#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ic1 s THR 2 N 0.00 1.36 -0.03 5.09 2.01 -1.26 -0.85 115.64 121.96 1ic1 s THR 2 Ca 0.00 -1.11 -0.09 0.00 0.31 0.00 0.00 61.69 60.81 1ic1 s THR 2 Cb 0.00 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.31 1ic1 s THR 2 CO 0.00 0.08 0.20 -0.55 -0.69 0.00 0.00 174.62 173.65 1ic1 s SER 3 N -1.20 -0.10 -0.07 3.53 0.15 0.50 -4.64 113.70 111.88 1ic1 s SER 3 Ca 0.04 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.78 1ic1 s SER 3 Cb -0.08 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1ic1 s SER 3 CO 0.02 -0.27 -0.09 0.54 1.20 0.00 0.00 173.24 174.63 1ic1 s VAL 4 N -0.82 0.95 -0.01 4.45 0.11 -1.26 -0.17 120.40 123.65 1ic1 s VAL 4 Ca -0.09 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 1ic1 s VAL 4 Cb -0.05 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1ic1 s VAL 4 CO 0.02 0.32 -0.04 -0.55 -3.33 0.00 0.00 175.10 171.52 1ic1 s SER 5 N 0.91 0.60 0.48 3.54 0.15 -0.47 -3.58 113.70 115.34 1ic1 s SER 5 Ca -0.10 -0.08 -0.24 0.00 0.70 0.00 0.00 55.95 56.22 1ic1 s SER 5 Cb -0.15 -0.16 -0.07 0.00 -1.71 0.00 0.00 66.02 63.93 1ic1 s SER 5 CO 0.01 0.01 1.42 -2.16 1.20 0.00 0.00 173.24 173.73 1ic1 s PRO 6 N 0.25 3.52 0.32 5.44 0.04 -1.26 -1.20 135.00 142.11 1ic1 s PRO 6 Ca -0.03 2.41 0.07 0.00 0.04 0.00 0.00 61.00 63.49 1ic1 s PRO 6 Cb -0.06 -2.55 0.56 0.00 0.04 0.00 0.00 34.50 32.49 1ic1 s PRO 6 CO -0.00 -0.95 1.77 1.03 0.04 0.00 0.00 177.00 178.89 1ic1 h SER 7 N 2.07 0.27 -5.04 6.66 0.87 -1.94 -3.45 113.55 112.99 1ic1 h SER 7 Ca -0.51 -0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 59.85 1ic1 h SER 7 Cb 1.28 -0.07 -0.18 0.00 -0.44 0.00 0.00 62.40 62.98 1ic1 h SER 7 CO 0.60 0.57 -0.32 -0.75 -0.53 0.00 0.00 176.83 176.39 1ic1 s LYS 8 N -4.39 0.71 -0.02 2.24 2.36 -1.26 -2.79 119.74 116.59 1ic1 s LYS 8 Ca -0.05 -0.48 -0.10 0.00 -2.55 0.00 0.00 55.97 52.79 1ic1 s LYS 8 Cb 0.14 0.31 0.01 0.00 -1.05 0.00 0.00 37.83 37.24 1ic1 s LYS 8 CO 0.76 -0.21 0.23 0.08 1.55 0.00 0.00 175.35 177.76 1ic1 s VAL 9 N -2.22 0.06 -0.10 4.02 1.01 0.19 -4.90 120.40 118.46 1ic1 s VAL 9 Ca -0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1ic1 s VAL 9 Cb -0.02 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.90 1ic1 s VAL 9 CO -0.02 -0.25 -0.05 -0.51 0.00 0.00 0.00 175.10 174.27 1ic1 s ILE 10 N -1.03 0.83 0.08 2.22 2.07 -1.26 0.59 121.20 124.71 1ic1 s ILE 10 Ca -0.11 -0.17 -0.01 0.00 -1.41 0.00 0.00 60.65 58.95 1ic1 s ILE 10 Cb -0.05 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 1ic1 s ILE 10 CO 0.02 0.33 -0.01 -1.48 -1.91 0.00 0.00 174.94 171.90 1ic1 s LEU 11 N 1.75 2.28 0.52 8.50 0.05 -0.09 -4.96 118.68 126.74 1ic1 s LEU 11 Ca 0.04 -1.07 -0.22 0.00 0.05 0.00 0.00 54.13 52.94 1ic1 s LEU 11 Cb -0.13 0.19 -0.05 0.00 -2.05 0.00 0.00 46.19 44.15 1ic1 s LEU 11 CO -0.07 -0.62 1.26 -2.84 -0.55 0.00 0.00 176.35 173.53 1ic1 s PRO 12 N -3.95 3.33 -0.18 1.48 0.02 -1.26 -0.35 135.00 134.10 1ic1 s PRO 12 Ca 0.13 1.99 -0.28 0.00 0.02 0.00 0.00 61.00 62.86 1ic1 s PRO 12 Cb 0.08 -2.25 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 1ic1 s PRO 12 CO -0.06 -0.96 2.15 0.50 -0.33 0.00 0.00 177.00 178.30 1ic1 s ARG 13 N -2.91 3.33 0.00 5.54 3.52 0.60 0.94 118.95 129.97 1ic1 s ARG 13 Ca 0.70 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 58.40 1ic1 s ARG 13 Cb -0.34 -4.32 0.00 0.00 -1.56 0.00 0.00 34.95 28.72 1ic1 s ARG 13 CO 0.40 -1.88 0.00 0.41 -0.81 0.00 0.00 175.30 173.42 1ic1 n GLY 14 N 5.51 2.61 3.69 8.12 0.00 0.20 -4.93 105.19 120.39 1ic1 n GLY 14 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 1ic1 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ic1 n GLY 15 N -1.17 1.57 3.69 -0.02 0.00 0.27 -3.27 105.19 106.27 1ic1 n GLY 15 Ca 0.00 0.70 -0.41 0.00 0.00 0.00 0.00 46.02 46.31 1ic1 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ic1 s SER 16 N 2.26 7.05 0.22 1.61 1.04 -1.26 -3.57 113.70 121.05 1ic1 s SER 16 Ca 0.81 1.27 -0.00 0.00 0.48 0.00 0.00 55.95 58.51 