#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5i h SER 2 N 0.00 -0.11 -2.07 1.61 0.02 -2.11 -3.42 113.55 107.48 1x5i h SER 2 Ca 0.00 0.12 -0.51 0.00 -0.84 0.00 0.00 61.79 60.57 1x5i h SER 2 Cb 0.00 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 1x5i h SER 2 CO 0.00 -0.04 -0.51 -0.55 -1.14 0.00 0.00 176.83 174.59 1x5i s SER 3 N -5.27 5.32 0.00 3.07 0.15 -1.26 -5.07 113.70 110.64 1x5i s SER 3 Ca -0.13 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1x5i s SER 3 Cb 0.18 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1x5i s SER 3 CO 0.73 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.64 1x5i n GLY 4 N -1.22 0.35 3.38 9.45 0.00 -1.26 -5.03 105.19 110.86 1x5i n GLY 4 Ca -0.06 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1x5i n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5i n SER 5 N 0.00 -5.46 -3.58 1.61 7.64 -1.26 -5.00 113.62 107.56 1x5i n SER 5 Ca 0.00 -0.50 -0.15 0.00 1.01 0.00 0.00 58.87 59.23 1x5i n SER 5 Cb 0.00 -4.64 -0.07 0.00 -1.01 0.00 0.00 64.21 58.50 1x5i n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5i s SER 6 N -3.42 -0.68 0.00 6.43 1.04 -1.26 -5.17 113.70 110.64 1x5i s SER 6 Ca 0.46 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1x5i s SER 6 Cb -0.20 1.01 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1x5i s SER 6 CO 0.66 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1x5i n GLY 7 N 1.85 1.08 3.77 7.32 0.00 -1.26 -5.16 105.19 112.79 1x5i n GLY 7 Ca -0.16 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 1.54 3.10 0.06 1.61 0.04 -1.26 -5.06 135.00 135.04 1x5i s PRO 8 Ca 0.00 1.51 0.06 0.00 0.04 0.00 0.00 61.00 62.60 1x5i s PRO 8 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1x5i s PRO 8 CO 0.00 -1.03 -0.09 0.00 0.04 0.00 0.00 177.00 175.92 1x5i s ALA 9 N -2.03 2.98 0.25 8.56 0.00 -1.26 -5.10 121.76 125.15 1x5i s ALA 9 Ca 0.70 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 1x5i s ALA 9 Cb -0.22 -0.99 -0.09 0.00 0.00 0.00 0.00 23.12 21.81 1x5i s ALA 9 CO 0.34 0.63 1.28 0.99 0.00 0.00 0.00 175.76 178.99 1x5i s THR 10 N -1.12 3.12 0.00 0.00 2.01 -1.26 -5.04 115.64 113.36 1x5i s THR 10 Ca 0.20 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.23 1x5i s THR 10 Cb -0.11 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1x5i s THR 10 CO 0.11 0.19 -0.12 1.51 -0.69 0.00 0.00 174.62 175.62 1x5i s ASP 11 N -0.07 1.37 0.07 3.53 -4.77 -1.26 -5.15 116.67 110.39 1x5i s ASP 11 Ca 0.53 -0.28 0.04 0.00 -3.30 0.00 0.00 52.55 49.54 1x5i s ASP 11 Cb -0.37 -0.13 -0.03 0.00 -1.09 0.00 0.00 42.92 41.31 1x5i s ASP 11 CO 0.43 0.10 -0.11 -1.66 0.70 0.00 0.00 175.17 174.63 1x5i s TRP 12 N -0.45 0.97 0.39 2.11 1.48 -1.26 -5.17 118.94 117.02 1x5i s TRP 12 Ca 0.03 -0.53 0.04 0.00 -1.06 0.00 0.00 56.10 54.58 1x5i s TRP 12 Cb -0.05 -0.55 -0.03 0.00 -1.16 0.00 0.00 33.47 31.68 1x5i s TRP 12 CO 0.00 -0.01 0.13 -0.48 -4.06 0.00 0.00 176.95 172.53 1x5i s LEU 13 N -1.87 1.97 0.46 -4.66 2.34 -1.26 -5.17 118.68 110.49 1x5i s LEU 13 Ca -0.03 -1.65 0.07 0.00 0.06 0.00 0.00 54.13 52.58 1x5i s LEU 13 Cb -0.08 -0.08 -0.02 0.00 -0.56 0.00 0.00 46.19 45.45 1x5i s LEU 13 CO 0.01 -0.91 0.29 -0.55 -1.06 0.00 0.00 176.35 174.12 1x5i s SER 14 N -3.57 4.62 0.18 1.48 0.15 -1.26 -5.08 113.70 110.21 1x5i s SER 14 Ca 0.26 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1x5i s SER 14 Cb 0.03 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1x5i s SER 14 CO 0.15 -0.75 0.00 0.00 1.20 0.00 0.00 173.24 173.84 1x5i n ALA 15 N -1.47 3.00 -2.64 5.45 0.00 -1.26 -5.01 120.51 118.58 1x5i n ALA 15 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1x5i n ALA 15 Cb 0.64 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 1x5i n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x5i s GLU 16 N -1.74 3.22 -0.16 0.00 0.41 -1.26 -4.95 118.70 114.22 1x5i s GLU 16 Ca 0.00 -0.51 -0.04 0.00 -0.41 0.00 0.00 54.97 54.00 1x5i s GLU 16 Cb 0.00 -4.32 0.08 0.00 -1.78 0.00 0.00 34.13 28.11 1x5i s GLU 16 CO 0.00 -2.06 0.26 0.95 -0.49 0.00 0.00 175.26 173.92 1x5i s THR 17 N 5.17 -0.41 0.76 3.63 -4.23 -1.26 -5.16 115.64 114.14 1x5i s THR 17 Ca 0.33 0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.88 1x5i s THR 