#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 -0.05 0.15 1.61 1.04 -1.26 -5.19 113.70 110.00 1x5i s SER 2 Ca 0.00 -0.34 -0.25 0.00 0.48 0.00 0.00 55.95 55.84 1x5i s SER 2 Cb 0.00 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.50 1x5i s SER 2 CO 0.00 -0.58 1.02 -0.94 0.98 0.00 0.00 173.24 173.72 1x5i s SER 3 N -3.29 -0.11 -0.23 7.02 1.04 -1.26 -5.15 113.70 111.72 1x5i s SER 3 Ca 0.20 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 56.08 1x5i s SER 3 Cb 0.01 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 1x5i s SER 3 CO 0.00 -0.87 0.09 -0.83 0.98 0.00 0.00 173.24 172.62 1x5i s GLY 4 N -3.09 1.86 -0.06 7.32 0.00 -1.26 -5.06 107.32 107.03 1x5i s GLY 4 Ca 0.15 -0.97 -0.31 0.00 0.00 0.00 0.00 44.72 43.59 1x5i s GLY 4 CO 0.03 0.37 1.09 -0.45 0.00 0.00 0.00 173.10 174.14 1x5i s SER 5 N 1.16 -0.20 -0.06 1.64 0.15 -1.26 -5.19 113.70 109.94 1x5i s SER 5 Ca 0.05 -0.07 -0.31 0.00 0.70 0.00 0.00 55.95 56.32 1x5i s SER 5 Cb -0.14 0.26 0.11 0.00 -1.71 0.00 0.00 66.02 64.55 1x5i s SER 5 CO 0.04 -0.45 1.09 -0.55 1.20 0.00 0.00 173.24 174.57 1x5i s SER 6 N -2.49 -0.20 -0.09 5.45 0.15 -1.26 -5.17 113.70 110.10 1x5i s SER 6 Ca 0.09 -0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.63 1x5i s SER 6 Cb -0.00 0.26 0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1x5i s SER 6 CO -0.05 -0.45 0.18 -0.83 1.20 0.00 0.00 173.24 173.29 1x5i s GLY 7 N -2.50 0.01 0.70 9.45 0.00 -1.26 -5.16 107.32 108.56 1x5i s GLY 7 Ca 0.09 0.65 -0.12 0.00 0.00 0.00 0.00 44.72 45.35 1x5i s GLY 7 CO -0.05 1.68 0.62 -1.55 0.00 0.00 0.00 173.10 173.80 1x5i n PRO 8 N 5.22 -2.23 -3.77 2.90 -0.04 -1.26 -5.07 135.00 130.75 1x5i n PRO 8 Ca -0.07 -1.00 -0.21 0.00 -0.04 0.00 0.00 63.50 62.19 1x5i n PRO 8 Cb 0.50 -0.93 -0.03 0.00 -0.04 0.00 0.00 33.50 33.00 1x5i n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5i s ALA 9 N -3.00 3.93 -0.09 0.55 0.00 -1.26 -5.12 121.76 116.75 1x5i s ALA 9 Ca 0.40 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1x5i s ALA 9 Cb -0.04 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.73 1x5i s ALA 9 CO 0.31 0.05 -0.09 0.95 0.00 0.00 0.00 175.76 176.98 1x5i s THR 10 N -2.22 1.04 0.21 0.00 -4.23 -1.26 -5.13 115.64 104.04 1x5i s THR 10 Ca 0.40 -0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 60.42 1x5i s THR 10 Cb -0.07 -1.02 0.01 0.00 1.34 0.00 0.00 72.50 72.76 1x5i s THR 10 CO 0.28 0.36 0.48 -1.81 -0.54 0.00 0.00 174.62 173.39 1x5i s ASP 11 N 1.33 -0.17 -0.49 3.99 1.01 -1.26 -5.06 116.67 116.02 1x5i s ASP 11 Ca -0.02 -0.66 0.03 0.00 0.71 0.00 0.00 52.55 52.61 1x5i s ASP 11 Cb -0.14 0.57 0.44 0.00 1.01 0.00 0.00 42.92 44.80 1x5i s ASP 11 CO -0.04 -1.06 1.56 0.79 0.21 0.00 0.00 175.17 176.62 1x5i n TRP 12 N -0.34 3.02 -4.28 4.23 8.01 -1.26 -4.91 117.44 121.92 1x5i n TRP 12 Ca -0.07 -2.62 -0.37 0.00 -1.31 0.00 0.00 57.50 53.13 1x5i n TRP 12 Cb 0.62 -0.78 -0.04 0.00 -2.01 0.00 0.00 31.31 29.10 1x5i n TRP 12 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1x5i n LEU 13 N -0.74 -1.52 -3.58 -0.99 4.32 -1.26 -4.91 117.00 108.31 1x5i n LEU 13 Ca 0.51 -1.08 -0.14 0.00 -0.02 0.00 0.00 56.01 55.28 1x5i n LEU 13 Cb 0.75 -1.97 -0.06 0.00 -1.62 0.00 0.00 43.42 40.52 1x5i n LEU 13 CO 0.54 0.27 0.53 -0.55 -1.22 0.00 0.00 177.39 176.97 1x5i s SER 14 N -3.43 -0.61 -0.30 -1.43 0.15 -1.26 -5.16 113.70 101.66 1x5i s SER 14 Ca 0.66 0.94 -0.17 0.00 0.70 0.00 0.00 55.95 58.08 1x5i s SER 14 Cb -0.37 0.87 0.18 0.00 -1.71 0.00 0.00 66.02 64.99 1x5i s SER 14 CO 0.95 -0.37 1.14 0.00 1.20 0.00 0.00 173.24 176.16 1x5i s ALA 15 N -0.42 -3.03 -0.30 5.45 0.00 -1.26 -5.07 121.76 117.13 1x5i s ALA 15 Ca -0.04 1.89 -0.11 0.00 0.00 0.00 0.00 51.96 53.70 1x5i s ALA 15 Cb -0.03 -2.20 0.13 0.00 0.00 0.00 0.00 23.12 21.03 1x5i s ALA 15 CO 0.03 -0.99 0.68 -2.00 0.00 0.00 0.00 175.76 173.48 1x5i s GLU 16 N 2.28 0.57 -0.30 0.00 2.12 -1.26 -5.04 118.70 117.06 1x5i s GLU 16 Ca -0.01 1.39 0.07 0.00 0.36 0.00 0.00 54.97 56.78 1x5i s GLU 16 Cb -0.04 0.79 0.46 0.00 0.26 0.00 0.00 34.13 35.60 1x5i s GLU 16 CO -0.16 -0.19 1.26 0.25 -0.54 0.00 0.00 175.26 175.88 1x5i n THR 17 N 5.33 2.56 -3.65 -1.70 -2.24 -1.26 -4.97 114.28 108.35 1x5i