1ic1 s SER 16 Cb -0.52 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.10 1ic1 s SER 16 CO 0.37 -0.27 0.41 0.54 0.98 0.00 0.00 173.24 175.27 1ic1 s VAL 17 N 1.43 5.20 -0.13 5.02 0.11 0.38 -4.94 120.40 127.47 1ic1 s VAL 17 Ca 0.41 -0.42 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1ic1 s VAL 17 Cb -0.18 -3.76 0.01 0.00 -1.53 0.00 0.00 36.38 30.93 1ic1 s VAL 17 CO 0.17 -0.23 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.32 1ic1 s LEU 18 N -3.48 1.89 0.12 2.54 2.96 -1.26 -0.97 118.68 120.47 1ic1 s LEU 18 Ca 0.38 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1ic1 s LEU 18 Cb -0.11 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 1ic1 s LEU 18 CO 0.30 0.03 -0.10 0.54 -1.32 0.00 0.00 176.35 175.80 1ic1 s VAL 19 N 1.01 1.02 -0.14 1.68 0.11 0.13 -4.72 120.40 119.50 1ic1 s VAL 19 Ca -0.04 -1.84 -0.01 0.00 -2.93 0.00 0.00 61.98 57.15 1ic1 s VAL 19 Cb -0.15 -1.60 0.04 0.00 -1.53 0.00 0.00 36.38 33.14 1ic1 s VAL 19 CO -0.04 -0.66 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.14 1ic1 s THR 20 N -2.91 0.93 0.20 5.04 2.01 -0.34 0.00 115.64 120.57 1ic1 s THR 20 Ca 0.11 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 1ic1 s THR 20 Cb 0.00 -1.08 -0.07 0.00 0.01 0.00 0.00 72.50 71.36 1ic1 s THR 20 CO -0.00 0.19 0.51 0.00 -0.69 0.00 0.00 174.62 174.63 1ic1 s SER 22 N -2.32 0.01 -0.10 0.00 1.04 0.76 -1.19 113.70 111.91 1ic1 s SER 22 Ca 0.45 -0.55 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 1ic1 s SER 22 Cb -0.12 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.41 1ic1 s SER 22 CO 0.22 -0.77 0.26 0.28 0.98 0.00 0.00 173.24 174.21 1ic1 s THR 23 N -3.84 -0.00 -0.63 2.02 -1.32 -1.12 -0.37 115.64 110.38 1ic1 s THR 23 Ca 0.04 0.01 0.03 0.00 -1.21 0.00 0.00 61.69 60.56 1ic1 s THR 23 Cb 0.04 -0.37 0.38 0.00 -1.51 0.00 0.00 72.50 71.04 1ic1 s THR 23 CO -0.11 0.00 1.40 -1.54 -2.21 0.00 0.00 174.62 172.16 1ic1 n SER 24 N 3.04 5.70 -4.92 8.08 3.41 -0.03 -4.93 113.62 123.97 1ic1 n SER 24 Ca -0.14 -3.74 -0.21 0.00 -0.26 0.00 0.00 58.87 54.52 1ic1 n SER 24 Cb 0.58 -0.71 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 1ic1 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ic1 h ASP 26 N 0.01 -0.41 -2.59 0.00 3.32 -2.00 -3.42 116.42 111.32 1ic1 h ASP 26 Ca -0.40 -0.15 -0.55 0.00 0.02 0.00 0.00 57.03 55.96 1ic1 h ASP 26 Cb 1.29 0.11 -0.39 0.00 0.22 0.00 0.00 39.33 40.56 1ic1 h ASP 26 CO 0.48 -0.00 -0.81 -1.10 -1.72 0.00 0.00 179.24 176.08 1ic1 s GLN 27 N -4.24 0.44 -0.82 3.56 -1.52 -1.26 -5.10 119.66 110.73 1ic1 s GLN 27 Ca -0.13 -1.04 -0.26 0.00 -1.95 0.00 0.00 55.36 51.99 1ic1 s GLN 27 Cb 0.02 -1.20 0.04 0.00 -0.22 0.00 0.00 33.01 31.64 1ic1 s GLN 27 CO 0.47 -1.15 1.32 -1.25 -0.25 0.00 0.00 175.29 174.42 1ic1 s PRO 28 N 1.43 3.30 0.51 2.91 0.04 -1.26 -4.36 135.00 137.56 1ic1 s PRO 28 Ca 0.15 -0.51 0.27 0.00 0.04 0.00 0.00 61.00 60.96 1ic1 s PRO 28 Cb -0.20 -4.51 1.47 0.00 0.04 0.00 0.00 34.50 31.30 1ic1 s PRO 28 CO -0.11 -2.15 1.80 1.57 0.04 0.00 0.00 177.00 178.15 1ic1 h LYS 29 N 9.95 0.00 -3.43 4.56 2.10 -1.93 -3.42 116.57 124.40 1ic1 h LYS 29 Ca -0.15 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.36 1ic1 h LYS 29 Cb 1.04 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.16 1ic1 h LYS 29 CO 1.32 0.00 -0.47 -1.17 -2.00 0.00 0.00 179.45 177.13 1ic1 s LEU 30 N -5.15 1.44 -0.02 7.07 0.20 -1.09 -5.02 118.68 116.12 1ic1 s LEU 30 Ca -0.03 -0.08 -0.06 0.00 0.69 0.00 0.00 54.13 54.65 1ic1 s LEU 30 Cb 0.08 0.73 0.00 0.00 -0.43 0.00 0.00 46.19 46.57 1ic1 s LEU 30 CO 0.25 -0.33 0.12 -0.22 -0.29 0.00 0.00 176.35 175.88 1ic1 s LEU 31 N -1.14 1.57 0.00 -0.68 2.96 -1.26 -1.97 118.68 118.16 1ic1 s LEU 31 Ca -0.12 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1ic1 s LEU 31 Cb -0.06 0.54 0.00 0.00 0.50 0.00 0.00 46.19 47.17 1ic1 s LEU 31 CO 0.02 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 1ic1 n GLY 32 N 2.14 -1.37 2.82 7.98 0.00 -0.48 -4.99 105.19 111.29 1ic1 n GLY 32 Ca -0.18 