17 Cb -0.09 -0.55 0.08 0.00 1.34 0.00 0.00 72.50 73.28 1x5i s THR 17 CO 0.11 0.00 1.10 -0.36 -0.54 0.00 0.00 174.62 174.93 1x5i s PHE 18 N 2.40 2.82 0.12 3.99 0.08 -1.26 -5.01 117.98 121.12 1x5i s PHE 18 Ca 0.04 0.54 -0.31 0.00 0.12 0.00 0.00 56.93 57.33 1x5i s PHE 18 Cb -0.13 -3.37 -0.08 0.00 -0.57 0.00 0.00 43.02 38.87 1x5i s PHE 18 CO -0.10 -1.64 1.35 -1.21 -0.10 0.00 0.00 175.22 173.51 1x5i s GLU 19 N -5.42 4.35 -0.21 0.44 0.41 -1.26 -3.15 118.70 113.86 1x5i s GLU 19 Ca 0.62 2.03 -0.03 0.00 -0.41 0.00 0.00 54.97 57.18 1x5i s GLU 19 Cb -0.10 -3.25 0.03 0.00 -1.78 0.00 0.00 34.13 29.02 1x5i s GLU 19 CO 0.47 -0.38 0.07 0.45 -0.49 0.00 0.00 175.26 175.38 1x5i n SER 20 N 3.71 -0.91 -3.14 -0.19 2.88 -1.26 0.13 113.62 114.84 1x5i n SER 20 Ca 0.10 0.21 -0.15 0.00 -1.33 0.00 0.00 58.87 57.71 1x5i n SER 20 Cb 0.43 -0.88 0.08 0.00 -0.75 0.00 0.00 64.21 63.08 1x5i n SER 20 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x5i n ASP 21 N -1.31 -3.29 -4.15 -3.46 8.00 -1.19 -4.92 116.55 106.25 1x5i n ASP 21 Ca 0.01 -0.58 -0.37 0.00 0.71 0.00 0.00 54.79 54.56 1x5i n ASP 21 Cb 0.40 -4.66 0.03 0.00 -0.02 0.00 0.00 41.12 36.87 1x5i n ASP 21 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1x5i n LEU 22 N -3.57 -4.39 -4.55 0.64 4.77 0.35 -4.89 117.00 105.37 1x5i n LEU 22 Ca -0.20 0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 1x5i n LEU 22 Cb 0.64 -0.85 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1x5i n LEU 22 CO 0.54 -5.25 0.14 -0.62 -1.33 0.00 0.00 177.39 170.86 1x5i s ASP 23 N -1.07 6.25 -0.22 -1.43 2.15 0.58 -4.92 116.67 118.00 1x5i s ASP 23 Ca 0.49 -0.16 0.12 0.00 0.43 0.00 0.00 52.55 53.43 1x5i s ASP 23 Cb -0.31 -2.23 0.44 0.00 -0.30 0.00 0.00 42.92 40.51 1x5i s ASP 23 CO 0.74 -0.43 1.20 1.21 -0.17 0.00 0.00 175.17 177.72 1x5i n GLU 24 N 5.58 2.15 -0.00 4.34 2.13 -1.26 -0.76 120.64 132.82 1x5i n GLU 24 Ca -0.07 -3.49 0.06 0.00 0.66 0.00 0.00 57.16 54.32 1x5i n GLU 24 Cb 0.49 -1.69 -0.07 0.00 0.27 0.00 0.00 31.44 30.44 1x5i n GLU 24 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1x5i n THR 25 N -0.78 0.00 -4.07 6.31 5.66 -1.26 -4.76 114.28 115.38 1x5i n THR 25 Ca 0.26 -0.22 -0.09 0.00 -3.05 0.00 0.00 64.05 60.94 1x5i n THR 25 Cb 0.84 0.87 -0.11 0.00 -1.55 0.00 0.00 70.33 70.39 1x5i n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5i s ARG 26 N -2.27 0.56 0.33 1.09 1.70 -1.26 -5.06 118.95 114.03 1x5i s ARG 26 Ca 0.03 -1.00 -0.26 0.00 -0.47 0.00 0.00 55.73 54.04 1x5i s ARG 26 Cb 0.09 0.02 -0.10 0.00 -0.57 0.00 0.00 34.95 34.39 1x5i s ARG 26 CO 0.51 -0.05 0.96 0.14 -1.08 0.00 0.00 175.30 175.78 1x5i s VAL 27 N -2.77 4.15 -0.59 4.99 -7.23 -1.26 -4.76 120.40 112.93 1x5i s VAL 27 Ca -0.01 1.76 -0.27 0.00 -1.81 0.00 0.00 61.98 61.65 1x5i s VAL 27 Cb -0.00 -3.97 -0.02 0.00 0.56 0.00 0.00 36.38 32.95 1x5i s VAL 27 CO -0.05 0.13 1.85 -2.16 -0.31 0.00 0.00 175.10 174.56 1x5i s PRO 28 N -2.10 2.67 1.08 4.82 0.04 -1.26 -4.87 135.00 135.38 1x5i s PRO 28 Ca 0.51 0.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 1x5i s PRO 28 Cb -0.19 -4.37 0.14 0.00 0.04 0.00 0.00 34.50 30.11 1x5i s PRO 28 CO 0.24 -2.67 0.13 0.39 0.04 0.00 0.00 177.00 175.13 1x5i n GLU 29 N 9.13 -2.05 -1.44 4.56 -0.58 -1.26 -4.07 120.64 124.93 1x5i n GLU 29 Ca 0.21 -0.60 -0.50 0.00 -0.42 0.00 0.00 57.16 55.84 1x5i n GLU 29 Cb 0.52 -1.56 -0.04 0.00 -0.57 0.00 0.00 31.44 29.79 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1x5i n VAL 30 N -4.45 1.49 -1.14 2.62 3.14 -1.26 -4.68 118.33 114.05 1x5i n VAL 30 Ca 0.04 -0.37 -0.29 0.00 -2.96 0.00 0.00 64.34 60.76 1x5i n VAL 30 Cb 0.49 -0.10 0.20 0.00 -1.06 0.00 0.00 33.84 33.37 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 -0.77 -0.17 0.22 1.45 0.04 -1.26 -4.85 135.00 129.66 1x5i s PRO 31 Ca 0.70 0.31 -0.10 0.00 0.04 0.00 0.00 61.00 61.95 1x5i s PRO 31 Cb -0.99 -1.69 0.32 0.00 0.04 0.00 0.00 34.50 32.18 1x5i s PRO 31 CO 0.56 -3.09 1.67 1.03 0.04 0.00 0.00 177.00 177.21 1x5i h SER 32 N -2.14 -0.23 -1.48 6.66 0.87 -1.71 -3.47 113.55 112.05 1x5i h SER 32 Ca -0.52 0.15 0.18 0.00 -1.23 0.00 0.00 61.79 60.37 1x5i h SER 32 Cb 1.32 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.51 1x5i h SER 32 CO 0.51 -0.10 0.50 -1.54 -0.53 0.00 0.00 176.83 175.66 1x5i n SER 33 N -5.26 -0.82 -3.44 6.23 3.41 -1.26 -5.02 113.62 107.46 1x5i n SER 33 Ca 0.10 -1.26 -0.05 0.00 -0.26 0.00 0.00 58.87 57.39 1x5i n SER 33 Cb 0.37 1.29 -0.06 0.00 -0.26 0.00 0.00 64.21 65.55 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x5i s LEU 34 N 0.00 -0.87 0.04 1.04 2.96 -1.26 -3.20 118.68 117.39 1x5i s LEU 34 Ca 0.17 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 1x5i s LEU 34 Cb -0.01 1.57 -0.04 0.00 0.50 0.00 0.00 46.19 48.21 1x5i s LEU 34 CO 0.01 -0.26 0.05 -2.28 -1.32 0.00 0.00 176.35 172.55 1x5i s HIS 35 N 2.68 3.17 -0.01 5.38 5.65 0.11 -4.96 115.29 127.32 1x5i s HIS 35 Ca 0.08 0.10 0.01 0.00 0.25 0.00 0.00 55.06 55.50 1x5i s HIS 35 Cb -0.14 -1.65 -0.00 0.00 -1.18 0.00 0.00 32.58 29.61 1x5i s HIS 35 CO -0.16 0.51 -0.04 0.14 -0.65 0.00 0.00 174.74 174.54 1x5i s VAL 36 N -1.26 0.30 -0.31 0.89 -7.23 -1.26 -0.21 120.40 111.32 1x5i s VAL 36 Ca 0.25 -0.15 -0.00 0.00 -1.81 0.00 0.00 61.98 60.27 1x5i s VAL 36 Cb -0.12 -0.27 0.06 0.00 0.56 0.00 0.00 36.38 36.62 1x5i s VAL 36 CO 0.17 0.09 -0.00 -0.13 -0.31 0.00 0.00 175.10 174.92 1x5i s ARG 37 N 0.00 2.24 -0.02 4.82 0.52 -0.41 -4.98 118.95 121.11 1x5i s ARG 37 Ca 0.00 -1.41 -0.30 0.00 -0.52 0.00 0.00 55.73 53.50 1x5i s ARG 37 Cb -0.03 -3.15 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 1x5i s ARG 37 CO -0.00 -0.69 1.47 -1.25 0.02 0.00 0.00 175.30 174.85 1x5i s PRO 38 N 1.17 4.24 0.19 3.54 0.04 -1.26 -0.93 135.00 142.00 1x5i s PRO 38 Ca -0.03 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.14 1x5i s PRO 38 Cb -0.20 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 1x5i s PRO 38 CO -0.03 -0.67 -0.21 -0.51 0.04 0.00 0.00 177.00 175.62 1x5i s LEU 39 N 2.91 2.55 0.00 -3.56 1.02 0.14 -4.57 118.68 117.17 1x5i s LEU 39 Ca 0.66 -0.82 0.00 0.00 0.02 0.00 0.00 54.13 53.99 1x5i s LEU 39 Cb -0.32 -1.26 0.00 0.00 0.02 0.00 0.00 46.19 44.63 1x5i s LEU 39 CO 0.26 0.11 0.40 0.52 0.02 0.00 0.00 176.35 177.67 1x5i n VAL 40 N 0.18 0.00 -1.32 -1.59 0.31 -1.26 -2.03 118.33 112.62 1x5i n VAL 40 Ca -0.12 0.64 0.05 0.00 -0.01 0.00 0.00 64.34 64.91 1x5i n VAL 40 Cb 0.56 -0.89 0.19 0.00 -0.91 0.00 0.00 33.84 32.79 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 -1.84 2.19 -4.08 2.52 -2.24 -1.26 -3.71 114.28 105.86 1x5i n THR 41 Ca 0.00 -2.64 -0.15 0.00 -2.27 0.00 0.00 64.05 58.99 1x5i n THR 41 Cb 0.00 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 1x5i n THR 41 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x5i s SER 42 N -2.80 1.01 -0.29 3.42 0.15 -0.86 -2.74 113.70 111.59 1x5i s SER 42 Ca 0.38 -1.53 0.01 0.00 0.70 0.00 0.00 55.95 55.51 1x5i s SER 42 Cb 0.34 0.69 0.19 0.00 -1.71 0.00 0.00 66.02 65.53 1x5i s SER 42 CO -0.00 -1.35 0.57 -0.63 1.20 0.00 0.00 173.24 173.03 1x5i s ILE 43 N -2.88 -0.95 -0.93 6.45 1.01 -0.47 0.27 121.20 123.71 1x5i s ILE 43 Ca 0.30 -0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.69 1x5i s ILE 43 Cb -0.01 -0.98 0.03 0.00 0.01 0.00 0.00 42.46 41.51 1x5i s ILE 43 CO 0.21 -0.02 1.51 -0.69 0.00 0.00 0.00 174.94 175.95 1x5i s VAL 44 N 2.81 3.78 -0.61 2.92 1.01 -0.10 -1.02 120.40 129.19 1x5i s VAL 44 Ca 0.17 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 1x5i s VAL 44 Cb -0.14 -4.82 0.04 0.00 0.00 0.00 0.00 36.38 31.46 1x5i s VAL 44 CO -0.22 -1.73 1.11 -0.69 0.00 0.00 0.00 175.10 173.57 1x5i s VAL 45 N 6.08 4.11 -0.20 2.92 1.01 0.13 -1.29 120.40 133.15 1x5i s VAL 45 Ca 0.48 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 1x5i s VAL 45 Cb -0.03 -4.70 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 1x5i s VAL 45 CO -0.02 -1.39 0.01 -0.94 0.00 0.00 0.00 175.10 172.76 1x5i s SER 46 N 3.17 4.89 0.46 3.32 1.04 0.70 0.11 113.70 127.38 1x5i s SER 46 Ca 0.35 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.62 1x5i s SER 46 Cb -0.10 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 1x5i s SER 46 CO 0.20 0.06 0.02 -1.66 0.98 0.00 0.00 173.24 172.83 1x5i s TRP 47 N 1.04 2.08 0.11 5.02 -2.14 -0.89 0.08 118.94 124.23 1x5i s TRP 47 Ca 0.02 -0.89 0.04 0.00 2.66 0.00 0.00 56.10 57.93 1x5i s TRP 47 Cb -0.14 -1.62 -0.04 0.00 -3.10 0.00 0.00 33.47 28.57 1x5i s TRP 47 CO 0.02 0.25 -0.10 0.95 -2.66 