#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 0.36 -4.51 1.61 4.64 -2.15 -3.42 113.55 110.08 1x5i h SER 2 Ca 0.00 0.08 -0.47 0.00 -0.47 0.00 0.00 61.79 60.93 1x5i h SER 2 Cb 0.00 0.03 0.11 0.00 -0.31 0.00 0.00 62.40 62.22 1x5i h SER 2 CO 0.00 0.19 0.38 -0.55 -0.87 0.00 0.00 176.83 175.98 1x5i s SER 3 N -5.43 4.31 0.00 4.97 0.15 -1.26 -5.08 113.70 111.37 1x5i s SER 3 Ca -0.13 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1x5i s SER 3 Cb 0.18 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1x5i s SER 3 CO 0.76 -2.04 0.00 0.61 1.20 0.00 0.00 173.24 173.77 1x5i n GLY 4 N -2.99 3.74 3.39 9.45 0.00 -1.26 -5.16 105.19 112.35 1x5i n GLY 4 Ca 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1x5i n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5i s SER 5 N 0.00 -0.54 -0.10 1.61 0.15 -1.26 -5.07 113.70 108.50 1x5i s SER 5 Ca 0.00 1.18 -0.00 0.00 0.70 0.00 0.00 55.95 57.82 1x5i s SER 5 Cb 0.00 1.65 -0.00 0.00 -1.71 0.00 0.00 66.02 65.96 1x5i s SER 5 CO 0.00 -0.23 0.02 0.28 1.20 0.00 0.00 173.24 174.51 1x5i h SER 6 N 8.11 -0.01 0.00 5.45 0.02 -2.07 -3.50 113.55 121.55 1x5i h SER 6 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1x5i h SER 6 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1x5i h SER 6 CO 0.11 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.88 1x5i n GLY 7 N 1.74 1.04 3.77 -3.77 0.00 -1.26 -5.12 105.19 101.59 1x5i n GLY 7 Ca -0.00 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1x5i n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5i s PRO 8 N -0.12 2.63 0.30 1.61 0.04 -1.26 -5.06 135.00 133.14 1x5i s PRO 8 Ca 0.00 1.32 -0.05 0.00 0.04 0.00 0.00 61.00 62.31 1x5i s PRO 8 Cb 0.00 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1x5i s PRO 8 CO 0.00 -1.37 0.48 0.00 0.04 0.00 0.00 177.00 176.15 1x5i n ALA 9 N -2.76 -0.70 -3.60 8.56 0.00 -1.26 -5.16 120.51 115.59 1x5i n ALA 9 Ca 0.10 -1.21 -0.16 0.00 0.00 0.00 0.00 53.44 52.17 1x5i n ALA 9 Cb 0.52 0.97 -0.14 0.00 0.00 0.00 0.00 19.45 20.81 1x5i n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x5i s THR 10 N -2.57 -0.35 0.27 0.00 2.01 -1.26 -5.16 115.64 108.59 1x5i s THR 10 Ca 0.20 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.40 1x5i s THR 10 Cb -0.02 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1x5i s THR 10 CO 0.14 0.01 0.41 -1.81 -0.69 0.00 0.00 174.62 172.68 1x5i s ASP 11 N 2.36 6.26 -0.01 3.53 1.11 -1.26 -5.03 116.67 123.63 1x5i s ASP 11 Ca 0.04 0.10 -0.33 0.00 0.18 0.00 0.00 52.55 52.53 1x5i s ASP 11 Cb -0.13 -1.80 -0.11 0.00 1.07 0.00 0.00 42.92 41.94 1x5i s ASP 11 CO -0.09 -0.16 1.85 0.79 1.18 0.00 0.00 175.17 178.74 1x5i n TRP 12 N -1.50 2.39 -4.41 4.23 7.02 -1.26 -4.97 117.44 118.93 1x5i n TRP 12 Ca -0.07 -0.05 -0.20 0.00 -1.02 0.00 0.00 57.50 56.16 1x5i n TRP 12 Cb 0.57 -2.68 -0.10 0.00 -2.42 0.00 0.00 31.31 26.68 1x5i n TRP 12 CO 0.00 0.00 0.00 -0.48 -2.02 0.00 0.00 177.69 175.19 1x5i s LEU 13 N 3.53 2.25 -1.11 -0.99 2.34 -1.26 -5.06 118.68 118.38 1x5i s LEU 13 Ca 0.89 -1.29 -0.22 0.00 0.06 0.00 0.00 54.13 53.57 1x5i s LEU 13 Cb -0.62 -0.41 -0.01 0.00 -0.56 0.00 0.00 46.19 44.59 1x5i s LEU 13 CO 0.46 -0.52 1.78 -0.94 -1.06 0.00 0.00 176.35 176.07 1x5i s SER 14 N -3.43 5.83 0.32 1.48 1.04 -1.26 -4.96 113.70 112.73 1x5i s SER 14 Ca 0.33 -1.56 -0.28 0.00 0.48 0.00 0.00 55.95 54.92 1x5i s SER 14 Cb 0.07 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.52 1x5i s SER 14 CO 0.13 -2.18 1.12 0.00 0.98 0.00 0.00 173.24 173.29 1x5i s ALA 15 N 7.78 3.32 -0.52 5.32 0.00 -1.26 -4.96 121.76 131.44 1x5i s ALA 15 Ca 0.60 0.91 0.02 0.00 0.00 0.00 0.00 51.96 53.48 1x5i s ALA 15 Cb -0.01 -3.34 0.46 0.00 0.00 0.00 0.00 23.12 20.23 1x5i s ALA 15 CO 0.03 -0.27 1.71 -0.85 0.00 0.00 0.00 175.76 176.38 1x5i n GLU 16 N 0.75 3.03 -4.69 0.00 0.00 -1.26 -4.95 120.64 113.52 1x5i n GLU 16 Ca 0.01 -3.62 -0.28 0.00 0.00 0.00 0.00 57.16 53.27 1x5i n GLU 16 Cb 0.46 -2.28 -0.17 0.00 0.00 0.00 0.00 31.44 29.45 1x5i n GLU 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1x5i s THR 17 N -4.70 1.50 -0.11 3.84 2.01 -1.26 -5.12 115.64 111.79 1x5i s THR 17 Ca 0.59 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 1x5i s THR 17 Cb 0.47 -1.34 0.03 0.00 0.01 0.00 0.00 72.50 71.66 1x5i s THR 17 CO 0.01 0.44 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.97 1x5i s PHE 18 N 0.71 1.27 0.34 4.92 0.40 -1.26 -5.13 117.98 119.22 1x5i s PHE 18 Ca -0.13 -0.63 -0.19 0.00 -0.60 0.00 0.00 56.93 55.39 1x5i s PHE 18 Cb -0.16 -1.12 -0.10 0.00 0.51 0.00 0.00 43.02 42.16 1x5i s PHE 18 CO 0.03 -0.48 0.82 -1.21 0.70 0.00 0.00 175.22 175.08 1x5i s GLU 19 N 1.78 4.16 -0.57 0.44 2.02 -1.26 -4.96 118.70 120.32 1x5i s GLU 19 Ca 0.04 0.89 -0.05 0.00 0.02 0.00 0.00 54.97 55.87 1x5i s GLU 19 Cb -0.13 -2.46 -0.05 0.00 0.10 0.00 0.00 34.13 31.59 1x5i s GLU 19 CO -0.07 0.15 3.00 0.45 0.02 0.00 0.00 175.26 178.81 1x5i n SER 20 N -0.19 6.56 -2.48 -0.19 2.88 -1.26 -4.43 113.62 114.51 1x5i n SER 20 Ca 0.03 -2.90 -0.20 0.00 -1.33 0.00 0.00 58.87 54.47 1x5i n SER 20 Cb 0.53 -1.34 0.01 0.00 -0.75 0.00 0.00 64.21 62.66 1x5i n SER 20 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1x5i n ASP 21 N 1.79 3.69 -4.59 -3.46 -0.08 -1.26 -5.07 116.55 107.58 1x5i n ASP 21 Ca 0.52 -3.35 -0.25 0.00 -1.51 0.00 0.00 54.79 50.21 1x5i n ASP 21 Cb 0.59 -0.46 -0.09 0.00 2.34 0.00 0.00 41.12 43.50 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1x5i s LEU 22 N -3.46 2.88 -0.53 -2.67 2.01 -1.26 -5.08 118.68 110.57 1x5i s LEU 22 Ca 0.42 -1.00 -0.28 0.00 0.01 0.00 0.00 54.13 53.28 1x5i s LEU 22 Cb 0.41 -1.28 0.01 0.00 0.01 0.00 0.00 46.19 45.34 1x5i s LEU 22 CO -0.09 -0.15 1.46 -0.62 1.01 0.00 0.00 176.35 177.96 1x5i s ASP 23 N -3.65 6.10 -0.24 2.29 -1.08 0.16 -4.83 116.67 115.41 1x5i s ASP 23 Ca 0.33 0.41 0.14 0.00 -0.52 0.00 0.00 52.55 52.91 1x5i s ASP 23 Cb -0.01 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.37 1x5i s ASP 23 CO 0.18 -1.71 1.17 1.21 0.52 0.00 0.00 175.17 176.54 1x5i n GLU 24 N 8.59 2.45 -0.00 4.34 2.13 -1.26 -1.38 120.64 135.51 1x5i n GLU 24 Ca 0.14 -3.65 0.04 0.00 0.66 0.00 0.00 57.16 54.35 1x5i n GLU 24 Cb 0.49 -1.78 -0.06 0.00 0.27 0.00 0.00 31.44 30.36 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 -0.63 0.00 -4.19 6.31 -2.24 -1.26 -4.77 114.28 107.49 1x5i n THR 25 Ca 0.26 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 1x5i n THR 25 Cb 0.90 0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 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 -2.30 0.90 0.59 -0.78 1.70 -1.26 -5.00 118.95 112.80 1x5i s ARG 26 Ca -0.01 -1.27 -0.17 0.00 -0.47 0.00 0.00 55.73 53.82 1x5i s ARG 26 Cb 0.06 -0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 33.92 1x5i s ARG 26 CO 0.36 0.06 1.10 0.14 -1.08 0.00 0.00 175.30 175.89 1x5i s VAL 27 N -2.89 3.36 -0.46 4.99 -7.23 -1.26 -4.79 120.40 112.11 1x5i s VAL 27 Ca 0.09 0.72 -0.28 0.00 -1.81 0.00 0.00 61.98 60.71 1x5i s VAL 27 Cb 0.00 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.69 1x5i s VAL 27 CO -0.01 -0.31 1.78 -2.16 -0.31 0.00 0.00 175.10 174.09 1x5i s PRO 28 N -3.75 3.05 0.72 4.82 0.04 -1.26 -4.85 135.00 133.78 1x5i s PRO 28 Ca 0.68 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 1x5i s PRO 28 Cb -0.21 -4.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.05 1x5i s PRO 28 CO 0.34 -2.20 0.66 0.39 0.04 0.00 0.00 177.00 176.23 1x5i n GLU 29 N 8.72 0.35 -0.95 4.56 1.02 -1.26 -3.57 120.64 129.51 1x5i n GLU 29 Ca 0.21 0.16 -0.33 0.00 -0.02 0.00 0.00 57.16 57.18 1x5i n GLU 29 Cb 0.49 -1.95 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1x5i n VAL 30 N -2.43 1.16 -1.14 2.62 3.14 -1.26 -4.85 118.33 115.57 1x5i n VAL 30 Ca 0.11 -0.29 -0.29 0.00 -2.96 0.00 0.00 64.34 60.91 1x5i n VAL 30 Cb 0.50 0.00 0.19 0.00 -1.06 0.00 0.00 33.84 33.47 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 -0.58 0.02 0.19 1.45 0.04 -1.26 -4.84 135.00 130.01 1x5i s PRO 31 Ca 0.46 0.38 -0.13 0.00 0.04 0.00 0.00 61.00 61.75 1x5i s PRO 31 Cb -0.66 -1.70 0.20 0.00 0.04 0.00 0.00 34.50 32.38 1x5i s PRO 31 CO 0.38 -2.98 1.71 0.77 0.04 0.00 0.00 177.00 176.92 1x5i h SER 32 N -2.07 -0.02 -1.35 6.66 0.02 -1.71 -3.47 113.55 111.61 1x5i h SER 32 Ca -0.53 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 60.67 1x5i h SER 32 Cb 1.33 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 1x5i h SER 32 CO 0.53 0.02 0.44 -0.24 -1.14 0.00 0.00 176.83 176.45 1x5i