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 1ic1 n GLY 32 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ic1 s ILE 33 N -2.45 -0.08 -1.18 -0.61 2.07 -1.26 0.26 121.20 117.94 1ic1 s ILE 33 Ca 0.00 0.24 -0.06 0.00 -1.41 0.00 0.00 60.65 59.43 1ic1 s ILE 33 Cb 0.00 -0.17 0.23 0.00 0.13 0.00 0.00 42.46 42.65 1ic1 s ILE 33 CO 0.00 0.10 1.84 1.21 -1.91 0.00 0.00 174.94 176.17 1ic1 n GLU 34 N 4.43 4.36 -4.38 3.50 4.07 0.27 -4.90 120.64 127.99 1ic1 n GLU 34 Ca -0.23 -4.03 -0.24 0.00 -0.06 0.00 0.00 57.16 52.60 1ic1 n GLU 34 Cb 0.51 -2.67 -0.09 0.00 -0.06 0.00 0.00 31.44 29.13 1ic1 n GLU 34 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1ic1 s THR 35 N -1.66 2.66 -0.13 6.31 -1.32 -1.26 -3.81 115.64 116.43 1ic1 s THR 35 Ca 0.39 -2.05 0.19 0.00 -1.21 0.00 0.00 61.69 59.01 1ic1 s THR 35 Cb 0.11 -2.72 -0.19 0.00 -1.51 0.00 0.00 72.50 68.20 1ic1 s THR 35 CO 0.00 -0.25 0.62 -0.81 -2.21 0.00 0.00 174.62 171.98 1ic1 n PRO 36 N -0.88 0.64 -0.67 7.08 -0.04 -1.26 -5.02 135.00 134.84 1ic1 n PRO 36 Ca -0.05 0.08 -0.31 0.00 -0.04 0.00 0.00 63.50 63.18 1ic1 n PRO 36 Cb 0.62 -1.69 0.17 0.00 -0.04 0.00 0.00 33.50 32.56 1ic1 n PRO 36 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ic1 n LEU 37 N -2.71 0.05 -4.58 1.53 4.77 -1.26 -4.91 117.00 109.89 1ic1 n LEU 37 Ca -0.12 0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 1ic1 n LEU 37 Cb 0.82 -1.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1ic1 n LEU 37 CO 0.43 -3.06 1.30 -2.84 -1.33 0.00 0.00 177.39 171.89 1ic1 s PRO 38 N -4.02 3.34 -0.10 3.23 0.02 -1.26 -4.94 135.00 131.26 1ic1 s PRO 38 Ca 0.62 0.69 0.02 0.00 0.02 0.00 0.00 61.00 62.34 1ic1 s PRO 38 Cb -0.21 -4.12 -0.02 0.00 0.02 0.00 0.00 34.50 30.18 1ic1 s PRO 38 CO 0.64 -1.88 -0.15 -1.59 -0.33 0.00 0.00 177.00 173.70 1ic1 s LYS 39 N 5.46 3.07 -0.27 5.54 -2.85 -1.25 -1.07 119.74 128.36 1ic1 s LYS 39 Ca 0.58 -0.71 -0.06 0.00 -1.00 0.00 0.00 55.97 54.78 1ic1 s LYS 39 Cb -0.13 -2.51 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 1ic1 s LYS 39 CO 0.28 0.34 0.04 0.15 0.10 0.00 0.00 175.35 176.26 1ic1 s LYS 40 N 0.01 3.17 0.36 1.78 -0.14 -0.30 -4.87 119.74 119.76 1ic1 s LYS 40 Ca -0.05 -0.79 -0.24 0.00 -1.36 0.00 0.00 55.97 53.53 1ic1 s LYS 40 Cb -0.14 -3.27 -0.10 0.00 -1.68 0.00 0.00 37.83 32.64 1ic1 s LYS 40 CO 0.04 -0.37 0.94 -2.00 -0.76 0.00 0.00 175.35 173.20 1ic1 s GLU 41 N 1.49 4.43 0.21 1.68 2.12 -1.26 -0.22 118.70 127.15 1ic1 s GLU 41 Ca 0.03 1.22 -0.01 0.00 0.36 0.00 0.00 54.97 56.58 1ic1 s GLU 41 Cb -0.16 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 1ic1 s GLU 41 CO 0.01 0.17 0.12 -0.48 -0.54 0.00 0.00 175.26 174.53 1ic1 s LEU 42 N -2.49 1.28 -0.68 2.70 2.34 -0.17 -4.95 118.68 116.71 1ic1 s LEU 42 Ca 0.54 -1.38 -0.27 0.00 0.06 0.00 0.00 54.13 53.08 1ic1 s LEU 42 Cb -0.15 0.31 0.02 0.00 -0.56 0.00 0.00 46.19 45.81 1ic1 s LEU 42 CO 0.20 -0.81 1.34 -0.76 -1.06 0.00 0.00 176.35 175.26 1ic1 s LEU 43 N -3.18 3.25 -0.07 1.48 1.43 -1.26 -4.43 118.68 115.90 1ic1 s LEU 43 Ca 0.38 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1ic1 s LEU 43 Cb 0.07 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.59 1ic1 s LEU 43 CO 0.12 -1.82 -0.14 -0.22 0.23 0.00 0.00 176.35 174.51 1ic1 s LEU 44 N 6.00 1.72 0.11 1.79 2.96 -1.26 -5.06 118.68 124.94 1ic1 s LEU 44 Ca 0.42 -0.35 -0.23 0.00 -0.22 0.00 0.00 54.13 53.75 1ic1 s LEU 44 Cb -0.09 -0.94 -0.09 0.00 0.50 0.00 0.00 46.19 45.57 1ic1 s LEU 44 CO 0.19 0.05 1.71 1.55 -1.32 0.00 0.00 176.35 178.53 1ic1 h PRO 45 N 6.97 -0.09 0.00 0.98 0.13 -1.93 -3.40 132.00 134.67 1ic1 h PRO 45 Ca -0.29 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ic1 h PRO 45 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ic1 h PRO 45 CO 0.47 -0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 1ic1 n GLY 46 N -1.19 0.00 2.40 1.56 0.00 -1.26 -4.71 105.19 101.99 1ic1 n GLY 46 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1ic1 n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ic1 