n THR 17 Ca -0.12 -3.94 -0.04 0.00 -2.27 0.00 0.00 64.05 57.68 1x5i n THR 17 Cb 0.50 -0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 67.69 1x5i n THR 17 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1x5i s PHE 18 N -3.55 -1.19 0.19 4.78 -0.71 -1.26 -5.17 117.98 111.07 1x5i s PHE 18 Ca 0.50 2.14 0.02 0.00 -1.04 0.00 0.00 56.93 58.55 1x5i s PHE 18 Cb 0.41 0.68 -0.04 0.00 -1.21 0.00 0.00 43.02 42.87 1x5i s PHE 18 CO 0.02 -0.60 0.33 -2.00 -1.34 0.00 0.00 175.22 171.63 1x5i s GLU 19 N 2.58 3.46 0.21 1.99 2.56 -1.26 -5.01 118.70 123.23 1x5i s GLU 19 Ca -0.06 -0.57 -0.08 0.00 0.00 0.00 0.00 54.97 54.26 1x5i s GLU 19 Cb -0.11 -2.91 0.16 0.00 2.00 0.00 0.00 34.13 33.27 1x5i s GLU 19 CO -0.18 0.46 1.78 0.66 -0.56 0.00 0.00 175.26 177.41 1x5i h SER 20 N 1.82 1.11 -1.00 -1.70 4.64 -2.02 -2.84 113.55 113.57 1x5i h SER 20 Ca -0.49 -0.18 0.36 0.00 -0.47 0.00 0.00 61.79 61.01 1x5i h SER 20 Cb 1.20 -0.29 -0.18 0.00 -0.31 0.00 0.00 62.40 62.83 1x5i h SER 20 CO 0.66 0.98 0.37 0.44 -0.87 0.00 0.00 176.83 178.42 1x5i h ASP 21 N 1.16 0.06 -1.10 4.97 3.32 -1.98 -3.42 116.42 119.43 1x5i h ASP 21 Ca 0.26 0.26 -0.49 0.00 0.02 0.00 0.00 57.03 57.09 1x5i h ASP 21 Cb 0.23 0.34 0.11 0.00 0.22 0.00 0.00 39.33 40.22 1x5i h ASP 21 CO -0.02 -0.40 -0.62 0.18 -1.72 0.00 0.00 179.24 176.67 1x5i n LEU 22 N -5.33 -1.77 -4.59 1.55 4.77 -1.07 -4.84 117.00 105.72 1x5i n LEU 22 Ca 0.33 0.71 -0.42 0.00 -0.03 0.00 0.00 56.01 56.60 1x5i n LEU 22 Cb 1.09 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1x5i n LEU 22 CO -0.01 -2.90 0.45 -1.81 -1.33 0.00 0.00 177.39 171.78 1x5i s ASP 23 N -0.77 6.50 -0.23 -1.43 1.01 0.15 -4.91 116.67 116.99 1x5i s ASP 23 Ca 0.47 0.33 0.11 0.00 0.71 0.00 0.00 52.55 54.18 1x5i s ASP 23 Cb -0.57 -2.35 0.44 0.00 1.01 0.00 0.00 42.92 41.44 1x5i s ASP 23 CO 0.47 -0.59 1.29 1.21 0.21 0.00 0.00 175.17 177.76 1x5i n GLU 24 N 6.09 1.67 -0.00 8.23 2.13 -1.26 -2.74 120.64 134.75 1x5i n GLU 24 Ca 0.00 -3.22 0.08 0.00 0.66 0.00 0.00 57.16 54.68 1x5i n GLU 24 Cb 0.49 -1.67 -0.09 0.00 0.27 0.00 0.00 31.44 30.43 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 -1.13 0.00 -4.53 6.31 -2.24 -1.26 -4.70 114.28 106.73 1x5i n THR 25 Ca 0.23 -0.11 -0.25 0.00 -2.27 0.00 0.00 64.05 61.65 1x5i n THR 25 Cb 0.79 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.91 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 -2.56 1.80 -0.00 -0.78 1.70 -1.26 -5.01 118.95 112.83 1x5i s ARG 26 Ca 0.06 -2.02 -0.03 0.00 -0.47 0.00 0.00 55.73 53.27 1x5i s ARG 26 Cb 0.12 -1.19 -0.04 0.00 -0.57 0.00 0.00 34.95 33.27 1x5i s ARG 26 CO 0.68 -0.15 0.20 0.14 -1.08 0.00 0.00 175.30 175.09 1x5i s VAL 27 N -3.05 5.41 -0.55 4.99 -7.23 -1.26 -4.71 120.40 114.00 1x5i s VAL 27 Ca 0.35 -0.10 -0.27 0.00 -1.81 0.00 0.00 61.98 60.14 1x5i s VAL 27 Cb 0.09 -3.55 -0.02 0.00 0.56 0.00 0.00 36.38 33.46 1x5i s VAL 27 CO 0.16 0.33 1.83 -2.16 -0.31 0.00 0.00 175.10 174.94 1x5i s PRO 28 N -1.93 2.79 1.15 4.82 0.04 -1.26 -4.91 135.00 135.71 1x5i s PRO 28 Ca 0.28 0.76 -0.15 0.00 0.04 0.00 0.00 61.00 61.93 1x5i s PRO 28 Cb -0.13 -4.34 0.22 0.00 0.04 0.00 0.00 34.50 30.30 1x5i s PRO 28 CO 0.18 -2.53 0.64 -0.85 0.04 0.00 0.00 177.00 174.49 1x5i n GLU 29 N 9.00 -2.13 -0.99 4.56 -0.00 -1.26 -4.16 120.64 125.65 1x5i n GLU 29 Ca 0.21 -0.60 -0.35 0.00 -0.00 0.00 0.00 57.16 56.42 1x5i n GLU 29 Cb 0.51 -2.00 -0.03 0.00 -0.00 0.00 0.00 31.44 29.93 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1x5i n VAL 30 N -4.77 1.23 -1.13 3.84 3.14 -1.26 -4.76 118.33 114.64 1x5i n VAL 30 Ca 0.02 -0.31 -0.29 0.00 -2.96 0.00 0.00 64.34 60.80 1x5i n VAL 30 Cb 0.57 0.00 0.21 0.00 -1.06 0.00 0.00 33.84 33.55 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 -0.62 -0.34 0.22 1.45 0.04 -1.26 -4.87 135.00 129.63 1x5i s PRO 31 Ca 0.47 0.25 -0.08 0.00 0.04 0.00 0.00 61.00 61.69 1x5i s PRO 31 Cb -0.68 -1.67 0.32 0.00 0.04 0.00 0.00 34.50 32.51 1x5i s PRO 31 CO 0.39 -3.19 1.75 0.77 0.04 0.00 0.00 177.00 176.77 1x5i h SER 32 N -2.21 0.30 -1.85 6.66 0.02 -1.71 -3.47 113.55 111.28 1x5i h SER 32 Ca -0.51 0.08 0.24 0.00 -0.84 0.00 0.00 61.79 60.76 1x5i h SER 32 Cb 1.32 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.86 