n SER 33 N -5.12 -0.73 -3.50 3.07 2.88 -1.26 -5.04 113.62 103.91 1x5i n SER 33 Ca 0.06 -1.24 -0.11 0.00 -1.33 0.00 0.00 58.87 56.25 1x5i n SER 33 Cb 0.25 1.15 -0.10 0.00 -0.75 0.00 0.00 64.21 64.77 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 -0.50 0.04 2.46 2.96 -1.26 -3.30 118.68 119.09 1x5i s LEU 34 Ca 0.15 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1x5i s LEU 34 Cb -0.01 0.99 -0.04 0.00 0.50 0.00 0.00 46.19 47.63 1x5i s LEU 34 CO 0.01 -0.28 0.23 -2.28 -1.32 0.00 0.00 176.35 172.71 1x5i s HIS 35 N 2.51 3.53 0.00 5.38 5.65 0.40 -4.95 115.29 127.81 1x5i s HIS 35 Ca 0.07 0.37 -0.02 0.00 0.25 0.00 0.00 55.06 55.73 1x5i s HIS 35 Cb -0.14 -1.85 -0.01 0.00 -1.18 0.00 0.00 32.58 29.41 1x5i s HIS 35 CO -0.13 0.59 0.03 0.14 -0.65 0.00 0.00 174.74 174.72 1x5i s VAL 36 N -1.45 0.06 -0.24 0.89 -7.23 -1.26 0.10 120.40 111.27 1x5i s VAL 36 Ca 0.33 -0.46 -0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1x5i s VAL 36 Cb -0.13 -0.20 0.07 0.00 0.56 0.00 0.00 36.38 36.68 1x5i s VAL 36 CO 0.23 -0.25 0.00 -0.60 -0.31 0.00 0.00 175.10 174.17 1x5i s ARG 37 N -0.77 1.18 -0.02 4.82 3.52 -0.28 -4.95 118.95 122.45 1x5i s ARG 37 Ca -0.09 -0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 54.34 1x5i s ARG 37 Cb -0.05 -2.39 -0.05 0.00 -1.56 0.00 0.00 34.95 30.90 1x5i s ARG 37 CO -0.00 -0.69 1.47 -1.25 -0.81 0.00 0.00 175.30 174.02 1x5i s PRO 38 N 1.54 4.25 0.18 5.12 0.04 -1.26 -0.98 135.00 143.89 1x5i s PRO 38 Ca -0.01 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.15 1x5i s PRO 38 Cb -0.18 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1x5i s PRO 38 CO -0.10 -0.66 -0.14 -0.51 0.04 0.00 0.00 177.00 175.63 1x5i s LEU 39 N 2.89 2.81 0.00 -3.56 1.02 0.17 -4.48 118.68 117.52 1x5i s LEU 39 Ca 0.66 -0.67 0.00 0.00 0.02 0.00 0.00 54.13 54.14 1x5i s LEU 39 Cb -0.32 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.39 1x5i s LEU 39 CO 0.26 0.11 0.58 0.52 0.02 0.00 0.00 176.35 177.84 1x5i n VAL 40 N 0.11 0.00 -1.17 -1.59 0.31 -1.26 -2.10 118.33 112.63 1x5i n VAL 40 Ca -0.11 0.87 0.09 0.00 -0.01 0.00 0.00 64.34 65.17 1x5i n VAL 40 Cb 0.56 -1.16 0.17 0.00 -0.91 0.00 0.00 33.84 32.50 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 -2.55 2.02 -4.03 2.52 -2.24 -1.26 -3.83 114.28 104.90 1x5i n THR 41 Ca 0.00 -2.43 -0.13 0.00 -2.27 0.00 0.00 64.05 59.22 1x5i n THR 41 Cb 0.00 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1x5i n THR 41 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x5i n SER 42 N -1.27 -1.02 -3.15 3.42 7.64 -0.89 -2.84 113.62 115.51 1x5i n SER 42 Ca 0.18 -2.62 0.04 0.00 1.01 0.00 0.00 58.87 57.48 1x5i n SER 42 Cb 0.69 1.96 -0.01 0.00 -1.01 0.00 0.00 64.21 65.84 1x5i n SER 42 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1x5i s ILE 43 N -2.82 -0.99 -0.80 0.44 1.01 0.01 0.43 121.20 118.48 1x5i s ILE 43 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.65 1x5i s ILE 43 Cb -0.00 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.50 1x5i s ILE 43 CO 0.19 0.00 1.35 -0.69 0.00 0.00 0.00 174.94 175.79 1x5i s VAL 44 N 2.85 3.74 -0.61 2.92 1.01 -0.16 -1.60 120.40 128.56 1x5i s VAL 44 Ca 0.17 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 1x5i s VAL 44 Cb -0.13 -4.89 0.05 0.00 0.00 0.00 0.00 36.38 31.41 1x5i s VAL 44 CO -0.23 -1.82 0.99 -0.69 0.00 0.00 0.00 175.10 173.36 1x5i s VAL 45 N 5.80 4.28 -0.22 2.92 1.01 0.18 -1.13 120.40 133.25 1x5i s VAL 45 Ca 0.39 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 1x5i s VAL 45 Cb -0.06 -4.63 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 1x5i s VAL 45 CO 0.10 -1.31 0.01 -0.44 0.00 0.00 0.00 175.10 173.45 1x5i s SER 46 N 3.22 4.81 0.29 3.32 0.01 0.12 -0.10 113.70 125.35 1x5i s SER 46 Ca 0.29 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.31 1x5i s SER 46 Cb -0.13 -1.83 -0.00 0.00 0.21 0.00 0.00 66.02 64.26 1x5i s SER 46 CO 0.16 0.02 0.02 -2.67 0.41 0.00 0.00 173.24 171.18 1x5i n TRP 47 N 4.54 0.55 -4.01 2.43 2.14 -0.74 0.15 117.44 122.50 1x5i n TRP 47 Ca -0.17 -1.51 -0.08 0.00 2.07 0.00 0.00 57.50 57.80 1x5i n TRP 47 Cb 0.51 -0.15 -0.10 0.00 -0.81 0.00 0.00 31.31 30.76 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 -2.18 0.16 0.70 -1.67 -4.23 -1.21 -4.74 115.64 102.47 1x5i s THR 48 Ca 0.03 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.12 1x5i s THR 48 Cb 0.00 -0.88 0.02 0.00 1.34 0.00 0.00 72.50 72.98 1x5i s THR 48 CO 0.02 -0.71 1.10 -2.16 -0.54 0.00 0.00 174.62 172.34 1x5i s PRO 49 N -2.65 2.61 -0.03 3.99 0.04 -1.26 -4.14 135.00 133.57 1x5i s PRO 49 Ca -0.05 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 1x5i s PRO 49 Cb -0.01 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1x5i s PRO 49 CO -0.05 -1.39 1.46 -1.25 0.04 0.00 0.00 177.00 175.82 1x5i s PRO 50 N -4.37 4.24 0.46 0.56 0.04 -1.26 -3.56 135.00 131.11 1x5i s PRO 50 Ca 0.65 2.01 0.42 0.00 0.04 0.00 0.00 61.00 64.12 1x5i s PRO 50 Cb -0.19 -3.70 1.45 0.00 0.04 0.00 0.00 34.50 32.10 1x5i s PRO 50 CO 0.46 -0.67 1.32 0.39 0.04 0.00 0.00 177.00 178.54 1x5i n GLU 51 N 5.96 -0.00 -2.87 4.56 1.02 -1.26 -3.51 120.64 124.55 1x5i n GLU 51 Ca 0.14 0.92 -0.43 0.00 -0.02 0.00 0.00 57.16 57.78 1x5i n GLU 51 Cb 0.43 -2.11 -0.04 0.00 -0.02 0.00 0.00 31.44 29.70 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 -3.91 6.20 0.07 1.62 3.84 -1.26 -4.86 114.94 116.64 1x5i s ASN 52 Ca -0.04 -0.90 -0.02 0.00 0.21 0.00 0.00 52.86 52.11 1x5i s ASN 52 Cb 0.23 -2.42 -0.27 0.00 -0.55 0.00 0.00 41.25 38.24 1x5i s ASN 52 CO 0.75 -1.39 1.13 -0.61 -2.79 0.00 0.00 177.10 174.19 1x5i h GLN 53 N 9.51 0.22 -1.36 0.43 5.75 -1.99 -3.30 115.11 124.37 1x5i h GLN 53 Ca -0.28 -0.37 0.46 0.00 -0.15 0.00 0.00 58.65 58.31 1x5i h GLN 53 Cb 1.07 0.14 -0.13 0.00 1.07 0.00 0.00 27.48 29.63 1x5i h GLN 53 CO 1.16 1.16 0.88 0.09 -2.65 0.00 0.00 178.83 179.47 1x5i n ASN 54 N -3.48 0.19 -4.78 -0.69 4.13 -1.26 -4.33 115.26 105.04 1x5i n ASN 54 Ca -0.08 1.30 -0.36 0.00 1.68 0.00 0.00 54.58 57.12 1x5i n ASN 54 Cb 1.01 -0.64 -0.04 0.00 -1.54 0.00 0.00 39.78 38.57 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 -5.15 3.81 0.04 2.41 1.01 -1.25 0.36 121.20 122.43 1x5i s ILE 55 Ca -0.07 1.37 -0.15 0.00 0.00 0.00 0.00 60.65 61.80 1x5i s ILE 55 Cb 0.29 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.00 1x5i s ILE 55 CO 0.79 -0.01 0.45 -0.69 0.00 0.00 0.00 174.94 175.48 1x5i s VAL 56 N -1.70 4.97 -0.02 2.92 1.01 -0.48 -4.85 120.40 122.25 1x5i s VAL 56 Ca 0.58 0.85 0.01 0.00 0.00 0.00 0.00 61.98 63.41 1x5i s VAL 56 Cb -0.21 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1x5i s VAL 56 CO 0.26 0.50 -0.01 -0.69 0.00 0.00 0.00 175.10 175.16 1x5i s VAL 57 N -1.17 0.21 -0.23 2.92 1.01 -1.26 -4.55 120.40 117.32 1x5i s VAL 57 Ca 0.27 0.03 0.14 0.00 0.00 0.00 0.00 61.98 62.42 1x5i s VAL 57 Cb -0.17 -0.27 0.62 0.00 0.00 0.00 0.00 36.38 36.56 1x5i s VAL 57 CO 0.16 0.13 1.56 0.54 0.00 0.00 0.00 175.10 177.49 1x5i n ARG 58 N 3.87 3.26 0.00 2.72 5.12 -0.24 -4.78 116.66 126.61 1x5i n ARG 58 Ca -0.24 -2.99 0.00 0.00 -1.93 0.00 0.00 57.85 52.69 1x5i n ARG 58 Cb 0.52 -1.99 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 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 -0.35 1.00 3.32 -0.13 0.00 -1.22 -4.22 105.19 103.60 1x5i n GLY 59 Ca 0.28 -2.20 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.04 1.55 -0.29 1.61 1.51 -1.14 -1.41 117.35 118.14 1x5i s TYR 60 Ca 0.00 -0.78 -0.01 0.00 -1.01 0.00 0.00 57.07 55.27 1x5i s TYR 60 Cb 0.00 -0.84 0.05 0.00 -0.11 0.00 0.00 41.96 41.06 1x5i s TYR 60 CO 0.00 0.12 -0.01 0.00 -1.11 0.00 0.00 175.55 174.54 1x5i s ALA 61 N -3.25 2.78 -0.08 3.71 0.00 0.69 -3.32 121.76 122.29 1x5i s ALA 61 Ca 0.24 -1.72 -0.18 0.00 0.00 0.00 0.00 51.96 50.29 1x5i s ALA 61 Cb 0.03 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1x5i s ALA 61 CO 0.06 -1.21 0.49 0.42 0.00 0.00 0.00 175.76 175.52 1x5i s ILE 62 N 1.25 5.12 -0.11 0.00 1.01 -0.89 -2.76 121.20 124.83 1x5i s ILE 62 Ca -0.05 0.99 -0.01 0.00 0.00 0.00 0.00 60.65 61.59 1x5i s ILE 62 Cb -0.19 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.48 1x5i s ILE 62 CO -0.02 0.37 -0.06 -0.83 0.00 0.00 0.00 174.94 174.40 1x5i s GLY 63 N 0.28 0.77 0.26 6.18 0.00 0.25 -1.23 107.32 113.83 1x5i s GLY 63 Ca 0.27 -0.48 0.11 0.00 0.00 0.00 0.00 44.72 44.62 1x5i s GLY 63 CO 0.12 0.87 -0.20 -2.52 0.00 0.00 0.00 173.10 171.37 1x5i s TYR 64 N 1.75 2.23 0.00 1.90 1.13 -1.19 0.83 117.35 