0.00 0.00 176.95 175.41 1x5i s THR 48 N -2.87 0.95 0.78 0.66 -4.23 -1.19 -4.78 115.64 104.95 1x5i s THR 48 Ca 0.18 -1.76 -0.11 0.00 -1.18 0.00 0.00 61.69 58.82 1x5i s THR 48 Cb 0.05 -1.50 0.06 0.00 1.34 0.00 0.00 72.50 72.45 1x5i s THR 48 CO 0.09 -0.64 1.09 -2.16 -0.54 0.00 0.00 174.62 172.47 1x5i s PRO 49 N -3.12 2.20 -0.00 3.99 0.04 -1.26 -4.18 135.00 132.66 1x5i s PRO 49 Ca 0.08 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1x5i s PRO 49 Cb -0.01 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1x5i s PRO 49 CO -0.01 -1.68 1.45 -1.25 0.04 0.00 0.00 177.00 175.55 1x5i s PRO 50 N -4.91 4.26 0.34 0.56 0.04 -1.26 -3.09 135.00 130.95 1x5i s PRO 50 Ca 0.61 2.02 0.24 0.00 0.04 0.00 0.00 61.00 63.92 1x5i s PRO 50 Cb -0.17 -3.61 1.19 0.00 0.04 0.00 0.00 34.50 31.94 1x5i s PRO 50 CO 0.56 -0.62 1.27 0.39 0.04 0.00 0.00 177.00 178.64 1x5i n GLU 51 N 5.58 -0.03 -2.92 4.56 1.02 -1.26 -3.12 120.64 124.47 1x5i n GLU 51 Ca 0.14 1.04 -0.44 0.00 -0.02 0.00 0.00 57.16 57.89 1x5i n GLU 51 Cb 0.43 -2.01 -0.03 0.00 -0.02 0.00 0.00 31.44 29.81 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 -4.40 6.43 0.14 1.62 3.84 -1.26 -4.86 114.94 116.45 1x5i s ASN 52 Ca -0.06 -1.63 -0.11 0.00 0.21 0.00 0.00 52.86 51.27 1x5i s ASN 52 Cb 0.26 -2.40 -0.03 0.00 -0.55 0.00 0.00 41.25 38.53 1x5i s ASN 52 CO 0.66 -1.20 1.50 1.56 -2.79 0.00 0.00 177.10 176.83 1x5i h GLN 53 N 9.12 0.94 -0.82 0.43 1.08 -1.96 -3.14 115.11 120.76 1x5i h GLN 53 Ca -0.04 -0.45 0.34 0.00 -1.45 0.00 0.00 58.65 57.05 1x5i h GLN 53 Cb 1.05 -0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.32 1x5i h GLN 53 CO 1.13 1.11 0.43 0.09 -0.95 0.00 0.00 178.83 180.65 1x5i n ASN 54 N -4.11 0.28 -4.76 1.46 4.13 -1.26 -4.28 115.26 106.71 1x5i n ASN 54 Ca -0.01 1.36 -0.41 0.00 1.68 0.00 0.00 54.58 57.20 1x5i n ASN 54 Cb 0.50 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 38.05 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x5i s ILE 55 N -5.26 3.02 0.20 2.41 1.01 -1.19 -0.31 121.20 121.09 1x5i s ILE 55 Ca -0.07 0.99 -0.30 0.00 0.00 0.00 0.00 60.65 61.27 1x5i s ILE 55 Cb 0.28 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 1x5i s ILE 55 CO 0.64 0.22 1.13 -0.69 0.00 0.00 0.00 174.94 176.25 1x5i s VAL 56 N -0.93 3.67 -0.13 2.92 1.01 0.06 -4.82 120.40 122.18 1x5i s VAL 56 Ca 0.49 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.93 1x5i s VAL 56 Cb -0.37 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.11 1x5i s VAL 56 CO 0.47 0.27 0.01 -0.69 0.00 0.00 0.00 175.10 175.16 1x5i s VAL 57 N -0.38 0.47 -0.12 2.92 1.01 -1.26 -4.48 120.40 118.56 1x5i s VAL 57 Ca 0.49 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 1x5i s VAL 57 Cb -0.31 -0.78 -0.26 0.00 0.00 0.00 0.00 36.38 35.02 1x5i s VAL 57 CO 0.37 0.05 0.64 0.03 0.00 0.00 0.00 175.10 176.19 1x5i h ARG 58 N 8.28 0.15 0.00 2.72 2.47 -1.86 -3.45 114.38 122.70 1x5i h ARG 58 Ca -0.19 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 1x5i h ARG 58 Cb 1.12 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1x5i h ARG 58 CO 0.30 1.12 0.00 0.41 0.56 0.00 0.00 179.97 182.36 1x5i n GLY 59 N 1.63 1.20 2.95 0.04 0.00 -1.03 -2.16 105.19 107.82 1x5i n GLY 59 Ca -0.19 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.52 0.27 -0.29 1.61 1.51 -1.19 -2.27 117.35 112.46 1x5i s TYR 60 Ca 0.00 -0.26 -0.10 0.00 -1.01 0.00 0.00 57.07 55.70 1x5i s TYR 60 Cb 0.00 -0.18 -0.02 0.00 -0.11 0.00 0.00 41.96 41.65 1x5i s TYR 60 CO 0.00 -0.07 0.16 0.00 -1.11 0.00 0.00 175.55 174.53 1x5i s ALA 61 N -0.69 3.36 -0.18 3.71 0.00 -0.86 -3.54 121.76 123.55 1x5i s ALA 61 Ca -0.06 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 1x5i s ALA 61 Cb -0.05 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1x5i s ALA 61 CO -0.00 -0.73 0.38 0.42 0.00 0.00 0.00 175.76 175.83 1x5i s ILE 62 N 1.67 5.22 -0.19 0.00 1.01 -1.16 -2.66 121.20 125.09 1x5i s ILE 62 Ca 0.06 0.70 -0.00 0.00 0.00 0.00 0.00 60.65 61.41 1x5i s ILE 62 Cb -0.16 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.60 1x5i s ILE 62 CO 0.08 0.29 -0.16 -0.83 0.00 0.00 0.00 174.94 174.32 1x5i s GLY 63 N 0.87 1.45 0.09 6.18 0.00 0.04 -2.16 107.32 113.79 1x5i s GLY 63 Ca 0.19 -1.23 0.06 0.00 0.00 0.00 