1x5i h SER 32 CO 0.48 0.16 0.66 -1.20 -1.14 0.00 0.00 176.83 175.79 1x5i n SER 33 N -4.96 -1.07 -3.52 3.07 7.64 -1.26 -5.01 113.62 108.50 1x5i n SER 33 Ca 0.10 -1.34 -0.07 0.00 1.01 0.00 0.00 58.87 58.57 1x5i n SER 33 Cb 0.30 1.69 -0.08 0.00 -1.01 0.00 0.00 64.21 65.11 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 -0.75 0.04 -3.43 2.96 -1.26 -3.44 118.68 112.81 1x5i s LEU 34 Ca 0.23 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 1x5i s LEU 34 Cb -0.01 1.43 -0.04 0.00 0.50 0.00 0.00 46.19 48.07 1x5i s LEU 34 CO 0.01 -0.25 0.13 -2.28 -1.32 0.00 0.00 176.35 172.64 1x5i s HIS 35 N 2.64 3.36 -0.00 5.38 5.65 0.13 -4.97 115.29 127.47 1x5i s HIS 35 Ca 0.04 0.20 0.00 0.00 0.25 0.00 0.00 55.06 55.55 1x5i s HIS 35 Cb -0.13 -1.72 0.00 0.00 -1.18 0.00 0.00 32.58 29.55 1x5i s HIS 35 CO -0.15 0.57 0.00 0.14 -0.65 0.00 0.00 174.74 174.65 1x5i s VAL 36 N -1.37 -0.00 -0.24 0.89 -7.23 -1.26 -0.90 120.40 110.29 1x5i s VAL 36 Ca 0.29 0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 1x5i s VAL 36 Cb -0.12 -0.02 0.06 0.00 0.56 0.00 0.00 36.38 36.86 1x5i s VAL 36 CO 0.22 0.01 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.36 1x5i s ARG 37 N 0.08 1.63 0.09 4.82 3.52 -0.38 -4.96 118.95 123.75 1x5i s ARG 37 Ca -0.01 -1.02 -0.31 0.00 -0.13 0.00 0.00 55.73 54.27 1x5i s ARG 37 Cb -0.01 -2.60 -0.07 0.00 -1.56 0.00 0.00 34.95 30.70 1x5i s ARG 37 CO -0.00 -0.61 1.38 -1.25 -0.81 0.00 0.00 175.30 174.01 1x5i s PRO 38 N 1.38 4.32 0.19 5.12 0.04 -1.26 -0.97 135.00 143.82 1x5i s PRO 38 Ca -0.05 2.04 0.11 0.00 0.04 0.00 0.00 61.00 63.14 1x5i s PRO 38 Cb -0.19 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1x5i s PRO 38 CO -0.06 -0.45 -0.24 -0.51 0.04 0.00 0.00 177.00 175.78 1x5i s LEU 39 N 1.31 2.43 0.01 -3.56 1.02 0.16 -4.57 118.68 115.48 1x5i s LEU 39 Ca 0.64 -0.86 -0.01 0.00 0.02 0.00 0.00 54.13 53.92 1x5i s LEU 39 Cb -0.36 -1.14 -0.00 0.00 0.02 0.00 0.00 46.19 44.71 1x5i s LEU 39 CO 0.30 0.11 0.55 0.52 0.02 0.00 0.00 176.35 177.84 1x5i n VAL 40 N 0.28 -0.02 -1.25 -1.59 0.31 -1.26 -2.09 118.33 112.71 1x5i n VAL 40 Ca -0.13 0.83 0.09 0.00 -0.01 0.00 0.00 64.34 65.12 1x5i n VAL 40 Cb 0.56 -1.10 0.15 0.00 -0.91 0.00 0.00 33.84 32.55 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 -2.66 1.88 -4.12 2.52 -2.24 -1.26 -3.93 114.28 104.47 1x5i n THR 41 Ca 0.00 -2.42 -0.16 0.00 -2.27 0.00 0.00 64.05 59.20 1x5i n THR 41 Cb 0.01 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.29 -1.11 -3.21 3.42 3.41 -0.89 -2.86 113.62 111.09 1x5i n SER 42 Ca 0.16 -2.93 -0.00 0.00 -0.26 0.00 0.00 58.87 55.83 1x5i n SER 42 Cb 0.66 2.18 -0.03 0.00 -0.26 0.00 0.00 64.21 66.76 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 -2.97 -0.87 -0.79 -1.33 1.01 0.14 0.35 121.20 116.74 1x5i s ILE 43 Ca 0.32 -0.05 -0.26 0.00 0.00 0.00 0.00 60.65 60.65 1x5i s ILE 43 Cb 0.00 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.54 1x5i s ILE 43 CO 0.23 -0.06 1.38 -0.69 0.00 0.00 0.00 174.94 175.79 1x5i s VAL 44 N 2.75 3.72 -0.62 2.92 1.01 -0.15 -0.95 120.40 129.09 1x5i s VAL 44 Ca 0.15 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 1x5i s VAL 44 Cb -0.14 -4.85 0.08 0.00 0.00 0.00 0.00 36.38 31.47 1x5i s VAL 44 CO -0.22 -1.78 0.85 -0.69 0.00 0.00 0.00 175.10 173.27 1x5i s VAL 45 N 5.96 4.53 -0.20 2.92 1.01 0.13 -1.25 120.40 133.51 1x5i s VAL 45 Ca 0.41 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 1x5i s VAL 45 Cb -0.07 -4.58 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 1x5i s VAL 45 CO 0.10 -1.28 0.03 -0.55 0.00 0.00 0.00 175.10 173.40 1x5i s SER 46 N 3.53 5.17 0.24 3.32 0.15 -0.08 -0.05 113.70 125.98 1x5i s SER 46 Ca 0.19 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.75 1x5i s SER 46 Cb -0.19 -1.89 -0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1x5i s SER 46 CO 0.10 0.10 0.03 -2.67 1.20 0.00 0.00 173.24 172.00 1x5i n TRP 47 N 4.03 0.37 -3.95 3.44 2.14 -0.80 0.19 117.44 122.86 1x5i n TRP 47 Ca -0.17 -1.33 -0.08 0.00 2.07 0.00 0.00 57.50 57.99 1x5i n TRP 47 Cb 0.52 -0.10 -0.09 0.00 -0.81 0.00 0.00 31.31 30.83 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 -2.13 0.17 0.93 -1.67 -4.23 -1.22 -4.75 115.64 102.74 1x5i s THR 48 Ca 0.05 -1.36 -0.12 0.00 -1.18 0.00 0.00 61.69 59.07 1x5i s THR 48 Cb 0.00 -1.28 0.15 0.00 1.34 0.00 0.00 72.50 72.71 1x5i s THR 48 CO 0.03 -0.75 1.09 -2.16 -0.54 0.00 0.00 174.62 172.29 1x5i s PRO 49 N -3.54 0.96 0.20 3.99 0.04 -1.26 -4.21 135.00 131.18 1x5i s PRO 49 Ca 0.03 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1x5i s PRO 49 Cb 0.04 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 1x5i s PRO 49 CO -0.09 -2.42 1.31 -1.25 0.04 0.00 0.00 177.00 174.59 1x5i s PRO 50 N -4.94 4.39 0.50 0.56 0.04 -1.26 -3.14 135.00 131.15 1x5i s PRO 50 Ca 0.64 2.05 0.44 0.00 0.04 0.00 0.00 61.00 64.17 1x5i s PRO 50 Cb -0.18 -3.20 1.57 0.00 0.04 0.00 0.00 34.50 32.73 1x5i s PRO 50 CO 0.57 -0.25 1.44 0.39 0.04 0.00 0.00 177.00 179.19 1x5i n GLU 51 N 2.64 -0.01 -3.36 4.56 1.02 -1.26 -4.30 120.64 119.94 1x5i n GLU 51 Ca 0.06 1.03 -0.22 0.00 -0.02 0.00 0.00 57.16 58.00 1x5i n GLU 51 Cb 0.43 -2.31 -0.00 0.00 -0.02 0.00 0.00 31.44 29.54 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1x5i s ASN 52 N -3.94 6.10 0.00 1.62 3.84 -1.26 -5.03 114.94 116.26 1x5i s ASN 52 Ca -0.05 0.23 0.00 0.00 0.21 0.00 0.00 52.86 53.25 1x5i s ASN 52 Cb 0.25 -1.72 0.00 0.00 -0.55 0.00 0.00 41.25 39.24 1x5i s ASN 52 CO 0.81 -0.41 0.00 0.00 -2.79 0.00 0.00 177.10 174.71 1x5i n GLN 53 N -1.80 0.00 -0.53 0.43 1.13 -1.26 -4.73 117.38 110.63 1x5i n GLN 53 Ca -0.03 0.00 0.41 0.00 -1.94 0.00 0.00 57.00 55.45 1x5i n GLN 53 Cb 0.57 -0.74 0.63 0.00 0.11 0.00 0.00 30.24 30.82 1x5i n GLN 53 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1x5i n ASN 54 N -2.41 0.00 -4.74 1.08 2.04 -1.26 -4.24 115.26 105.73 1x5i n ASN 54 Ca 0.00 0.80 -0.41 0.00 -0.44 0.00 0.00 54.58 54.53 1x5i n ASN 54 Cb 0.37 -0.38 -0.05 0.00 -2.53 0.00 0.00 39.78 37.19 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1x5i s ILE 55 N -4.47 4.02 0.02 1.53 1.01 -1.26 0.31 121.20 122.36 1x5i s ILE 55 Ca -0.04 1.85 -0.30 0.00 0.00 0.00 0.00 60.65 62.16 1x5i s ILE 55 Cb 0.21 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1x5i s ILE 55 CO 0.69 0.37 1.05 -0.69 0.00 0.00 0.00 174.94 176.35 1x5i s VAL 56 N -0.62 4.60 -0.11 2.92 1.01 -1.11 -4.93 120.40 122.17 1x5i s VAL 56 Ca 0.45 1.88 0.02 0.00 0.00 0.00 0.00 61.98 64.33 1x5i s VAL 56 Cb -0.27 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 31.92 1x5i s VAL 56 CO 0.34 0.15 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 1x5i s VAL 57 N 1.00 1.59 -0.21 2.92 1.01 -1.26 -4.53 120.40 120.92 1x5i s VAL 57 Ca 0.54 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1x5i s VAL 57 Cb -0.24 -1.44 -0.20 0.00 0.00 0.00 0.00 36.38 34.50 1x5i s VAL 57 CO 0.28 0.46 -0.01 0.54 0.00 0.00 0.00 175.10 176.37 1x5i n ARG 58 N 4.13 0.69 -3.02 2.72 5.12 -1.13 -4.76 116.66 120.40 1x5i n ARG 58 Ca -0.19 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1x5i n ARG 58 Cb 0.51 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 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 2.14 -0.61 3.16 -0.13 0.00 -1.13 -2.02 105.19 106.61 1x5i n GLY 59 Ca -0.40 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.00 0.02 -0.21 1.61 2.02 -1.06 -2.51 117.35 114.22 1x5i s TYR 60 Ca 0.00 -0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1x5i s TYR 60 Cb 0.00 -0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.50 1x5i s TYR 60 CO 0.00 -0.37 0.06 0.00 -1.57 0.00 0.00 175.55 173.67 1x5i s ALA 61 N -1.99 3.25 -0.29 3.71 0.00 -0.58 -3.10 121.76 122.77 1x5i s ALA 61 Ca -0.10 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 1x5i s ALA 61 Cb -0.04 -1.