n ASN 47 N -0.43 -4.84 0.00 1.61 3.02 -1.26 -4.52 115.26 108.84 1ic1 n ASN 47 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1ic1 n ASN 47 Cb 0.00 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 1ic1 n ASN 47 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ic1 n ASN 48 N -0.75 0.00 -4.67 6.41 4.05 -1.26 -5.08 115.26 113.95 1ic1 n ASN 48 Ca -0.17 0.00 -0.25 0.00 0.45 0.00 0.00 54.58 54.61 1ic1 n ASN 48 Cb 0.57 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 41.50 1ic1 n ASN 48 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1ic1 s ARG 49 N -0.82 2.14 -0.11 1.20 0.52 -1.26 -2.77 118.95 117.84 1ic1 s ARG 49 Ca 0.00 -1.79 -0.09 0.00 -0.52 0.00 0.00 55.73 53.33 1ic1 s ARG 49 Cb 0.00 -1.94 0.03 0.00 0.52 0.00 0.00 34.95 33.56 1ic1 s ARG 49 CO 0.00 0.05 0.28 0.21 0.02 0.00 0.00 175.30 175.86 1ic1 s LYS 50 N -3.78 0.31 -0.14 3.54 2.20 -0.33 -4.77 119.74 116.77 1ic1 s LYS 50 Ca 0.37 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 56.43 1ic1 s LYS 50 Cb 0.02 0.09 -0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1ic1 s LYS 50 CO 0.20 -0.07 -0.17 0.08 -0.36 0.00 0.00 175.35 175.04 1ic1 s VAL 51 N 0.46 2.62 0.07 4.02 1.01 -1.26 -0.98 120.40 126.34 1ic1 s VAL 51 Ca -0.03 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1ic1 s VAL 51 Cb -0.04 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1ic1 s VAL 51 CO -0.02 0.53 -0.21 -0.31 0.00 0.00 0.00 175.10 175.08 1ic1 s TYR 52 N 0.60 2.46 -0.44 5.22 1.51 0.10 -1.00 117.35 125.80 1ic1 s TYR 52 Ca -0.09 -0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 55.61 1ic1 s TYR 52 Cb -0.16 -1.38 0.12 0.00 -0.11 0.00 0.00 41.96 40.42 1ic1 s TYR 52 CO 0.03 0.27 0.26 -2.00 -1.11 0.00 0.00 175.55 173.00 1ic1 s GLU 53 N -1.67 2.16 -0.16 -0.62 2.56 0.70 -0.69 118.70 120.98 1ic1 s GLU 53 Ca 0.15 -1.87 -0.18 0.00 0.00 0.00 0.00 54.97 53.06 1ic1 s GLU 53 Cb -0.10 -3.68 -0.04 0.00 2.00 0.00 0.00 34.13 32.31 1ic1 s GLU 53 CO 0.06 -1.11 0.49 -0.51 -0.56 0.00 0.00 175.26 173.63 1ic1 s LEU 54 N 1.08 4.21 0.31 2.70 1.43 -0.14 -1.15 118.68 127.12 1ic1 s LEU 54 Ca 0.08 0.74 0.09 0.00 -1.03 0.00 0.00 54.13 54.01 1ic1 s LEU 54 Cb -0.23 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 1ic1 s LEU 54 CO -0.03 -0.08 0.02 -0.44 0.23 0.00 0.00 176.35 176.05 1ic1 s SER 55 N 0.88 4.40 -1.09 2.29 0.01 -0.23 -0.47 113.70 119.49 1ic1 s SER 55 Ca 0.25 -0.80 -0.16 0.00 1.31 0.00 0.00 55.95 56.55 1ic1 s SER 55 Cb -0.15 -0.69 -0.03 0.00 0.21 0.00 0.00 66.02 65.36 1ic1 s SER 55 CO 0.10 -0.14 0.83 -3.20 0.41 0.00 0.00 173.24 171.24 1ic1 n ASN 56 N -0.95 -5.82 -4.80 2.44 5.15 -1.20 -4.22 115.26 105.86 1ic1 n ASN 56 Ca -0.05 -0.90 -0.33 0.00 -0.60 0.00 0.00 54.58 52.71 1ic1 n ASN 56 Cb 0.61 -3.98 0.01 0.00 -0.53 0.00 0.00 39.78 35.89 1ic1 n ASN 56 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ic1 s VAL 57 N -3.42 3.69 0.00 3.44 1.01 -1.23 -4.77 120.40 119.11 1ic1 s VAL 57 Ca 0.45 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1ic1 s VAL 57 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1ic1 s VAL 57 CO 0.82 -0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.49 1ic1 n GLN 58 N -1.90 0.00 -4.39 2.72 0.00 -1.26 -0.63 117.38 111.92 1ic1 n GLN 58 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 57.00 56.79 1ic1 n GLN 58 Cb 0.53 -0.12 -0.11 0.00 0.00 0.00 0.00 30.24 30.53 1ic1 n GLN 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1ic1 s GLU 59 N -1.42 2.00 0.03 2.61 2.02 -1.26 -4.90 118.70 117.78 1ic1 s GLU 59 Ca 0.00 -1.06 -0.31 0.00 0.02 0.00 0.00 54.97 53.62 1ic1 s GLU 59 Cb 0.00 -2.21 -0.10 0.00 0.10 0.00 0.00 34.13 31.92 1ic1 s GLU 59 CO 0.00 0.51 1.93 -0.25 0.02 0.00 0.00 175.26 177.47 1ic1 n ASP 60 N 1.02 3.98 -4.46 -0.19 8.00 -1.26 -4.77 116.55 118.87 1ic1 n ASP 60 Ca -0.15 0.93 -0.23 0.00 0.71 0.00 0.00 54.79 56.06 1ic1 n ASP 60 Cb 0.52 -1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.03 1ic1 n ASP 60 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ic1 