0.00 44.72 43.74 1x5i s GLY 63 CO 0.07 0.33 -0.16 -2.52 0.00 0.00 0.00 173.10 170.82 1x5i s TYR 64 N 1.33 1.41 0.00 1.90 1.13 -1.10 0.10 117.35 122.12 1x5i s TYR 64 Ca 0.05 -0.46 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 1x5i s TYR 64 Cb -0.14 -0.77 0.00 0.00 -1.10 0.00 0.00 41.96 39.95 1x5i s TYR 64 CO -0.10 0.11 0.00 0.41 -2.51 0.00 0.00 175.55 173.46 1x5i n GLY 65 N 1.09 3.14 3.67 5.49 0.00 -1.22 -2.71 105.19 114.65 1x5i n GLY 65 Ca -0.20 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.33 1x5i n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5i n ILE 66 N -0.41 0.67 0.00 -0.61 5.41 -1.26 -2.58 119.36 120.58 1x5i n ILE 66 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1x5i n ILE 66 Cb 0.00 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 36.84 1x5i n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x5i n GLY 67 N 4.48 2.10 2.87 7.39 0.00 -1.26 -4.89 105.19 115.88 1x5i n GLY 67 Ca 0.21 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.00 0.00 1.61 0.01 -1.07 -4.90 113.70 109.35 1x5i s SER 68 Ca 0.00 0.02 0.14 0.00 1.31 0.00 0.00 55.95 57.42 1x5i s SER 68 Cb 0.00 0.01 0.86 0.00 0.21 0.00 0.00 66.02 67.10 1x5i s SER 68 CO 0.00 -0.01 1.28 -0.81 0.41 0.00 0.00 173.24 174.10 1x5i n PRO 69 N 3.17 0.48 -0.77 12.44 -0.04 -1.25 -3.75 135.00 145.28 1x5i n PRO 69 Ca -0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.24 1x5i n PRO 69 Cb 0.59 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 1x5i n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x5i n HIS 70 N -0.97 0.57 -0.07 0.54 8.25 -1.26 -3.72 115.22 118.56 1x5i n HIS 70 Ca 0.11 -1.43 -0.15 0.00 -0.26 0.00 0.00 57.72 55.99 1x5i n HIS 70 Cb 0.05 -0.88 -0.05 0.00 1.12 0.00 0.00 29.99 30.23 1x5i n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5i n ALA 71 N 1.29 1.93 -3.25 -1.41 0.00 -1.24 -5.07 120.51 112.76 1x5i n ALA 71 Ca 0.19 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 1x5i n ALA 71 Cb 0.59 0.26 -0.09 0.00 0.00 0.00 0.00 19.45 20.21 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 -2.34 0.63 -0.04 0.00 -0.21 -1.10 -5.05 119.66 111.55 1x5i s GLN 72 Ca -0.21 -0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.14 1x5i s GLN 72 Cb 0.07 0.28 0.01 0.00 1.00 0.00 0.00 33.01 34.37 1x5i s GLN 72 CO 0.27 -0.16 -0.10 0.99 -2.12 0.00 0.00 175.29 174.17 1x5i s THR 73 N -1.04 0.91 -0.26 -0.19 2.01 -1.26 -2.70 115.64 113.11 1x5i s THR 73 Ca -0.11 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1x5i s THR 73 Cb -0.05 -0.83 0.06 0.00 0.01 0.00 0.00 72.50 71.70 1x5i s THR 73 CO 0.04 0.29 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.52 1x5i s ILE 74 N 0.44 2.15 -0.16 1.82 1.01 -0.92 -4.96 121.20 120.58 1x5i s ILE 74 Ca -0.08 -1.62 -0.20 0.00 0.00 0.00 0.00 60.65 58.75 1x5i s ILE 74 Cb -0.12 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 1x5i s ILE 74 CO 0.02 -0.03 0.56 -0.54 0.00 0.00 0.00 174.94 174.95 1x5i s LYS 75 N 1.11 4.26 0.06 2.79 1.02 -1.26 -2.98 119.74 124.74 1x5i s LYS 75 Ca -0.09 0.54 0.01 0.00 0.02 0.00 0.00 55.97 56.46 1x5i s LYS 75 Cb -0.20 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 1x5i s LYS 75 CO -0.05 -0.08 -0.06 0.14 -0.92 0.00 0.00 175.35 174.37 1x5i s VAL 76 N 1.39 0.53 1.03 3.17 -7.23 -1.23 -5.06 120.40 113.00 1x5i s VAL 76 Ca 0.27 -1.48 -0.11 0.00 -1.81 0.00 0.00 61.98 58.85 1x5i s VAL 76 Cb -0.16 -1.10 0.21 0.00 0.56 0.00 0.00 36.38 35.90 1x5i s VAL 76 CO 0.11 -0.65 1.09 -1.81 -0.31 0.00 0.00 175.10 173.53 1x5i s ASP 77 N -2.29 2.00 0.10 4.85 1.11 -1.26 -3.19 116.67 118.00 1x5i s ASP 77 Ca -0.00 1.88 -0.22 0.00 0.18 0.00 0.00 52.55 54.39 1x5i s ASP 77 Cb -0.02 -2.45 -0.11 0.00 1.07 0.00 0.00 42.92 41.41 1x5i s ASP 77 CO -0.03 -3.63 1.73 0.10 1.18 0.00 0.00 175.17 174.53 1x5i h TYR 78 N -2.23 -0.02 -0.70 4.23 -0.00 -1.75 -2.80 116.97 113.70 1x5i h TYR 78 Ca -0.52 0.01 0.15 0.00 -0.00 0.00 0.00 58.73 58.37 1x5i h TYR 78 Cb 1.30 0.02 -0.13 0.00 -0.00 0.00 0.00 36.73 37.92 1x5i h TYR 78 CO 0.39 -0.02 -0.13 1.63 -0.00 0.00 0.00 178.16 180.03 1x5i n LYS 79 N -5.12 -0.06 -1.62 0.10 4.76 -1.26 -4.28 118.16 110.68 1x5i n LYS 79 Ca -0.05 1.09 -0.55 0.00 -2.87 0.00 0.00 58.31 55.93 1x5i n LYS 79 Cb 0.06 -1.65 -0.07 0.00 -1.84 0.00 0.00 35.03 31.53 1x5i n LYS 79 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1x5i n GLN 80 N -5.10 1.23 0.04 1.97 1.13 -1.06 -4.84 117.38 110.74 1x5i n GLN 80 Ca 0.13 0.42 -0.18 0.00 -1.94 0.00 0.00 57.00 55.43 1x5i n GLN 80 Cb 0.40 -2.25 -0.14 0.00 0.11 0.00 0.00 30.24 28.36 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 8.94 0.25 -4.03 -1.09 1.12 -1.89 -3.49 114.38 114.19 1x5i h ARG 81 Ca -0.40 -0.43 -0.13 0.00 -1.11 0.00 0.00 59.98 57.91 1x5i h ARG 81 Cb 1.32 0.16 -0.12 0.00 -0.01 0.00 0.00 29.97 31.32 1x5i h ARG 81 CO 0.98 1.10 -0.33 1.52 -3.11 0.00 0.00 179.97 180.14 1x5i s TYR 82 N -2.59 0.67 -0.03 2.20 1.13 -1.26 -2.10 117.35 115.36 1x5i s TYR 82 Ca -0.14 -0.98 -0.01 0.00 -1.41 0.00 0.00 57.07 54.54 1x5i s TYR 82 Cb 0.07 -0.12 0.03 0.00 -1.10 0.00 0.00 41.96 40.84 1x5i s TYR 82 CO 0.82 -0.83 0.06 -0.47 -2.51 0.00 0.00 175.55 172.62 1x5i s TYR 83 N -4.07 -0.02 -0.63 -3.49 6.14 0.12 -4.96 117.35 110.44 1x5i s TYR 83 Ca 0.28 0.23 -0.19 0.00 0.64 0.00 0.00 57.07 58.03 1x5i s TYR 83 Cb 0.03 -0.20 0.11 0.00 0.42 0.00 0.00 41.96 42.31 1x5i s TYR 83 CO 0.09 -0.11 0.76 0.99 0.64 0.00 0.00 175.55 177.92 1x5i s THR 84 N 1.12 4.80 -0.70 4.34 2.01 -1.26 0.17 115.64 126.12 1x5i s THR 84 Ca -0.09 -1.03 -0.27 0.00 0.31 0.00 0.00 61.69 60.61 1x5i s THR 84 Cb -0.13 -4.53 0.02 0.00 0.01 0.00 0.00 72.50 67.87 1x5i s THR 84 CO -0.04 -1.18 1.41 -0.63 -0.69 0.00 0.00 174.62 173.49 1x5i s ILE 85 N 2.72 3.65 0.61 1.82 1.01 -0.19 -4.82 121.20 126.01 1x5i s ILE 85 Ca 0.14 0.38 0.04 0.00 0.00 0.00 0.00 60.65 61.21 1x5i s ILE 85 Cb -0.22 -4.68 0.09 0.00 0.01 0.00 0.00 42.46 37.66 1x5i s ILE 85 CO 0.05 -1.61 0.85 -1.61 0.00 0.00 0.00 174.94 172.61 1x5i s GLU 86 N 6.00 2.14 -0.75 2.79 2.02 -1.26 -1.37 118.70 128.27 1x5i s GLU 86 Ca 0.43 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.16 1x5i s GLU 86 Cb -0.09 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1x5i s GLU 86 CO 0.17 -1.02 0.63 0.09 0.02 0.00 0.00 175.26 175.15 1x5i n ASN 87 N -2.46 -2.46 -4.61 -0.19 3.02 -1.11 -4.96 115.26 102.50 1x5i n ASN 87 Ca 0.13 -0.37 -0.25 0.00 -0.03 0.00 0.00 54.58 54.06 1x5i n ASN 87 Cb 0.61 -3.33 -0.09 0.00 -0.61 0.00 0.00 39.78 36.36 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 -4.70 2.89 -0.20 3.41 1.43 -1.13 -5.06 118.68 115.31 1x5i s LEU 88 Ca 0.06 -1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 51.85 1x5i s LEU 88 Cb -0.03 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 1x5i s LEU 88 CO 0.45 -0.27 0.54 -1.81 0.23 0.00 0.00 176.35 175.49 1x5i s ASP 89 N -3.69 6.59 0.41 2.29 1.01 -1.26 -4.67 116.67 117.35 1x5i s ASP 89 Ca 0.34 0.71 -0.25 0.00 0.71 0.00 0.00 52.55 54.07 1x5i s ASP 89 Cb 0.02 -2.31 -0.08 0.00 1.01 0.00 0.00 42.92 41.57 1x5i s ASP 89 CO 0.18 -0.20 1.19 -2.16 0.21 0.00 0.00 175.17 174.39 1x5i s PRO 90 N 1.68 3.99 -0.68 8.23 0.04 -1.24 -3.65 135.00 143.37 1x5i s PRO 90 Ca 0.25 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 1x5i s PRO 90 Cb -0.16 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1x5i s PRO 90 CO 0.10 -0.38 0.58 0.45 0.04 0.00 0.00 177.00 177.79 1x5i n SER 91 N -0.02 -3.37 -3.86 6.66 2.88 0.46 -4.76 113.62 111.61 1x5i n SER 91 Ca 0.05 -0.30 -0.12 0.00 -1.33 0.00 0.00 58.87 57.17 1x5i n SER 91 Cb 0.46 -2.90 -0.13 0.00 -0.75 0.00 0.00 64.21 60.90 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 -3.39 -0.03 0.07 -3.46 0.01 -1.20 -4.93 113.70 100.77 1x5i s SER 92 Ca 0.18 0.03 -0.30 0.00 1.31 0.00 0.00 55.95 57.18 1x5i s SER 92 Cb -0.08 0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.25 1x5i s SER 92 CO 0.38 -0.09 0.98 -2.28 0.41 0.00 0.00 173.24 172.64 1x5i s HIS 93 N -0.27 3.74 -0.05 2.43 2.46 -1.26 -1.26 115.29 121.08 1x5i s HIS 93 Ca -0.03 1.75 0.02 0.00 0.47 0.00 0.00 55.06 57.26 1x5i s HIS 93 Cb -0.02 -3.10 0.01 0.00 -0.13 0.00 0.00 32.58 29.34 1x5i s HIS 93 CO 0.00 0.06 -0.10 0.71 -2.47 0.00 0.00 174.74 172.94 1x5i s TYR 94 N 0.40 1.21 -0.48 3.88 1.51 -0.10 -4.23 117.35 119.54 1x5i s TYR 94 Ca 0.49 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 56.00 1x5i s TYR 94 Cb -0.23 -0.90 0.07 0.00 -0.11 0.00 0.00 41.96 40.80 1x5i s TYR 94 CO 0.29 -0.20 0.45 