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 1x5i s ALA 61 CO -0.01 -0.16 0.09 0.42 0.00 0.00 0.00 175.76 176.11 1x5i s ILE 62 N 1.00 4.21 -0.13 0.00 1.01 0.56 -2.83 121.20 125.02 1x5i s ILE 62 Ca 0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 1x5i s ILE 62 Cb -0.14 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 1x5i s ILE 62 CO 0.03 0.15 -0.13 -0.83 0.00 0.00 0.00 174.94 174.16 1x5i s GLY 63 N 1.56 1.54 0.15 6.18 0.00 -1.07 -0.26 107.32 115.42 1x5i s GLY 63 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1x5i s GLY 63 CO 0.04 -0.16 0.01 -2.52 0.00 0.00 0.00 173.10 170.47 1x5i s TYR 64 N 0.41 1.07 0.00 1.90 1.13 -0.92 -0.73 117.35 120.21 1x5i s TYR 64 Ca -0.10 -1.06 0.00 0.00 -1.41 0.00 0.00 57.07 54.50 1x5i s TYR 64 Cb -0.16 -0.62 0.00 0.00 -1.10 0.00 0.00 41.96 40.09 1x5i s TYR 64 CO 0.05 -0.28 0.00 0.41 -2.51 0.00 0.00 175.55 173.22 1x5i n GLY 65 N -0.18 3.56 3.63 5.49 0.00 -1.25 -2.32 105.19 114.12 1x5i n GLY 65 Ca -0.07 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.00 3.93 0.00 -0.61 -1.09 -1.26 -2.16 121.20 118.01 1x5i s ILE 66 Ca 0.00 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1x5i s ILE 66 Cb 0.00 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1x5i s ILE 66 CO 0.00 -0.44 0.00 0.61 -1.23 0.00 0.00 174.94 173.88 1x5i n GLY 67 N 4.57 2.25 2.98 6.18 0.00 -1.26 -4.91 105.19 114.99 1x5i n GLY 67 Ca 0.17 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.55 0.29 1.61 0.01 -1.25 -4.86 113.70 110.05 1x5i s SER 68 Ca 0.00 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.05 1x5i s SER 68 Cb 0.00 -0.00 0.43 0.00 0.21 0.00 0.00 66.02 66.66 1x5i s SER 68 CO 0.00 -0.08 1.68 1.55 0.41 0.00 0.00 173.24 176.79 1x5i h PRO 69 N 5.36 0.20 -1.17 12.44 0.13 -1.78 -3.21 132.00 143.97 1x5i h PRO 69 Ca -0.30 -0.10 0.40 0.00 -0.87 0.00 0.00 66.00 65.12 1x5i h PRO 69 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1x5i h PRO 69 CO 0.46 0.62 0.76 0.72 -0.23 0.00 0.00 178.00 180.33 1x5i n HIS 70 N -3.98 0.53 -0.33 1.56 8.25 -1.26 -0.88 115.22 119.11 1x5i n HIS 70 Ca -0.02 0.53 -0.09 0.00 -0.26 0.00 0.00 57.72 57.89 1x5i n HIS 70 Cb 0.51 -0.95 -0.08 0.00 1.12 0.00 0.00 29.99 30.60 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 -2.56 -0.50 -2.72 -1.41 0.00 -1.21 -4.56 120.51 107.55 1x5i n ALA 71 Ca 0.33 0.67 -0.13 0.00 0.00 0.00 0.00 53.44 54.31 1x5i n ALA 71 Cb 1.31 -0.09 -0.11 0.00 0.00 0.00 0.00 19.45 20.55 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 -5.31 0.63 -0.05 0.00 1.11 -0.05 -5.03 119.66 110.95 1x5i s GLN 72 Ca -0.09 -0.89 -0.03 0.00 0.01 0.00 0.00 55.36 54.36 1x5i s GLN 72 Cb 0.09 -0.36 0.02 0.00 -1.01 0.00 0.00 33.01 31.75 1x5i s GLN 72 CO 0.49 0.06 0.11 0.99 0.01 0.00 0.00 175.29 176.95 1x5i s THR 73 N -1.74 -0.02 -0.04 -0.19 2.01 -1.26 -2.17 115.64 112.22 1x5i s THR 73 Ca -0.05 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.09 1x5i s THR 73 Cb -0.07 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 1x5i s THR 73 CO -0.00 0.03 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.11 1x5i s ILE 74 N 0.55 1.83 -0.14 1.82 1.01 0.64 -4.92 121.20 121.98 1x5i s ILE 74 Ca -0.04 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1x5i s ILE 74 Cb -0.06 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1x5i s ILE 74 CO -0.02 0.52 -0.21 -0.54 0.00 0.00 0.00 174.94 174.68 1x5i s LYS 75 N -0.22 3.06 0.18 2.79 -0.14 -1.26 -0.33 119.74 123.82 1x5i s LYS 75 Ca -0.00 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 53.77 1x5i s LYS 75 Cb -0.12 -2.47 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1x5i s LYS 75 CO 0.02 -0.00 0.07 0.14 -0.76 0.00 0.00 175.35 174.82 1x5i s VAL 76 N 0.80 0.30 1.18 3.17 -7.23 -1.18 -5.02 120.40 112.42 1x5i s VAL 76 Ca -0.07 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 57.96 1x5i s VAL 76 Cb -0.16 -2.27 0.27 0.00 0.56 0.00 0.00 36.38 34.79 1x5i s VAL 76 CO -0.01 -0.28 1.07 -1.81 -0.31 0.00 0.00 175.10 173.76 1x5i s ASP 77 N -3.15 1.04 0.20 4.85 1.01 -1.26 -2.55 116.67 116.81 1x5i s ASP 77 Ca 0.30 0.89 -0.02 0.00 0.71 0.00 0.00 52.55 54.43 1x5i s ASP 77 Cb 0.07 -1.33 0.14 0.00 1.01 0.00 0.00 42.92 42.81 1x5i s ASP 77 CO 0.07 -4.08 1.52 0.10 0.21 0.00 0.00 175.17 172.99 1x5i h TYR 78 N -2.54 0.67 -0.79 4.23 -0.00 -1.70 -3.22 116.97 113.61 1x5i h TYR 78 Ca -0.49 -0.23 0.16 0.00 0.00 0.00 0.00 58.73 58.17 1x5i h TYR 78 Cb 1.32 -0.13 -0.15 0.00 0.00 0.00 0.00 36.73 37.77 1x5i h TYR 78 CO -1.39 0.95 -0.18 0.87 -0.00 0.00 0.00 178.16 178.40 1x5i h LYS 79 N 0.41 0.00 -6.11 0.10 6.56 -1.92 -3.39 116.57 112.22 1x5i h LYS 79 Ca 0.01 -0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.93 1x5i h LYS 79 Cb 1.07 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1x5i