s SER 61 N 4.06 3.08 -0.52 -2.24 1.04 -1.02 -5.00 113.70 113.10 1ic1 s SER 61 Ca 0.89 -1.17 0.06 0.00 0.48 0.00 0.00 55.95 56.21 1ic1 s SER 61 Cb -0.50 -0.23 0.21 0.00 0.10 0.00 0.00 66.02 65.60 1ic1 s SER 61 CO 0.43 -0.26 0.50 0.00 0.98 0.00 0.00 173.24 174.89 1ic1 n GLN 62 N -0.63 1.15 -1.67 4.02 3.00 -1.26 -0.95 117.38 121.04 1ic1 n GLN 62 Ca -0.05 -3.77 -0.39 0.00 -0.01 0.00 0.00 57.00 52.78 1ic1 n GLN 62 Cb 0.63 -1.80 0.04 0.00 0.00 0.00 0.00 30.24 29.11 1ic1 n GLN 62 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1ic1 n PRO 63 N 1.88 1.36 -3.98 -1.09 -0.02 -1.20 -4.76 135.00 127.19 1ic1 n PRO 63 Ca 0.25 0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 61.93 1ic1 n PRO 63 Cb 0.45 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.45 1ic1 n PRO 63 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1ic1 s MET 64 N -2.65 1.81 0.54 -0.52 1.75 -1.25 -1.82 119.30 117.16 1ic1 s MET 64 Ca 0.71 -1.07 -0.18 0.00 -1.25 0.00 0.00 55.69 53.90 1ic1 s MET 64 Cb -0.45 -2.65 -0.06 0.00 2.84 0.00 0.00 34.83 34.52 1ic1 s MET 64 CO 0.50 -0.58 1.07 0.00 -0.65 0.00 0.00 175.02 175.37 1ic1 s TYR 66 N -2.09 -0.50 -0.09 0.00 -0.85 0.14 -0.60 117.35 113.36 1ic1 s TYR 66 Ca 0.68 1.17 0.00 0.00 -0.52 0.00 0.00 57.07 58.40 1ic1 s TYR 66 Cb -0.18 0.19 0.02 0.00 0.38 0.00 0.00 41.96 42.37 1ic1 s TYR 66 CO 0.28 -0.30 -0.08 -1.54 -1.52 0.00 0.00 175.55 172.39 1ic1 s SER 67 N -0.06 1.89 -0.16 -0.18 1.04 -0.18 -1.39 113.70 114.66 1ic1 s SER 67 Ca -0.03 -0.27 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 1ic1 s SER 67 Cb -0.03 -0.76 -0.04 0.00 0.10 0.00 0.00 66.02 65.28 1ic1 s SER 67 CO 0.02 -0.07 0.41 0.20 0.98 0.00 0.00 173.24 174.77 1ic1 s ASN 68 N 1.35 6.54 0.12 7.02 -0.87 -0.83 -1.37 114.94 126.89 1ic1 s ASN 68 Ca -0.02 0.64 0.02 0.00 -1.57 0.00 0.00 52.86 51.92 1ic1 s ASN 68 Cb -0.14 -2.24 -0.04 0.00 -0.02 0.00 0.00 41.25 38.81 1ic1 s ASN 68 CO -0.04 -0.01 -0.04 0.00 -2.57 0.00 0.00 177.10 174.44 1ic1 n PRO 70 N -0.09 0.29 0.00 0.00 -0.04 -1.26 -2.52 135.00 131.39 1ic1 n PRO 70 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1ic1 n PRO 70 Cb 0.61 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1ic1 n PRO 70 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ic1 n ASP 71 N 1.73 0.00 0.00 3.54 -0.08 -1.26 -5.15 116.55 115.33 1ic1 n ASP 71 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ic1 n ASP 71 Cb 0.15 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1ic1 n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ic1 n GLY 72 N -0.21 -1.38 3.42 0.27 0.00 -1.05 -5.16 105.19 101.09 1ic1 n GLY 72 Ca 0.00 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 1ic1 n GLY 72 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ic1 s GLN 73 N -1.04 1.54 0.08 1.61 0.74 -1.26 -2.02 119.66 119.31 1ic1 s GLN 73 Ca 0.00 -1.73 0.02 0.00 0.05 0.00 0.00 55.36 53.70 1ic1 s GLN 73 Cb 0.00 -1.38 -0.04 0.00 1.10 0.00 0.00 33.01 32.69 1ic1 s GLN 73 CO 0.00 0.18 -0.07 -1.12 -0.55 0.00 0.00 175.29 173.73 1ic1 s SER 74 N -3.44 1.11 0.16 6.67 0.01 -0.47 -4.92 113.70 112.83 1ic1 s SER 74 Ca 0.28 -0.87 -0.05 0.00 1.31 0.00 0.00 55.95 56.61 1ic1 s SER 74 Cb -0.00 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 1ic1 s SER 74 CO 0.12 -0.38 0.19 0.42 0.41 0.00 0.00 173.24 174.00 1ic1 s THR 75 N -2.93 0.07 -0.24 1.44 -4.23 -1.26 -1.01 115.64 107.47 1ic1 s THR 75 Ca 0.06 -1.66 -0.14 0.00 -1.18 0.00 0.00 61.69 58.76 1ic1 s THR 75 Cb 0.01 -2.02 0.07 0.00 1.34 0.00 0.00 72.50 71.89 1ic1 s THR 75 CO -0.03 -0.30 0.60 0.00 -0.54 0.00 0.00 174.62 174.35 1ic1 s ALA 76 N -4.03 -1.59 0.01 3.99 0.00 0.23 -4.60 121.76 115.78 1ic1 s ALA 76 Ca 0.23 2.08 0.03 0.00 0.00 0.00 0.00 51.96 54.30 1ic1 s ALA 76 Cb 0.05 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1ic1 s ALA 76 CO 0.03 -0.34 -0.03 0.15 0.00 0.00 0.00 175.76 175.57 1ic1 s LYS 77 N 1.43 2.64 -0.06 0.00 1.02 -1.26 0.15 119.74 123.66 1ic1 s LYS 77 Ca -0.09 