0.08 -1.11 0.00 0.00 175.55 175.06 1x5i s VAL 95 N 0.54 5.16 0.02 0.71 1.01 -1.16 -2.44 120.40 124.24 1x5i s VAL 95 Ca -0.10 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 1x5i s VAL 95 Cb -0.13 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 1x5i s VAL 95 CO 0.02 -0.64 0.48 -0.63 0.00 0.00 0.00 175.10 174.33 1x5i s ILE 96 N 1.84 4.92 0.14 2.22 1.09 -1.24 -3.42 121.20 126.75 1x5i s ILE 96 Ca 0.06 1.00 0.05 0.00 -1.10 0.00 0.00 60.65 60.66 1x5i s ILE 96 Cb -0.24 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.33 1x5i s ILE 96 CO 0.07 0.55 -0.11 0.42 -0.10 0.00 0.00 174.94 175.78 1x5i s THR 97 N -0.96 1.16 -0.16 2.92 -4.23 0.28 -1.38 115.64 113.28 1x5i s THR 97 Ca 0.26 -1.94 -0.10 0.00 -1.18 0.00 0.00 61.69 58.74 1x5i s THR 97 Cb -0.18 -1.71 0.05 0.00 1.34 0.00 0.00 72.50 72.00 1x5i s THR 97 CO 0.15 -0.66 0.39 -0.22 -0.54 0.00 0.00 174.62 173.74 1x5i s LEU 98 N -2.93 0.12 -0.03 4.79 2.96 -1.23 -0.78 118.68 121.57 1x5i s LEU 98 Ca 0.14 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.88 1x5i s LEU 98 Cb 0.00 1.28 0.02 0.00 0.50 0.00 0.00 46.19 47.99 1x5i s LEU 98 CO 0.01 -0.18 -0.03 -1.59 -1.32 0.00 0.00 176.35 173.25 1x5i s LYS 99 N 1.07 0.56 -0.15 1.98 -2.85 -1.09 -0.75 119.74 118.51 1x5i s LYS 99 Ca -0.07 -0.05 -0.25 0.00 -1.00 0.00 0.00 55.97 54.60 1x5i s LYS 99 Cb -0.07 -0.62 -0.02 0.00 -2.06 0.00 0.00 37.83 35.06 1x5i s LYS 99 CO -0.09 -0.07 0.81 0.00 0.10 0.00 0.00 175.35 176.10 1x5i s ALA 100 N 0.77 3.49 0.03 0.59 0.00 -1.26 -2.04 121.76 123.34 1x5i s ALA 100 Ca -0.09 0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1x5i s ALA 100 Cb -0.12 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1x5i s ALA 100 CO -0.01 -0.57 -0.09 -0.59 0.00 0.00 0.00 175.76 174.50 1x5i s PHE 101 N 1.95 0.81 0.19 0.00 -0.71 -0.96 -1.25 117.98 118.00 1x5i s PHE 101 Ca 0.38 -0.37 0.03 0.00 -1.04 0.00 0.00 56.93 55.93 1x5i s PHE 101 Cb -0.17 -0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 41.15 1x5i s PHE 101 CO 0.13 -0.03 0.10 0.27 -1.34 0.00 0.00 175.22 174.36 1x5i n ASN 102 N 1.89 0.46 0.05 1.98 6.94 0.12 -2.48 115.26 124.22 1x5i n ASN 102 Ca -0.19 -2.08 0.21 0.00 -0.02 0.00 0.00 54.58 52.50 1x5i n ASN 102 Cb 0.55 0.65 0.62 0.00 -2.36 0.00 0.00 39.78 39.24 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 0.89 0.00 0.00 0.53 -1.24 -1.96 0.66 115.58 114.46 1x5i h ASN 103 Ca -0.14 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.87 1x5i h ASN 103 Cb 0.60 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.65 1x5i h ASN 103 CO 0.21 0.00 -0.01 0.58 -1.29 0.00 0.00 177.43 176.92 1x5i h VAL 104 N 0.00 1.77 0.00 2.57 2.07 -1.88 -3.51 116.25 117.28 1x5i h VAL 104 Ca 0.24 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.43 1x5i h VAL 104 Cb 1.62 3.35 0.00 0.00 -1.52 0.00 0.00 31.29 34.74 1x5i h VAL 104 CO -0.00 0.60 0.00 0.61 0.02 0.00 0.00 177.57 178.80 1x5i n GLY 105 N 1.61 -1.26 3.68 2.17 0.00 0.22 -4.91 105.19 106.69 1x5i n GLY 105 Ca -0.10 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.27 2.76 0.00 1.61 4.04 -1.26 0.10 118.70 124.68 1x5i s GLU 106 Ca 0.00 -0.63 0.00 0.00 0.04 0.00 0.00 54.97 54.38 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 0.62 0.00 0.41 -1.84 0.00 0.00 175.26 174.45 1x5i n GLY 107 N 1.34 1.05 3.56 -3.83 0.00 -0.38 -4.95 105.19 101.99 1x5i n GLY 107 Ca -0.14 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 2.49 4.45 1.09 -0.61 -0.00 -1.26 -4.90 121.20 122.46 1x5i s ILE 108 Ca 0.00 -0.15 -0.15 0.00 -0.00 0.00 0.00 60.65 60.35 1x5i s ILE 108 Cb 0.00 -3.00 0.24 0.00 -0.00 0.00 0.00 42.46 39.69 1x5i s ILE 108 CO 0.00 0.45 1.10 -2.16 -0.00 0.00 0.00 174.94 174.33 1x5i s PRO 109 N 0.57 -0.35 0.27 0.37 0.04 -1.26 -4.11 135.00 130.53 1x5i s PRO 109 Ca 0.01 0.25 0.11 0.00 0.04 0.00 0.00 61.00 61.42 1x5i s PRO 109 Cb -0.13 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1x5i s PRO 109 CO 0.02 -3.20 -0.14 -0.51 0.04 0.00 0.00 177.00 173.21 1x5i s LEU 110 N -6.69 2.79 -0.18 -3.56 1.43 0.07 -4.87 118.68 107.67 1x5i s LEU 110 Ca 0.68 -0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1x5i s LEU 110 Cb -0.15 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.76 1x5i s LEU 110 CO 0.57 0.03 -0.15 -0.31 0.23 0.00 0.00 176.35 176.72 1x5i s TYR 111 N -2.40 2.81 0.38 0.29 1.51 -1.26 -3.54 117.35 115.14 1x5i s TYR 111 Ca 0.30 -1.