h LYS 79 CO 0.10 0.00 1.19 1.04 -2.06 0.00 0.00 179.45 179.72 1x5i n GLN 80 N -5.51 1.45 -0.01 3.15 1.13 -1.22 -4.83 117.38 111.55 1x5i n GLN 80 Ca 0.11 0.49 -0.07 0.00 -1.94 0.00 0.00 57.00 55.58 1x5i n GLN 80 Cb 0.41 -2.45 -0.13 0.00 0.11 0.00 0.00 30.24 28.18 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 10.17 0.00 -3.69 -1.09 1.12 -1.91 -3.49 114.38 115.49 1x5i h ARG 81 Ca -0.39 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.40 1x5i h ARG 81 Cb 1.30 0.00 -0.13 0.00 -0.01 0.00 0.00 29.97 31.14 1x5i h ARG 81 CO 0.98 0.48 -0.24 1.52 -3.11 0.00 0.00 179.97 179.60 1x5i s TYR 82 N -2.64 0.15 -0.03 2.20 1.13 -1.26 -1.90 117.35 114.99 1x5i s TYR 82 Ca -0.04 -0.52 0.01 0.00 -1.41 0.00 0.00 57.07 55.11 1x5i s TYR 82 Cb 0.08 0.07 0.02 0.00 -1.10 0.00 0.00 41.96 41.03 1x5i s TYR 82 CO 0.82 -0.70 -0.01 -0.47 -2.51 0.00 0.00 175.55 172.68 1x5i s TYR 83 N -3.90 0.37 -0.52 -3.49 6.14 0.92 -4.97 117.35 111.91 1x5i s TYR 83 Ca 0.10 -0.04 -0.17 0.00 0.64 0.00 0.00 57.07 57.60 1x5i s TYR 83 Cb 0.03 -0.40 0.10 0.00 0.42 0.00 0.00 41.96 42.11 1x5i s TYR 83 CO -0.06 -0.11 0.52 0.99 0.64 0.00 0.00 175.55 177.54 1x5i s THR 84 N 0.75 5.09 -0.42 4.34 2.01 -1.26 0.20 115.64 126.35 1x5i s THR 84 Ca -0.08 -1.12 -0.27 0.00 0.31 0.00 0.00 61.69 60.54 1x5i s THR 84 Cb -0.11 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.13 1x5i s THR 84 CO -0.01 -0.82 0.99 -0.63 -0.69 0.00 0.00 174.62 173.46 1x5i s ILE 85 N 1.97 4.44 0.51 1.82 1.01 -0.13 -4.86 121.20 125.97 1x5i s ILE 85 Ca 0.07 1.10 0.05 0.00 0.00 0.00 0.00 60.65 61.87 1x5i s ILE 85 Cb -0.25 -4.44 0.02 0.00 0.01 0.00 0.00 42.46 37.79 1x5i s ILE 85 CO 0.06 -0.75 0.33 -1.61 0.00 0.00 0.00 174.94 172.97 1x5i s GLU 86 N 3.83 2.27 -0.72 2.79 2.02 -1.26 0.26 118.70 127.88 1x5i s GLU 86 Ca 0.41 -2.00 -0.02 0.00 0.02 0.00 0.00 54.97 53.39 1x5i s GLU 86 Cb -0.10 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.08 1x5i s GLU 86 CO 0.24 -0.50 0.61 0.09 0.02 0.00 0.00 175.26 175.73 1x5i n ASN 87 N -1.63 -2.86 -4.81 -0.19 3.02 -1.14 -4.97 115.26 102.68 1x5i n ASN 87 Ca -0.03 -0.34 -0.29 0.00 -0.03 0.00 0.00 54.58 53.89 1x5i n ASN 87 Cb 0.64 -3.16 -0.05 0.00 -0.61 0.00 0.00 39.78 36.61 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 -4.56 2.58 -0.25 3.41 1.43 -1.15 -5.08 118.68 115.06 1x5i s LEU 88 Ca 0.11 -1.41 -0.09 0.00 -1.03 0.00 0.00 54.13 51.72 1x5i s LEU 88 Cb -0.05 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 1x5i s LEU 88 CO 0.42 -0.91 0.11 -1.81 0.23 0.00 0.00 176.35 174.40 1x5i s ASP 89 N -4.04 5.57 0.51 2.29 1.11 -1.26 -4.82 116.67 116.03 1x5i s ASP 89 Ca 0.23 -0.07 -0.21 0.00 0.18 0.00 0.00 52.55 52.67 1x5i s ASP 89 Cb 0.01 -2.01 -0.07 0.00 1.07 0.00 0.00 42.92 41.92 1x5i s ASP 89 CO 0.13 0.00 1.14 -2.16 1.18 0.00 0.00 175.17 175.47 1x5i s PRO 90 N 1.41 3.52 -0.36 8.23 0.04 -1.25 -3.86 135.00 142.74 1x5i s PRO 90 Ca 0.06 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 1x5i s PRO 90 Cb -0.15 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1x5i s PRO 90 CO 0.06 -0.72 0.31 0.45 0.04 0.00 0.00 177.00 177.14 1x5i n SER 91 N -0.97 -2.87 -3.80 6.66 2.88 -0.71 -4.83 113.62 109.98 1x5i n SER 91 Ca 0.10 -0.16 -0.10 0.00 -1.33 0.00 0.00 58.87 57.38 1x5i n SER 91 Cb 0.50 -1.76 -0.07 0.00 -0.75 0.00 0.00 64.21 62.12 1x5i n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5i s SER 92 N -3.17 -0.01 -0.24 -3.46 0.01 -1.25 -4.99 113.70 100.58 1x5i s SER 92 Ca 0.12 -0.38 -0.11 0.00 1.31 0.00 0.00 55.95 56.89 1x5i s SER 92 Cb -0.05 0.34 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 1x5i s SER 92 CO 0.20 -0.64 0.17 -2.28 0.41 0.00 0.00 173.24 171.10 1x5i s HIS 93 N -2.98 3.30 -0.15 2.43 5.65 -1.26 -2.18 115.29 120.10 1x5i s HIS 93 Ca -0.02 0.22 0.01 0.00 0.25 0.00 0.00 55.06 55.52 1x5i s HIS 93 Cb 0.01 -2.29 -0.00 0.00 -1.18 0.00 0.00 32.58 29.11 1x5i s HIS 93 CO -0.06 0.03 -0.16 0.71 -0.65 0.00 0.00 174.74 174.61 1x5i s TYR 94 N 1.16 2.76 -0.51 3.88 1.51 -0.64 -4.25 117.35 121.27 1x5i s TYR 94 Ca 0.08 -1.05 -0.24 0.00 -1.01 0.00 0.00 57.07 54.85 1x5i s TYR 94 Cb -0.14 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1x5i s TYR 94 