124.01 1x5i s TYR 64 Ca 0.05 -0.36 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 1x5i s TYR 64 Cb -0.13 -0.99 0.00 0.00 -1.10 0.00 0.00 41.96 39.75 1x5i s TYR 64 CO -0.08 0.66 0.00 0.41 -2.51 0.00 0.00 175.55 174.03 1x5i n GLY 65 N -0.48 3.20 3.48 5.49 0.00 -1.00 -3.26 105.19 112.61 1x5i n GLY 65 Ca -0.06 0.05 -0.50 0.00 0.00 0.00 0.00 46.02 45.50 1x5i n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5i n ILE 66 N 0.00 0.22 0.00 -0.61 5.41 -1.26 -2.11 119.36 121.01 1x5i n ILE 66 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.49 1x5i n ILE 66 Cb 0.00 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 1x5i n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x5i n GLY 67 N 6.30 1.65 3.07 7.39 0.00 -1.26 -4.84 105.19 117.50 1x5i n GLY 67 Ca 0.39 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 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 2.86 0.00 1.61 0.01 -1.03 -4.84 113.70 112.30 1x5i s SER 68 Ca 0.00 -0.55 0.15 0.00 1.31 0.00 0.00 55.95 56.86 1x5i s SER 68 Cb 0.00 -1.30 0.83 0.00 0.21 0.00 0.00 66.02 65.76 1x5i s SER 68 CO 0.00 -0.01 1.38 -0.81 0.41 0.00 0.00 173.24 174.21 1x5i n PRO 69 N 4.59 0.33 -0.77 12.44 -0.04 -1.24 -3.93 135.00 146.36 1x5i n PRO 69 Ca -0.19 0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.28 1x5i n PRO 69 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 1x5i n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x5i n HIS 70 N -1.16 0.00 -0.01 0.54 8.25 -1.26 -3.76 115.22 117.81 1x5i n HIS 70 Ca 0.09 -1.21 -0.05 0.00 -0.26 0.00 0.00 57.72 56.28 1x5i n HIS 70 Cb 0.09 -1.22 -0.02 0.00 1.12 0.00 0.00 29.99 29.97 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 2.31 2.51 -2.61 -1.41 0.00 -1.24 -5.09 120.51 114.98 1x5i n ALA 71 Ca 0.29 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 1x5i n ALA 71 Cb 0.72 0.31 -0.11 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.18 0.45 -0.04 0.00 1.11 -1.20 -5.06 119.66 112.74 1x5i s GLN 72 Ca -0.09 -0.87 0.00 0.00 0.01 0.00 0.00 55.36 54.42 1x5i s GLN 72 Cb 0.02 0.12 0.02 0.00 -1.01 0.00 0.00 33.01 32.17 1x5i s GLN 72 CO 0.12 -0.07 -0.02 0.99 0.01 0.00 0.00 175.29 176.32 1x5i s THR 73 N -2.46 0.35 -0.23 -0.19 2.01 -1.26 -3.15 115.64 110.71 1x5i s THR 73 Ca -0.06 0.01 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1x5i s THR 73 Cb -0.03 -0.43 0.04 0.00 0.01 0.00 0.00 72.50 72.09 1x5i s THR 73 CO -0.04 0.19 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.33 1x5i s ILE 74 N 1.11 2.38 -0.29 1.82 1.01 -0.37 -4.96 121.20 121.91 1x5i s ILE 74 Ca -0.08 -1.24 -0.12 0.00 0.00 0.00 0.00 60.65 59.21 1x5i s ILE 74 Cb -0.14 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1x5i s ILE 74 CO -0.01 0.21 0.24 -0.54 0.00 0.00 0.00 174.94 174.83 1x5i s LYS 75 N 1.23 3.90 0.06 2.79 -0.14 -1.26 -2.08 119.74 124.24 1x5i s LYS 75 Ca -0.02 -0.28 0.06 0.00 -1.36 0.00 0.00 55.97 54.36 1x5i s LYS 75 Cb -0.17 -3.68 -0.03 0.00 -1.68 0.00 0.00 37.83 32.27 1x5i s LYS 75 CO -0.07 -0.24 -0.15 0.14 -0.76 0.00 0.00 175.35 174.26 1x5i s VAL 76 N 1.83 1.23 0.60 3.17 -7.23 -1.21 -5.03 120.40 113.76 1x5i s VAL 76 Ca 0.09 -1.21 -0.18 0.00 -1.81 0.00 0.00 61.98 58.87 1x5i s VAL 76 Cb -0.16 -1.14 -0.09 0.00 0.56 0.00 0.00 36.38 35.56 1x5i s VAL 76 CO 0.11 -0.08 0.41 -0.90 -0.31 0.00 0.00 175.10 174.33 1x5i n ASP 77 N 1.54 -1.51 -0.25 4.85 5.68 -1.26 -2.90 116.55 122.70 1x5i n ASP 77 Ca -0.19 0.69 0.03 0.00 -0.50 0.00 0.00 54.79 54.82 1x5i n ASP 77 Cb 0.54 -1.13 0.16 0.00 -1.14 0.00 0.00 41.12 39.55 1x5i n ASP 77 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 1x5i h TYR 78 N 0.07 0.55 -0.96 2.11 -0.00 -1.87 -1.71 116.97 115.16 1x5i h TYR 78 Ca -0.45 0.03 0.24 0.00 0.00 0.00 0.00 58.73 58.55 1x5i h TYR 78 Cb 1.39 -0.13 -0.18 0.00 0.00 0.00 0.00 36.73 37.81 1x5i h TYR 78 CO 0.31 0.13 -0.05 0.87 -0.00 0.00 0.00 178.16 179.42 1x5i h LYS 79 N 0.50 0.02 -6.17 0.10 1.57 -1.95 -3.39 116.57 107.24 1x5i h LYS 79 Ca 0.38 -0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.44 1x5i h LYS 79 Cb 0.50 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.83 1x5i h LYS 79 CO -0.34 0.01 0.87 1.04 -0.57 0.00 0.00 179.45 180.46 1x5i n GLN 80 N -5.51 1.25 -0.01 3.15 1.13 -0.64 -4.86 117.38 111.89 1x5i n GLN 80 Ca 0.20 0.46 -0.17 0.00 -1.94 0.00 0.00 57.00 55.55 1x5i n GLN 80 Cb 0.66 -2.15 -0.14 0.00 0.11 0.00 0.00 30.24 28.72 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 5.16 0.72 -4.06 -1.09 0.63 -1.26 -4.98 116.66 111.78 1x5i n ARG 81 Ca 0.25 0.27 -0.10 0.00 -0.92 0.00 0.00 57.85 57.35 1x5i n ARG 81 Cb 0.15 -1.73 -0.08 0.00 0.45 0.00 0.00 32.46 31.25 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 -2.57 0.65 0.00 -0.14 1.13 -1.26 -1.79 117.35 113.37 1x5i s TYR 82 Ca -0.17 -0.98 -0.01 0.00 -1.41 0.00 0.00 57.07 54.50 1x5i s TYR 82 Cb 0.07 -0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 40.71 1x5i s TYR 82 CO 0.79 -0.71 0.00 -0.47 -2.51 0.00 0.00 175.55 172.65 1x5i s TYR 83 N -4.03 0.10 -0.40 -3.49 6.14 0.85 -4.97 117.35 111.54 1x5i s TYR 83 Ca 0.24 -0.19 -0.09 0.00 0.64 0.00 0.00 57.07 57.67 1x5i s TYR 83 Cb 0.04 -0.07 0.06 0.00 0.42 0.00 0.00 41.96 42.41 1x5i s TYR 83 CO 0.04 -0.09 0.22 0.99 0.64 0.00 0.00 175.55 177.36 1x5i s THR 84 N -0.63 4.25 -0.42 4.34 2.01 -1.26 0.51 115.64 124.44 1x5i s THR 84 Ca -0.07 -1.23 -0.22 0.00 0.31 0.00 0.00 61.69 60.48 1x5i s THR 84 Cb -0.04 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.97 1x5i s THR 84 CO -0.00 -0.39 0.74 -0.63 -0.69 0.00 0.00 174.62 173.64 1x5i s ILE 85 N 1.45 4.73 0.48 1.82 1.01 -0.63 -4.89 121.20 125.17 1x5i s ILE 85 Ca 0.02 0.49 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1x5i s ILE 85 Cb -0.22 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.02 1x5i s ILE 85 CO 0.03 -0.58 0.41 -1.61 0.00 0.00 0.00 174.94 173.19 1x5i s GLU 86 N 3.09 2.38 -0.57 2.79 2.02 -1.26 -0.81 118.70 126.34 1x5i s GLU 86 Ca 0.28 -1.75 -0.02 0.00 0.02 0.00 0.00 54.97 53.50 1x5i s GLU 86 Cb -0.13 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1x5i s GLU 86 CO 0.20 -0.41 0.49 0.09 0.02 0.00 0.00 175.26 175.65 1x5i n ASN 87 N -1.67 -3.18 -4.82 -0.19 3.02 -1.13 -4.98 115.26 102.32 1x5i n ASN 87 Ca 0.02 -0.25 -0.26 0.00 -0.03 0.00 0.00 54.58 54.07 1x5i n ASN 87 Cb 0.63 -2.51 -0.04 0.00 -0.61 0.00 0.00 39.78 37.25 1x5i n ASN 87 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5i s LEU 88 N -3.83 2.91 -0.27 3.41 1.43 -1.15 -5.08 118.68 116.11 1x5i s LEU 88 Ca 0.16 -1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 51.97 1x5i s LEU 88 Cb -0.07 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 1x5i s LEU 88 CO 0.32 -0.79 0.26 -0.62 0.23 0.00 0.00 176.35 175.75 1x5i s ASP 89 N -4.07 6.13 0.62 2.29 2.15 -1.26 -4.79 116.67 117.75 1x5i s ASP 89 Ca 0.35 0.14 -0.16 0.00 0.43 0.00 0.00 52.55 53.31 1x5i s ASP 89 Cb 0.01 -2.15 -0.02 0.00 -0.30 0.00 0.00 42.92 40.45 1x5i s ASP 89 CO 0.21 -0.08 1.11 -2.16 -0.17 0.00 0.00 175.17 174.08 1x5i s PRO 90 N 1.74 2.97 -0.87 4.34 0.04 -1.25 -3.94 135.00 138.03 1x5i s PRO 90 Ca 0.10 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 1x5i s PRO 90 Cb -0.16 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1x5i s PRO 90 CO 0.10 -1.13 0.74 0.45 0.04 0.00 0.00 177.00 177.20 1x5i n SER 91 N -2.09 -2.50 -3.67 6.66 2.88 -1.02 -4.84 113.62 109.03 1x5i n SER 91 Ca 0.11 -0.43 -0.13 0.00 -1.33 0.00 0.00 58.87 57.08 1x5i n SER 91 Cb 0.52 -3.80 -0.08 0.00 -0.75 0.00 0.00 64.21 60.10 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 -3.86 -0.64 0.04 -3.46 0.01 -1.25 -4.99 113.70 99.56 1x5i s SER 92 Ca 0.06 1.22 -0.28 0.00 1.31 0.00 0.00 55.95 58.26 1x5i s SER 92 Cb -0.03 1.23 -0.05 0.00 0.21 0.00 0.00 66.02 67.39 1x5i s SER 92 CO 0.52 -0.21 0.91 -2.28 0.41 0.00 0.00 173.24 172.59 1x5i s HIS 93 N 0.38 3.72 -0.12 2.43 5.65 -1.26 -2.66 115.29 123.44 1x5i s HIS 93 Ca -0.00 1.66 0.01 0.00 0.25 0.00 0.00 55.06 56.97 1x5i s HIS 93 Cb -0.04 -3.01 0.02 0.00 -1.18 0.00 0.00 32.58 28.36 1x5i s HIS 93 CO -0.00 0.13 -0.14 0.71 -0.65 0.00 0.00 174.74 174.80 1x5i s TYR 94 N 0.42 1.94 -0.46 3.88 1.51 -0.37 -4.19 117.35 120.08 1x5i s TYR 94 Ca 0.46 -0.98 -0.27 0.00 -1.01 0.00 0.00 57.07 55.28 1x5i s TYR 94 Cb -0.21 -1.43 0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1x5i s TYR 94 CO 0.27 -0.54 0.99 0.08 -1.11 0.00 0.00 175.55 175.24 1x5i s VAL 95 N 1.25 4.40 -0.07 0.71 1.01 -0.90 -3.00 120.40 123.81 1x5i s VAL 95 