2.22 0.49 0.36 -1.77 1.51 -1.26 -4.18 117.35 110.28 1x5i s TYR 111 Ca 0.27 -0.05 0.03 0.00 -1.01 0.00 0.00 57.07 56.32 1x5i s TYR 111 Cb -0.02 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1x5i s TYR 111 CO 0.17 -0.28 0.12 -1.21 -1.11 0.00 0.00 175.55 173.24 1x5i s GLU 112 N 1.98 1.76 -0.02 -0.62 0.41 -0.65 -5.03 118.70 116.54 1x5i s GLU 112 Ca 0.04 -2.03 0.00 0.00 -0.41 0.00 0.00 54.97 52.58 1x5i s GLU 112 Cb -0.12 -0.53 0.02 0.00 -1.78 0.00 0.00 34.13 31.72 1x5i s GLU 112 CO -0.04 -0.39 0.01 -1.54 -0.49 0.00 0.00 175.26 172.80 1x5i s SER 113 N -3.51 0.18 -0.09 -0.19 1.04 -1.26 -3.55 113.70 106.32 1x5i s SER 113 Ca 0.30 -0.00 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 1x5i s SER 113 Cb 0.05 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.13 1x5i s SER 113 CO 0.15 -0.07 0.19 0.00 0.98 0.00 0.00 173.24 174.49 1x5i s ALA 114 N 0.64 -0.28 -0.37 5.32 0.00 -0.97 -4.94 121.76 121.16 1x5i s ALA 114 Ca -0.06 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 52.52 1x5i s ALA 114 Cb -0.08 -0.82 0.06 0.00 0.00 0.00 0.00 23.12 22.27 1x5i s ALA 114 CO -0.02 -0.53 0.15 0.08 0.00 0.00 0.00 175.76 175.45 1x5i s VAL 115 N 2.17 3.82 0.23 0.00 1.01 -1.26 -0.90 120.40 125.47 1x5i s VAL 115 Ca 0.01 -1.31 -0.32 0.00 0.00 0.00 0.00 61.98 60.36 1x5i s VAL 115 Cb -0.12 -3.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.88 1x5i s VAL 115 CO -0.07 -0.32 1.59 0.35 0.00 0.00 0.00 175.10 176.66 1x5i n THR 116 N 4.81 0.47 -1.69 3.92 -2.24 -0.96 -4.71 114.28 113.89 1x5i n THR 116 Ca -0.11 -0.12 -0.36 0.00 -2.27 0.00 0.00 64.05 61.20 1x5i n THR 116 Cb 0.44 -1.78 0.07 0.00 -2.10 0.00 0.00 70.33 66.96 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 0.33 2.49 -0.06 -0.78 0.52 -1.25 -1.00 118.95 119.19 1x5i s ARG 117 Ca 0.71 1.91 -0.30 0.00 -0.52 0.00 0.00 55.73 57.53 1x5i s ARG 117 Cb -0.57 -1.86 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 1x5i s ARG 117 CO 0.41 -1.61 1.50 -1.25 0.02 0.00 0.00 175.30 174.38 1x5i s PRO 118 N -3.56 4.22 0.40 3.54 0.04 -1.26 -2.82 135.00 135.55 1x5i s PRO 118 Ca 0.79 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 63.57 1x5i s PRO 118 Cb -0.33 -3.82 -0.11 0.00 0.04 0.00 0.00 34.50 30.28 1x5i s PRO 118 CO 0.40 -0.75 1.35 1.58 0.04 0.00 0.00 177.00 179.62 1x5i n HIS 119 N 6.54 2.45 -3.66 0.56 -0.00 -1.26 -4.95 115.22 114.89 1x5i n HIS 119 Ca 0.15 0.49 -0.20 0.00 0.46 0.00 0.00 57.72 58.63 1x5i n HIS 119 Cb 0.43 -2.43 -0.17 0.00 -0.12 0.00 0.00 29.99 27.70 1x5i n HIS 119 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1x5i s THR 120 N -1.15 -0.14 -0.87 3.57 -4.23 -1.26 -5.09 115.64 106.47 1x5i s THR 120 Ca 0.58 0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 61.35 1x5i s THR 120 Cb -0.51 -0.21 0.23 0.00 1.34 0.00 0.00 72.50 73.35 1x5i s THR 120 CO 0.60 0.14 0.81 -0.55 -0.54 0.00 0.00 174.62 175.09 1x5i s SER 121 N 2.19 6.72 -0.31 3.99 0.15 -1.26 -4.92 113.70 120.26 1x5i s SER 121 Ca 0.04 -2.93 0.01 0.00 0.70 0.00 0.00 55.95 53.77 1x5i s SER 121 Cb -0.12 -2.17 0.19 0.00 -1.71 0.00 0.00 66.02 62.21 1x5i s SER 121 CO -0.04 -0.48 0.74 -0.83 1.20 0.00 0.00 173.24 173.83 1x5i s GLY 122 N 1.77 -1.19 0.36 9.45 0.00 -1.26 -5.02 107.32 111.43 1x5i s GLY 122 Ca 0.21 1.26 0.15 0.00 0.00 0.00 0.00 44.72 46.34 1x5i s GLY 122 CO -0.08 3.84 1.77 -0.56 0.00 0.00 0.00 173.10 178.06 1x5i h PRO 123 N 7.54 0.00 -0.34 2.90 0.13 -1.94 -3.26 132.00 137.04 1x5i h PRO 123 Ca -0.03 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.17 1x5i h PRO 123 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1x5i h PRO 123 CO 0.06 0.41 -0.39 1.03 -0.23 0.00 0.00 178.00 178.89 1x5i h SER 124 N 0.00 -1.27 -3.20 1.44 0.87 -2.02 -3.40 113.55 105.97 1x5i h SER 124 Ca -0.00 0.20 -0.57 0.00 -1.23 0.00 0.00 61.79 60.18 1x5i h SER 124 Cb 0.81 0.56 -0.03 0.00 -0.44 0.00 0.00 62.40 63.29 1x5i h SER 124 CO 0.05 -0.36 -0.29 -0.44 -0.53 0.00 0.00 176.83 175.26 1x5i s SER 125 N -5.02 6.51 0.00 6.23 0.01 -1.23 -5.32 113.70 114.88 1x5i s SER 125 Ca -0.15 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1x5i s SER 125 Cb 0.12 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.24 1x5i s SER 125 CO 0.66 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.96