CO 0.05 -0.47 0.90 0.08 -1.11 0.00 0.00 175.55 175.00 1x5i s VAL 95 N 0.78 4.47 -0.08 0.71 1.01 -0.92 -2.78 120.40 123.60 1x5i s VAL 95 Ca -0.06 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 1x5i s VAL 95 Cb -0.15 -4.47 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 1x5i s VAL 95 CO 0.00 -0.97 0.33 -0.63 0.00 0.00 0.00 175.10 173.83 1x5i s ILE 96 N 3.74 5.21 0.19 2.22 1.09 -1.25 -3.79 121.20 128.62 1x5i s ILE 96 Ca 0.31 0.64 0.06 0.00 -1.10 0.00 0.00 60.65 60.57 1x5i s ILE 96 Cb -0.12 -3.64 -0.05 0.00 -1.06 0.00 0.00 42.46 37.60 1x5i s ILE 96 CO 0.21 0.51 -0.12 0.42 -0.10 0.00 0.00 174.94 175.87 1x5i s THR 97 N -0.49 1.52 -0.14 2.92 -4.23 0.09 -1.70 115.64 113.60 1x5i s THR 97 Ca 0.20 -2.15 -0.09 0.00 -1.18 0.00 0.00 61.69 58.47 1x5i s THR 97 Cb -0.15 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.73 1x5i s THR 97 CO 0.09 -0.62 0.35 -0.22 -0.54 0.00 0.00 174.62 173.68 1x5i s LEU 98 N -3.27 0.22 -0.04 4.79 2.96 -1.25 -2.59 118.68 119.49 1x5i s LEU 98 Ca 0.21 0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 1x5i s LEU 98 Cb 0.01 1.14 0.03 0.00 0.50 0.00 0.00 46.19 47.86 1x5i s LEU 98 CO 0.05 -0.17 0.08 -1.59 -1.32 0.00 0.00 176.35 173.40 1x5i s LYS 99 N 1.10 0.04 -0.13 1.98 -2.85 -1.13 -0.89 119.74 117.87 1x5i s LYS 99 Ca -0.07 0.23 -0.20 0.00 -1.00 0.00 0.00 55.97 54.92 1x5i s LYS 99 Cb -0.08 -0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.52 1x5i s LYS 99 CO -0.09 -0.12 0.57 0.00 0.10 0.00 0.00 175.35 175.81 1x5i s ALA 100 N 0.82 3.45 0.01 0.59 0.00 -1.26 -1.52 121.76 123.85 1x5i s ALA 100 Ca -0.06 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1x5i s ALA 100 Cb -0.09 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1x5i s ALA 100 CO -0.03 -0.17 -0.06 -0.59 0.00 0.00 0.00 175.76 174.91 1x5i s PHE 101 N 0.99 0.51 0.22 0.00 -0.71 -1.05 -2.17 117.98 115.78 1x5i s PHE 101 Ca 0.30 -0.24 0.02 0.00 -1.04 0.00 0.00 56.93 55.97 1x5i s PHE 101 Cb -0.16 -0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 41.32 1x5i s PHE 101 CO 0.12 -0.04 0.08 0.27 -1.34 0.00 0.00 175.22 174.32 1x5i n ASN 102 N 2.40 1.07 -0.44 1.98 6.94 0.12 -2.82 115.26 124.51 1x5i n ASN 102 Ca -0.17 -2.20 0.37 0.00 -0.02 0.00 0.00 54.58 52.56 1x5i n ASN 102 Cb 0.57 0.58 0.67 0.00 -2.36 0.00 0.00 39.78 39.23 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 0.90 0.21 -0.11 0.53 -1.07 -1.94 0.46 115.58 114.56 1x5i h ASN 103 Ca -0.17 0.09 -0.07 0.00 0.07 0.00 0.00 56.30 56.21 1x5i h ASN 103 Cb 0.67 0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.99 1x5i h ASN 103 CO 0.28 -0.08 -0.19 0.58 0.07 0.00 0.00 177.43 178.08 1x5i h VAL 104 N 0.12 1.38 0.00 6.14 2.07 -1.84 -3.50 116.25 120.62 1x5i h VAL 104 Ca 0.76 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1x5i h VAL 104 Cb 2.51 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 34.35 1x5i h VAL 104 CO -0.27 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.35 1x5i n GLY 105 N 0.39 -1.05 3.87 2.17 0.00 0.16 -4.96 105.19 105.78 1x5i n GLY 105 Ca -0.07 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 3.04 0.00 1.61 4.04 -1.26 0.12 118.70 124.25 1x5i s GLU 106 Ca 0.00 -1.01 0.00 0.00 0.04 0.00 0.00 54.97 54.00 1x5i s GLU 106 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 34.13 31.50 1x5i s GLU 106 CO 0.00 0.34 0.00 0.41 -1.84 0.00 0.00 175.26 174.17 1x5i n GLY 107 N -1.29 1.28 3.48 -3.83 0.00 -0.92 -4.91 105.19 99.00 1x5i n GLY 107 Ca -0.07 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 4.06 4.24 0.96 -0.61 -0.00 -1.26 -4.96 121.20 123.64 1x5i s ILE 108 Ca 0.00 -0.21 -0.12 0.00 -0.00 0.00 0.00 60.65 60.32 1x5i s ILE 108 Cb 0.00 -2.94 0.17 0.00 -0.00 0.00 0.00 42.46 39.69 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 1.10 0.71 0.56 0.37 0.04 -1.26 -4.04 135.00 132.49 1x5i s PRO 109 Ca 0.03 0.62 0.05 0.00 0.04 0.00 0.00 61.00 61.75 1x5i s PRO 109 Cb -0.14 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 32.69 1x5i s PRO 109 CO 0.02 -2.57 0.43 -0.51 0.04 0.00 0.00 177.00 174.41 1x5i s LEU 110 N -6.38 2.62 -0.04 -3.56 1.43 -0.07 -4.89 118.68 107.79 1x5i s LEU 110 Ca 0.65 -1.