Ca -0.01 0.93 -0.07 0.00 0.00 0.00 0.00 61.98 62.83 1x5i s VAL 95 Cb -0.14 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 1x5i s VAL 95 CO -0.05 -0.86 0.20 -0.63 0.00 0.00 0.00 175.10 173.75 1x5i s ILE 96 N 3.94 5.41 0.06 2.22 1.09 -1.25 -2.39 121.20 130.29 1x5i s ILE 96 Ca 0.40 0.24 0.04 0.00 -1.10 0.00 0.00 60.65 60.23 1x5i s ILE 96 Cb -0.09 -3.48 -0.03 0.00 -1.06 0.00 0.00 42.46 37.80 1x5i s ILE 96 CO 0.27 0.54 -0.11 0.42 -0.10 0.00 0.00 174.94 175.97 1x5i s THR 97 N -1.11 0.83 -0.05 2.92 -4.23 0.24 -2.23 115.64 112.02 1x5i s THR 97 Ca 0.20 -1.29 -0.03 0.00 -1.18 0.00 0.00 61.69 59.38 1x5i s THR 97 Cb -0.13 -0.95 0.02 0.00 1.34 0.00 0.00 72.50 72.78 1x5i s THR 97 CO 0.09 -0.37 0.11 -0.22 -0.54 0.00 0.00 174.62 173.69 1x5i s LEU 98 N -1.84 1.34 -0.15 4.79 2.96 -1.22 -0.58 118.68 123.99 1x5i s LEU 98 Ca -0.04 0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 54.00 1x5i s LEU 98 Cb -0.08 0.35 0.05 0.00 0.50 0.00 0.00 46.19 47.00 1x5i s LEU 98 CO 0.01 -0.07 0.37 -1.59 -1.32 0.00 0.00 176.35 173.75 1x5i s LYS 99 N 0.39 0.40 0.36 1.98 -2.85 -1.11 -1.51 119.74 117.40 1x5i s LYS 99 Ca -0.03 0.61 -0.21 0.00 -1.00 0.00 0.00 55.97 55.34 1x5i s LYS 99 Cb -0.04 0.09 -0.10 0.00 -2.06 0.00 0.00 37.83 35.72 1x5i s LYS 99 CO -0.02 -0.10 0.88 0.00 0.10 0.00 0.00 175.35 176.22 1x5i s ALA 100 N 0.73 3.18 0.02 0.59 0.00 -1.26 -0.22 121.76 124.79 1x5i s ALA 100 Ca -0.04 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 1x5i s ALA 100 Cb -0.05 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1x5i s ALA 100 CO -0.05 0.20 0.07 -0.59 0.00 0.00 0.00 175.76 175.39 1x5i s PHE 101 N -1.92 0.17 0.25 0.00 -0.12 -0.50 -2.39 117.98 113.48 1x5i s PHE 101 Ca 0.55 -0.40 -0.00 0.00 -0.05 0.00 0.00 56.93 57.03 1x5i s PHE 101 Cb -0.13 -0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.13 1x5i s PHE 101 CO 0.18 -0.28 0.32 0.27 -0.05 0.00 0.00 175.22 175.66 1x5i n ASN 102 N 1.26 -0.89 -0.35 1.98 6.94 0.10 -1.08 115.26 123.22 1x5i n ASN 102 Ca -0.22 -2.36 0.25 0.00 -0.02 0.00 0.00 54.58 52.22 1x5i n ASN 102 Cb 0.56 1.70 0.50 0.00 -2.36 0.00 0.00 39.78 40.18 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 1.40 0.49 -0.05 0.53 -1.07 -1.95 0.78 115.58 115.70 1x5i h ASN 103 Ca -0.19 0.15 -0.04 0.00 0.07 0.00 0.00 56.30 56.29 1x5i h ASN 103 Cb 0.84 0.09 0.00 0.00 -2.07 0.00 0.00 38.32 37.18 1x5i h ASN 103 CO 0.26 -0.05 -0.11 0.58 0.07 0.00 0.00 177.43 178.18 1x5i h VAL 104 N 0.35 1.43 0.00 6.14 2.07 -1.88 -3.50 116.25 120.86 1x5i h VAL 104 Ca 0.70 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1x5i h VAL 104 Cb 1.70 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1x5i h VAL 104 CO -0.48 0.40 0.00 0.61 0.02 0.00 0.00 177.57 178.12 1x5i n GLY 105 N 0.48 -0.51 3.67 2.17 0.00 0.27 -4.88 105.19 106.37 1x5i n GLY 105 Ca -0.08 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 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 2.33 0.00 1.61 4.04 -1.26 0.01 118.70 123.43 1x5i s GLU 106 Ca 0.00 -1.43 0.00 0.00 0.04 0.00 0.00 54.97 53.58 1x5i s GLU 106 Cb 0.00 -2.18 0.00 0.00 0.02 0.00 0.00 34.13 31.97 1x5i s GLU 106 CO 0.00 0.33 0.00 0.41 -1.84 0.00 0.00 175.26 174.16 1x5i n GLY 107 N -0.95 1.86 3.68 -3.83 0.00 -1.00 -4.79 105.19 100.16 1x5i n GLY 107 Ca -0.06 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 1x5i n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5i s ILE 108 N 4.50 5.33 0.79 -0.61 -1.09 -1.26 -4.93 121.20 123.93 1x5i s ILE 108 Ca 0.00 0.33 -0.13 0.00 -2.23 0.00 0.00 60.65 58.62 1x5i s ILE 108 Cb 0.00 -3.55 0.20 0.00 -1.58 0.00 0.00 42.46 37.52 1x5i s ILE 108 CO 0.00 0.35 0.70 -0.81 -1.23 0.00 0.00 174.94 173.95 1x5i n PRO 109 N 4.09 -2.39 -4.16 2.79 -0.04 -1.26 -4.11 135.00 129.91 1x5i n PRO 109 Ca -0.14 -1.12 -0.18 0.00 -0.04 0.00 0.00 63.50 62.03 1x5i n PRO 109 Cb 0.52 -1.05 -0.12 0.00 -0.04 0.00 0.00 33.50 32.81 1x5i n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x5i s LEU 110 N 0.00 2.28 -0.12 1.53 1.43 -0.57 -4.91 118.68 118.32 1x5i s LEU 110 Ca 0.46 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1x5i s LEU 110 Cb -0.04 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 1x5i s LEU 110 CO 0.35 -0.10 -0.04 -0.31 0.23 0.00 0.00 176.35 176.49 1x5i s TYR 111 N -1.34 3.03 0.32 0.29 1.51 -1.26 -3.42 117.35 116.49 1x5i s TYR 111 Ca -0.02 -0.11 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 1x5i s TYR 111 Cb -0.10 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1x5i s TYR 111 CO 0.02 0.16 0.28 -1.21 -1.11 0.00 0.00 175.55 173.69 1x5i s GLU 112 N -0.18 1.71 -0.02 -0.62 0.41 -0.95 -5.04 118.70 114.02 1x5i s GLU 112 Ca 0.03 -1.96 -0.02 0.00 -0.41 0.00 0.00 54.97 52.61 1x5i s GLU 112 Cb -0.13 0.33 0.01 0.00 -1.78 0.00 0.00 34.13 32.56 1x5i s GLU 112 CO 0.02 -0.63 0.06 -1.54 -0.49 0.00 0.00 175.26 172.68 1x5i s SER 113 N -3.34 -0.04 -0.17 -0.19 1.04 -1.26 -3.80 113.70 105.93 1x5i s SER 113 Ca 0.40 0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.89 1x5i s SER 113 Cb 0.03 0.09 0.08 0.00 0.10 0.00 0.00 66.02 66.32 1x5i s SER 113 CO 0.26 -0.05 0.34 0.00 0.98 0.00 0.00 173.24 174.77 1x5i s ALA 114 N 0.27 -0.86 -0.45 5.32 0.00 -1.16 -4.91 121.76 119.96 1x5i s ALA 114 Ca -0.02 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1x5i s ALA 114 Cb -0.03 -1.21 0.09 0.00 0.00 0.00 0.00 23.12 21.97 1x5i s ALA 114 CO -0.01 -0.75 0.33 0.08 0.00 0.00 0.00 175.76 175.41 1x5i s VAL 115 N 2.52 4.57 0.31 0.00 1.01 -1.26 -1.23 120.40 126.31 1x5i s VAL 115 Ca 0.01 -1.39 -0.28 0.00 0.00 0.00 0.00 61.98 60.32 1x5i s VAL 115 Cb -0.12 -3.82 -0.13 0.00 0.00 0.00 0.00 36.38 32.30 1x5i s VAL 115 CO -0.11 -0.60 1.12 0.35 0.00 0.00 0.00 175.10 175.85 1x5i n THR 116 N 5.02 2.00 -1.50 3.92 -2.24 -1.09 -4.74 114.28 115.64 1x5i n THR 116 Ca -0.11 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 60.84 1x5i n THR 116 Cb 0.42 -1.21 0.08 0.00 -2.10 0.00 0.00 70.33 67.52 1x5i n THR 116 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x5i s ARG 117 N -1.67 2.34 0.06 -0.78 3.00 -1.24 -2.44 118.95 118.22 1x5i s ARG 117 Ca 0.57 1.55 -0.31 0.00 0.00 0.00 0.00 55.73 57.55 1x5i s ARG 117 Cb -0.65 -1.88 -0.07 0.00 0.00 0.00 0.00 34.95 32.35 1x5i s ARG 117 CO 0.61 -1.64 1.40 -1.25 0.00 0.00 0.00 175.30 174.42 1x5i s PRO 118 N -4.10 4.30 -0.48 3.54 0.04 -1.26 -3.00 135.00 134.05 1x5i s PRO 118 Ca 0.70 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.66 1x5i s PRO 118 Cb -0.24 -3.40 0.11 0.00 0.04 0.00 0.00 34.50 31.01 1x5i s PRO 118 CO 0.45 -0.50 0.36 -1.58 0.04 0.00 0.00 177.00 175.78 1x5i s HIS 119 N 1.70 3.38 -0.80 0.56 2.46 -1.26 -4.97 115.29 116.36 1x5i s HIS 119 Ca 0.65 -1.70 -0.23 0.00 0.47 0.00 0.00 55.06 54.25 1x5i s HIS 119 Cb -0.34 -3.47 -0.18 0.00 -0.13 0.00 0.00 32.58 28.46 1x5i s HIS 119 CO 0.29 -0.97 2.39 0.25 -2.47 0.00 0.00 174.74 174.23 1x5i n THR 120 N 4.98 -0.02 -1.13 0.89 -2.24 -1.26 -4.90 114.28 110.60 1x5i n THR 120 Ca -0.09 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.89 1x5i n THR 120 Cb 0.41 -1.49 0.23 0.00 -2.10 0.00 0.00 70.33 67.39 1x5i n THR 120 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5i s SER 121 N 8.30 1.09 0.15 3.42 1.04 -1.26 -4.81 113.70 121.62 1x5i s SER 121 Ca 1.10 0.63 0.00 0.00 0.48 0.00 0.00 55.95 58.16 1x5i s SER 121 Cb -0.47 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 64.77 1x5i s SER 121 CO 0.30 -4.02 0.00 0.61 0.98 0.00 0.00 173.24 171.11 1x5i n GLY 122 N -1.10 -2.25 3.56 7.32 0.00 -1.26 -4.63 105.19 106.82 1x5i n GLY 122 Ca 0.13 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.52 2.57 0.19 1.61 0.04 -1.26 -4.96 135.00 130.67 1x5i s PRO 123 Ca 0.00 -0.06 -0.28 0.00 0.04 0.00 0.00 61.00 60.70 1x5i s PRO 123 Cb 0.00 -4.89 -0.08 0.00 0.04 0.00 0.00 34.50 29.57 1x5i s PRO 123 CO 0.00 -3.21 0.88 0.45 0.04 0.00 0.00 177.00 175.16 1x5i s SER 124 N 8.05 7.52 0.05 6.66 0.15 -1.26 -5.04 113.70 129.84 1x5i s SER 124 Ca 0.69 1.80 -0.28 0.00 0.70 0.00 0.00 55.95 58.87 1x5i s SER 124 Cb -0.08 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.76 1x5i s SER 124 CO 0.05 0.15 1.15 -0.94 1.20 0.00 0.00 173.24 174.84 1x5i s SER 125 N -0.99 -0.11 0.00 5.45 1.04 -1.26 -5.23 113.70 112.60 1x5i s SER 125 Ca 0.40 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1x5i s SER 125 Cb -0.24 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1x5i s SER 125 CO 0.29 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.57