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.12 1x5i s TYR 111 Cb -0.06 -1.95 -0.06 0.00 -0.11 0.00 0.00 41.96 39.79 1x5i s TYR 111 CO 0.16 -0.64 0.05 -1.21 -1.11 0.00 0.00 175.55 172.81 1x5i s GLU 112 N 1.16 1.83 -0.04 -0.62 8.01 -0.48 -5.02 118.70 123.54 1x5i s GLU 112 Ca 0.01 -2.06 -0.02 0.00 0.01 0.00 0.00 54.97 52.92 1x5i s GLU 112 Cb -0.14 -1.07 0.02 0.00 -4.31 0.00 0.00 34.13 28.63 1x5i s GLU 112 CO -0.06 -0.22 0.09 -1.54 0.01 0.00 0.00 175.26 173.53 1x5i s SER 113 N -3.60 -0.06 -0.30 -0.19 1.04 -1.26 -3.63 113.70 105.70 1x5i s SER 113 Ca 0.31 0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.79 1x5i s SER 113 Cb 0.07 0.12 0.13 0.00 0.10 0.00 0.00 66.02 66.44 1x5i s SER 113 CO 0.15 -0.08 0.70 0.00 0.98 0.00 0.00 173.24 174.98 1x5i s ALA 114 N 0.60 -2.11 -0.44 5.32 0.00 -1.02 -4.97 121.76 119.14 1x5i s ALA 114 Ca -0.05 2.32 -0.12 0.00 0.00 0.00 0.00 51.96 54.12 1x5i s ALA 114 Cb -0.06 -1.76 0.07 0.00 0.00 0.00 0.00 23.12 21.36 1x5i s ALA 114 CO -0.02 -0.85 0.31 0.08 0.00 0.00 0.00 175.76 175.29 1x5i s VAL 115 N 2.64 4.70 0.18 0.00 1.01 -1.26 -0.92 120.40 126.75 1x5i s VAL 115 Ca -0.06 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.40 1x5i s VAL 115 Cb -0.10 -3.82 -0.16 0.00 0.00 0.00 0.00 36.38 32.30 1x5i s VAL 115 CO -0.19 -0.52 0.94 0.35 0.00 0.00 0.00 175.10 175.69 1x5i n THR 116 N 5.05 1.33 -1.68 3.92 -2.24 -0.39 -4.76 114.28 115.51 1x5i n THR 116 Ca -0.11 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 1x5i n THR 116 Cb 0.43 -0.54 0.06 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.76 2.60 0.12 -0.78 0.52 -1.26 -0.40 118.95 119.00 1x5i s ARG 117 Ca 0.70 1.55 -0.31 0.00 -0.52 0.00 0.00 55.73 57.15 1x5i s ARG 117 Cb -0.89 -1.91 -0.08 0.00 0.52 0.00 0.00 34.95 32.59 1x5i s ARG 117 CO 0.56 -1.43 1.35 -1.25 0.02 0.00 0.00 175.30 174.55 1x5i s PRO 118 N -3.95 4.34 0.38 3.54 0.04 -1.26 -2.32 135.00 135.77 1x5i s PRO 118 Ca 0.70 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.51 1x5i s PRO 118 Cb -0.24 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 30.96 1x5i s PRO 118 CO 0.42 -0.39 1.32 -1.58 0.04 0.00 0.00 177.00 176.81 1x5i s HIS 119 N 0.94 2.87 0.36 0.56 2.46 -1.26 -4.92 115.29 116.30 1x5i s HIS 119 Ca 0.63 1.39 0.06 0.00 0.47 0.00 0.00 55.06 57.61 1x5i s HIS 119 Cb -0.36 -3.70 -0.07 0.00 -0.13 0.00 0.00 32.58 28.32 1x5i s HIS 119 CO 0.31 -2.09 0.01 0.95 -2.47 0.00 0.00 174.74 171.46 1x5i s THR 120 N -1.21 1.71 -0.06 0.89 -4.23 -1.26 -5.11 115.64 106.37 1x5i s THR 120 Ca 0.54 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1x5i s THR 120 Cb -0.39 -2.86 0.01 0.00 1.34 0.00 0.00 72.50 70.60 1x5i s THR 120 CO 0.51 -0.04 -0.12 -0.44 -0.54 0.00 0.00 174.62 174.00 1x5i s SER 121 N -3.60 1.70 -0.12 3.99 0.01 -1.26 -5.11 113.70 109.31 1x5i s SER 121 Ca 0.35 -0.28 -0.29 0.00 1.31 0.00 0.00 55.95 57.03 1x5i s SER 121 Cb 0.09 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 1x5i s SER 121 CO 0.17 0.03 1.49 -0.83 0.41 0.00 0.00 173.24 174.50 1x5i s GLY 122 N 0.64 1.54 0.25 3.44 0.00 -1.26 -4.98 107.32 106.95 1x5i s GLY 122 Ca -0.14 0.67 -0.30 0.00 0.00 0.00 0.00 44.72 44.96 1x5i s GLY 122 CO 0.03 2.81 1.26 2.56 0.00 0.00 0.00 173.10 179.77 1x5i s PRO 123 N 3.91 4.43 0.52 2.90 0.04 -1.26 -5.02 135.00 140.51 1x5i s PRO 123 Ca 0.65 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.59 1x5i s PRO 123 Cb -0.27 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 1x5i s PRO 123 CO 0.23 -0.14 0.97 0.45 0.04 0.00 0.00 177.00 178.55 1x5i s SER 124 N -0.15 6.55 0.30 6.66 0.15 -1.26 -4.94 113.70 121.02 1x5i s SER 124 Ca 0.52 1.49 0.02 0.00 0.70 0.00 0.00 55.95 58.68 1x5i s SER 124 Cb -0.36 -2.48 0.74 0.00 -1.71 0.00 0.00 66.02 62.21 1x5i s SER 124 CO 0.43 -0.61 1.53 -1.54 1.20 0.00 0.00 173.24 174.25 1x5i n SER 125 N -1.72 -0.12 0.00 5.45 3.41 -1.26 -5.34 113.62 114.05 1x5i n SER 125 Ca 0.06 1.66 0.00 0.00 -0.26 0.00 0.00 58.87 60.33 1x5i n SER 125 Cb 0.54 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1x5i n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49