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.24 1ic1 s LYS 77 Cb -0.06 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.65 1ic1 s LYS 77 CO -0.16 0.60 -0.14 -0.08 -0.92 0.00 0.00 175.35 174.66 1ic1 s THR 78 N -1.07 3.11 -0.26 2.17 -1.32 -0.75 -4.90 115.64 112.60 1ic1 s THR 78 Ca 0.19 -0.70 -0.16 0.00 -1.21 0.00 0.00 61.69 59.81 1ic1 s THR 78 Cb -0.11 -2.23 -0.03 0.00 -1.51 0.00 0.00 72.50 68.61 1ic1 s THR 78 CO 0.10 0.58 0.44 -0.36 -2.21 0.00 0.00 174.62 173.17 1ic1 s PHE 79 N -0.59 3.26 -0.21 9.09 0.40 -1.12 -3.25 117.98 125.56 1ic1 s PHE 79 Ca 0.08 0.52 -0.08 0.00 -0.60 0.00 0.00 56.93 56.86 1ic1 s PHE 79 Cb -0.11 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 1ic1 s PHE 79 CO 0.01 -0.25 0.07 -0.51 0.70 0.00 0.00 175.22 175.24 1ic1 s LEU 80 N 2.18 3.72 -0.23 -0.37 1.43 -0.12 0.54 118.68 125.83 1ic1 s LEU 80 Ca 0.18 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1ic1 s LEU 80 Cb -0.16 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1ic1 s LEU 80 CO 0.10 0.09 -0.13 -0.89 0.23 0.00 0.00 176.35 175.75 1ic1 s THR 81 N 0.85 2.37 -0.15 5.49 2.01 0.20 -2.43 115.64 123.99 1ic1 s THR 81 Ca 0.04 -1.16 -0.23 0.00 0.31 0.00 0.00 61.69 60.65 1ic1 s THR 81 Cb -0.14 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1ic1 s THR 81 CO 0.02 0.26 0.71 -0.69 -0.69 0.00 0.00 174.62 174.23 1ic1 s VAL 82 N 1.25 4.99 0.14 3.82 1.01 -1.26 -0.91 120.40 129.44 1ic1 s VAL 82 Ca -0.01 1.39 0.09 0.00 0.00 0.00 0.00 61.98 63.45 1ic1 s VAL 82 Cb -0.16 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1ic1 s VAL 82 CO -0.08 0.13 -0.16 -0.72 0.00 0.00 0.00 175.10 174.27 1ic1 s TYR 83 N 1.65 2.55 -0.28 5.22 -0.85 0.52 -4.45 117.35 121.70 1ic1 s TYR 83 Ca 0.34 -0.25 -0.21 0.00 -0.52 0.00 0.00 57.07 56.42 1ic1 s TYR 83 Cb -0.17 -1.32 0.12 0.00 0.38 0.00 0.00 41.96 40.98 1ic1 s TYR 83 CO 0.13 0.43 0.98 1.67 -1.52 0.00 0.00 175.55 177.24 1ic1 s TRP 84 N -1.35 -0.56 0.54 -3.49 1.48 -0.62 -0.29 118.94 114.66 1ic1 s TRP 84 Ca 0.20 1.25 -0.18 0.00 -1.06 0.00 0.00 56.10 56.32 1ic1 s TRP 84 Cb -0.10 0.37 -0.06 0.00 -1.16 0.00 0.00 33.47 32.53 1ic1 s TRP 84 CO 0.12 -0.27 1.05 0.95 -4.06 0.00 0.00 176.95 174.73 1ic1 s THR 85 N 0.71 3.77 1.08 0.66 -4.23 -1.26 -2.51 115.64 113.86 1ic1 s THR 85 Ca -0.02 0.97 -0.20 0.00 -1.18 0.00 0.00 61.69 61.26 1ic1 s THR 85 Cb -0.05 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.42 1ic1 s THR 85 CO -0.10 -0.37 -0.35 -2.65 -0.54 0.00 0.00 174.62 170.62 1ic1 n PRO 86 N -1.50 -1.31 -0.01 3.99 -0.02 -1.26 -4.21 135.00 130.68 1ic1 n PRO 86 Ca 0.09 -0.37 0.04 0.00 -2.02 0.00 0.00 63.50 61.24 1ic1 n PRO 86 Cb 0.53 -1.51 -0.08 0.00 -0.02 0.00 0.00 33.50 32.42 1ic1 n PRO 86 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ic1 n GLU 87 N -0.96 0.50 -3.27 -0.52 1.02 0.24 -4.71 120.64 112.93 1ic1 n GLU 87 Ca 0.00 -0.08 -0.04 0.00 -0.02 0.00 0.00 57.16 57.02 1ic1 n GLU 87 Cb 0.63 -1.23 -0.05 0.00 -0.02 0.00 0.00 31.44 30.76 1ic1 n GLU 87 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1ic1 s ARG 88 N -2.65 0.44 -0.40 3.49 6.06 -1.00 -4.98 118.95 119.92 1ic1 s ARG 88 Ca -0.04 0.62 0.03 0.00 -2.50 0.00 0.00 55.73 53.85 1ic1 s ARG 88 Cb 0.06 -0.10 0.11 0.00 0.06 0.00 0.00 34.95 35.08 1ic1 s ARG 88 CO 0.41 -0.71 0.13 0.14 -2.50 0.00 0.00 175.30 172.76 1ic1 s VAL 89 N 2.66 2.21 0.12 7.11 -7.23 -1.26 0.04 120.40 124.04 1ic1 s VAL 89 Ca 0.15 -2.57 -0.21 0.00 -1.81 0.00 0.00 61.98 57.53 1ic1 s VAL 89 Cb -0.15 -2.60 0.06 0.00 0.56 0.00 0.00 36.38 34.25 1ic1 s VAL 89 CO -0.20 -0.68 0.54 -1.61 -0.31 0.00 0.00 175.10 172.83 1ic1 s GLU 90 N 0.57 1.16 0.24 4.82 2.02 -0.45 -3.98 118.70 123.09 1ic1 s GLU 90 Ca 0.13 -0.44 -0.27 0.00 0.02 0.00 0.00 54.97 54.41 1ic1 s GLU 90 Cb -0.21 0.53 -0.09 0.00 0.10 0.00 0.00 34.13 34.46 1ic1 s GLU 90 CO -0.07 -0.47 0.88 -0.51 0.02 0.00 0.00 175.26 175.11 1ic1 s LEU 91 N -2.51 4.51 0.20 1.80 1.43 -1.26 -0.62 118.68 122.23 1ic1 s LEU 91 Ca -0.00 1.78 -0.32 0.00 -1.03 0.00 0.00 54.13 54.56 1ic1 s