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1x5i s LEU 110 Cb -0.18 -1.11 0.03 0.00 0.03 0.00 0.00 46.19 44.96 1x5i s LEU 110 CO 0.57 -1.18 0.08 -0.31 0.23 0.00 0.00 176.35 175.74 1x5i s TYR 111 N -2.81 -0.04 0.29 0.29 1.51 -1.26 -4.03 117.35 111.30 1x5i s TYR 111 Ca 0.33 0.31 0.05 0.00 -1.01 0.00 0.00 57.07 56.75 1x5i s TYR 111 Cb -0.03 -0.25 -0.02 0.00 -0.11 0.00 0.00 41.96 41.55 1x5i s TYR 111 CO 0.21 -0.16 0.17 0.39 -1.11 0.00 0.00 175.55 175.06 1x5i n GLU 112 N 4.58 0.47 -3.84 -0.62 -0.58 -0.69 -5.03 120.64 114.94 1x5i n GLU 112 Ca -0.19 -2.68 -0.12 0.00 -0.42 0.00 0.00 57.16 53.74 1x5i n GLU 112 Cb 0.50 1.85 -0.14 0.00 -0.57 0.00 0.00 31.44 33.09 1x5i n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1x5i s SER 113 N -2.91 -0.07 -0.23 1.62 1.04 -1.26 -3.75 113.70 108.14 1x5i s SER 113 Ca 0.25 0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.79 1x5i s SER 113 Cb 0.01 0.13 0.13 0.00 0.10 0.00 0.00 66.02 66.39 1x5i s SER 113 CO 0.17 -0.04 0.38 0.00 0.98 0.00 0.00 173.24 174.73 1x5i s ALA 114 N 0.15 -1.07 -0.50 5.32 0.00 -1.12 -4.90 121.76 119.65 1x5i s ALA 114 Ca -0.01 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 1x5i s ALA 114 Cb -0.02 -1.61 0.11 0.00 0.00 0.00 0.00 23.12 21.61 1x5i s ALA 114 CO -0.00 -1.18 0.42 0.08 0.00 0.00 0.00 175.76 175.07 1x5i s VAL 115 N 2.55 4.89 0.12 0.00 1.01 -1.26 -1.62 120.40 126.10 1x5i s VAL 115 Ca 0.11 -1.45 -0.35 0.00 0.00 0.00 0.00 61.98 60.28 1x5i s VAL 115 Cb -0.15 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 31.99 1x5i s VAL 115 CO -0.15 -0.74 1.43 0.35 0.00 0.00 0.00 175.10 175.98 1x5i n THR 116 N 5.13 0.07 -1.33 3.92 -2.24 -0.93 -4.80 114.28 114.10 1x5i n THR 116 Ca -0.12 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 1x5i n THR 116 Cb 0.41 -1.12 0.09 0.00 -2.10 0.00 0.00 70.33 67.61 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 2.82 0.47 -2.05 -0.78 1.74 -1.26 -1.73 116.66 115.86 1x5i n ARG 117 Ca 0.17 0.22 -0.40 0.00 -0.77 0.00 0.00 57.85 57.07 1x5i n ARG 117 Cb 0.23 -2.20 -0.03 0.00 -1.02 0.00 0.00 32.46 29.45 1x5i n ARG 117 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x5i s PRO 118 N -3.33 2.87 -0.52 5.56 0.04 -1.26 -3.41 135.00 134.95 1x5i s PRO 118 Ca 0.72 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 1x5i s PRO 118 Cb -0.34 -4.31 -0.15 0.00 0.04 0.00 0.00 34.50 29.73 1x5i s PRO 118 CO 0.51 -2.43 1.76 1.58 0.04 0.00 0.00 177.00 178.46 1x5i n HIS 119 N 11.86 0.67 -2.81 0.56 -0.00 -1.26 -4.84 115.22 119.40 1x5i n HIS 119 Ca 0.21 0.45 -0.38 0.00 0.46 0.00 0.00 57.72 58.46 1x5i n HIS 119 Cb 0.50 -1.72 -0.06 0.00 -0.12 0.00 0.00 29.99 28.59 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 5.37 4.20 -0.22 3.57 -1.32 -1.26 -4.99 115.64 120.99 1x5i s THR 120 Ca 0.94 1.86 -0.12 0.00 -1.21 0.00 0.00 61.69 63.17 1x5i s THR 120 Cb -1.04 -4.11 -0.18 0.00 -1.51 0.00 0.00 72.50 65.66 1x5i s THR 120 CO 0.44 0.29 -0.02 -1.20 -2.21 0.00 0.00 174.62 171.91 1x5i n SER 121 N 0.95 1.97 -3.01 8.08 7.64 -1.26 -5.05 113.62 122.93 1x5i n SER 121 Ca -0.00 0.24 -0.06 0.00 1.01 0.00 0.00 58.87 60.06 1x5i n SER 121 Cb 0.49 -0.79 0.03 0.00 -1.01 0.00 0.00 64.21 62.93 1x5i n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5i n GLY 122 N 1.65 -1.10 3.55 0.23 0.00 -1.26 -4.87 105.19 103.39 1x5i n GLY 122 Ca -0.42 0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.56 2.65 -0.22 1.61 0.04 -1.26 -4.90 135.00 129.36 1x5i s PRO 123 Ca 0.19 0.64 -0.28 0.00 0.04 0.00 0.00 61.00 61.58 1x5i s PRO 123 Cb -0.02 -4.38 0.14 0.00 0.04 0.00 0.00 34.50 30.27 1x5i s PRO 123 CO 0.69 -2.71 1.09 0.45 0.04 0.00 0.00 177.00 176.56 1x5i s SER 124 N 8.05 -0.31 -0.30 6.66 0.15 -1.26 -5.17 113.70 121.52 1x5i s SER 124 Ca 0.68 0.43 -0.12 0.00 0.70 0.00 0.00 55.95 57.64 1x5i s SER 124 Cb -0.13 0.38 0.13 0.00 -1.71 0.00 0.00 66.02 64.69 1x5i s SER 124 CO 0.21 -0.23 0.76 -0.44 1.20 0.00 0.00 173.24 174.74 1x5i s SER 125 N -0.70 -0.95 0.00 5.45 0.01 -1.26 -5.27 113.70 110.98 1x5i s SER 125 Ca 0.02 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1x5i s SER 125 Cb -0.02 1.98 0.00 0.00 0.21 0.00 0.00 66.02 68.19 1x5i s SER 125 CO -0.03 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.04