LEU 91 Cb -0.00 -3.64 -0.15 0.00 0.03 0.00 0.00 46.19 42.43 1ic1 s LEU 91 CO -0.09 0.09 1.26 0.00 0.23 0.00 0.00 176.35 177.84 1ic1 n ALA 92 N 1.16 -0.00 -1.50 4.21 0.00 0.77 -4.81 120.51 120.34 1ic1 n ALA 92 Ca -0.02 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 1ic1 n ALA 92 Cb 0.49 -2.13 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 1ic1 n ALA 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ic1 n PRO 93 N 1.86 0.81 -3.64 0.00 -0.04 -1.26 -4.84 135.00 127.88 1ic1 n PRO 93 Ca 0.14 0.29 -0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1ic1 n PRO 93 Cb 0.27 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.06 1ic1 n PRO 93 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ic1 s LEU 94 N 1.27 -0.77 0.05 1.53 1.43 -1.26 -5.09 118.68 115.83 1ic1 s LEU 94 Ca 0.62 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.86 1ic1 s LEU 94 Cb -0.67 2.40 -0.08 0.00 0.03 0.00 0.00 46.19 47.88 1ic1 s LEU 94 CO 0.58 -0.24 1.66 -2.84 0.23 0.00 0.00 176.35 175.74 1ic1 s PRO 95 N 0.79 4.20 0.19 1.29 0.02 -1.26 -4.90 135.00 135.32 1ic1 s PRO 95 Ca -0.03 2.31 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 1ic1 s PRO 95 Cb -0.05 -3.69 0.14 0.00 0.02 0.00 0.00 34.50 30.92 1ic1 s PRO 95 CO -0.06 -0.76 1.83 1.03 -0.33 0.00 0.00 177.00 178.71 1ic1 h SER 96 N 8.61 0.59 -3.53 2.53 0.87 -1.93 -3.40 113.55 117.28 1ic1 h SER 96 Ca -0.42 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.56 1ic1 h SER 96 Cb 1.20 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.96 1ic1 h SER 96 CO 0.93 0.41 0.79 0.26 -0.53 0.00 0.00 176.83 178.69 1ic1 s TRP 97 N -6.13 2.99 0.17 2.24 0.52 -1.25 -0.94 118.94 116.53 1ic1 s TRP 97 Ca -0.13 0.84 0.10 0.00 0.02 0.00 0.00 56.10 56.93 1ic1 s TRP 97 Cb 0.14 -3.97 -0.04 0.00 -1.15 0.00 0.00 33.47 28.45 1ic1 s TRP 97 CO 0.75 -0.99 -0.23 -0.65 0.02 0.00 0.00 176.95 175.85 1ic1 s GLN 98 N 3.90 1.40 -0.02 4.98 -1.52 0.21 -4.96 119.66 123.64 1ic1 s GLN 98 Ca 0.44 -1.43 -0.30 0.00 -1.95 0.00 0.00 55.36 52.12 1ic1 s GLN 98 Cb -0.10 -1.69 -0.05 0.00 -0.22 0.00 0.00 33.01 30.95 1ic1 s GLN 98 CO 0.23 0.37 1.32 -2.14 -0.25 0.00 0.00 175.29 174.82 1ic1 s PRO 99 N -2.50 4.31 -0.69 2.91 0.02 -1.26 -2.36 135.00 135.43 1ic1 s PRO 99 Ca 0.17 1.84 -0.26 0.00 0.02 0.00 0.00 61.00 62.77 1ic1 s PRO 99 Cb -0.08 -3.57 -0.10 0.00 0.02 0.00 0.00 34.50 30.77 1ic1 s PRO 99 CO 0.08 -0.52 2.36 0.08 -0.33 0.00 0.00 177.00 178.66 1ic1 s VAL 100 N 2.34 3.05 0.00 3.83 1.01 0.39 -3.53 120.40 127.49 1ic1 s VAL 100 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1ic1 s VAL 100 Cb -0.29 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1ic1 s VAL 100 CO 0.24 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1ic1 n GLY 101 N 6.49 0.48 2.98 4.51 0.00 0.13 -4.94 105.19 114.84 1ic1 n GLY 101 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 1ic1 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ic1 s LYS 102 N 0.00 0.31 -1.11 1.61 -2.85 -1.23 -4.88 119.74 111.59 1ic1 s LYS 102 Ca 0.00 -0.55 -0.23 0.00 -1.00 0.00 0.00 55.97 54.19 1ic1 s LYS 102 Cb 0.00 0.03 -0.07 0.00 -2.06 0.00 0.00 37.83 35.73 1ic1 s LYS 102 CO 0.00 -0.03 1.92 1.21 0.10 0.00 0.00 175.35 178.56 1ic1 s ASN 103 N -1.28 5.15 0.13 0.03 2.47 -1.26 -0.85 114.94 119.33 1ic1 s ASN 103 Ca -0.13 -1.43 -0.30 0.00 0.42 0.00 0.00 52.86 51.42 1ic1 s ASN 103 Cb -0.09 -2.58 -0.06 0.00 -1.45 0.00 0.00 41.25 37.07 1ic1 s ASN 103 CO -0.01 -2.90 1.00 -0.22 -3.72 0.00 0.00 177.10 171.25 1ic1 s LEU 104 N 10.44 4.50 -0.31 3.21 2.96 0.45 -4.91 118.68 135.02 1ic1 s LEU 104 Ca 0.68 1.88 -0.04 0.00 -0.22 0.00 0.00 54.13 56.43 1ic1 s LEU 104 Cb -0.02 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 43.12 1ic1 s LEU 104 CO 0.09 -0.10 0.04 0.28 -1.32 0.00 0.00 176.35 175.34 1ic1 s THR 105 N -0.11 3.32 0.65 3.68 -1.32 -1.26 -0.14 115.64 120.47 1ic1 s THR 105 Ca 0.47 -1.25 -0.11 0.00 -1.21 0.00 0.00 61.69 59.59 1ic1 s THR 105 Cb -0.25 -2.88 -0.02 0.00 -1.51 0.00 0.00 72.50 67.84 1ic1 s THR 105 CO 0.31 -0.12 1.05 -0.76 -2.21 0.00 0.00 174.62 172.89 1ic1 s LEU 106 N 1.32 3.16 -0.30 9.08 1.43 -0.43 -4.98 118.68 127.96 1ic1 s LEU 106 Ca -0.03 1.46 -0.05 0.00 -1.03 0.00 0.00 54.13 54.48 1ic1 s LEU 106 Cb -0.19 -4.43 0.19 0.00 0.03 0.00 0.00 46.19 41.78 1ic1 s LEU 106 CO 0.00 -1.11 0.76 -0.60 0.23 0.00 0.00 176.35 175.64 1ic1 s ARG 107 N -5.15 0.43 -0.05 1.70 3.52 -1.26 -3.30 118.95 114.84 1ic1 s ARG 107 Ca 0.56 0.75 -0.17 0.00 -0.13 0.00 0.00 55.73 56.74 1ic1 s ARG 107 Cb -0.12 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.63 1ic1 s ARG 107 CO 0.54 -0.48 0.46 0.00 -0.81 0.00 0.00 175.30 175.01 1ic1 s GLN 109 N -0.25 3.03 -0.07 0.00 -0.21 0.21 -2.16 119.66 120.20 1ic1 s GLN 109 Ca 0.25 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 54.78 1ic1 s GLN 109 Cb -0.16 -2.37 0.02 0.00 1.00 0.00 0.00 33.01 31.50 1ic1 s GLN 109 CO 0.12 0.07 -0.11 0.08 -2.12 0.00 0.00 175.29 173.34 1ic1 s VAL 110 N 0.60 1.07 0.09 1.09 1.01 -0.18 -1.33 120.40 122.74 1ic1 s VAL 110 Ca -0.12 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1ic1 s VAL 110 Cb -0.17 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1ic1 s VAL 110 CO 0.03 0.35 -0.18 -1.83 0.00 0.00 0.00 175.10 173.46 1ic1 s GLU 111 N 0.90 1.02 1.50 2.72 -1.05 0.11 0.11 118.70 124.00 1ic1 s GLU 111 Ca -0.10 -1.10 0.00 0.00 -0.15 0.00 0.00 54.97 53.62 1ic1 s GLU 111 Cb -0.15 -1.18 0.00 0.00 -0.44 0.00 0.00 34.13 32.36 1ic1 s GLU 111 CO 0.01 0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.90 1ic1 n GLY 112 N 1.12 -0.62 1.23 -3.83 0.00 -1.26 -0.59 105.19 101.24 1ic1 n GLY 112 Ca -0.20 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1ic1 n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ic1 n GLY 113 N 0.00 -3.91 3.61 -0.02 0.00 -1.26 -4.78 105.19 98.83 1ic1 n GLY 113 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1ic1 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ic1 s ALA 114 N -0.17 -1.79 -0.26 4.61 0.00 -1.04 -4.21 121.76 118.89 1ic1 s ALA 114 Ca 0.00 1.86 -0.29 0.00 0.00 0.00 0.00 51.96 53.53 1ic1 s ALA 114 Cb 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 1ic1 s ALA 114 CO 0.00 -0.34 1.26 -2.14 0.00 0.00 0.00 175.76 174.54 1ic1 s PRO 115 N 0.01 4.04 0.61 0.00 0.02 -1.26 -1.58 135.00 136.83 1ic1 s PRO 115 Ca -0.02 1.37 0.31 0.00 0.02 0.00 0.00 61.00 62.68 1ic1 s PRO 115 Cb -0.04 -3.82 1.78 0.00 0.02 0.00 0.00 34.50 32.44 1ic1 s PRO 115 CO 0.02 -0.96 2.14 0.00 -0.33 0.00 0.00 177.00 177.88 1ic1 h ARG 116 N 8.79 0.00 -0.28 5.54 3.08 -1.91 0.33 114.38 129.94 1ic1 h ARG 116 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1ic1 h ARG 116 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1ic1 h ARG 116 CO 1.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.91 1ic1 n ALA 117 N -2.25 2.51 -0.96 0.04 0.00 -1.26 -2.06 120.51 116.53 1ic1 n ALA 117 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.06 1ic1 n ALA 117 Cb 0.27 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.75 1ic1 n ALA 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ic1 n ASN 118 N 0.14 0.72 -4.02 0.00 5.03 0.09 -5.01 115.26 112.21 1ic1 n ASN 118 Ca 0.07 -1.64 -0.31 0.00 0.87 0.00 0.00 54.58 53.57 1ic1 n ASN 118 Cb 0.22 -0.08 -0.16 0.00 -1.02 0.00 0.00 39.78 38.74 1ic1 n ASN 118 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ic1 s LEU 119 N -0.53 2.64 -0.09 3.41 2.96 -0.87 -1.86 118.68 124.34 1ic1 s LEU 119 Ca 0.03 -1.06 0.04 0.00 -0.22 0.00 0.00 54.13 52.92 1ic1 s LEU 119 Cb 0.03 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 1ic1 s LEU 119 CO 0.00 -0.16 -0.21 0.42 -1.32 0.00 0.00 176.35 175.08 1ic1 s THR 120 N 1.30 2.34 0.09 3.68 -4.23 -0.81 -1.60 115.64 116.41 1ic1 s THR 120 Ca -0.04 -0.94 -0.12 0.00 -1.18 0.00 0.00 61.69 59.41 1ic1 s THR 120 Cb -0.17 -1.90 -0.06 0.00 1.34 0.00 0.00 72.50 71.70 1ic1 s THR 120 CO -0.07 0.56 0.46 0.68 -0.54 0.00 0.00 174.62 175.70 1ic1 s VAL 121 N 0.13 4.99 -0.09 2.29 -7.23 -0.76 -0.89 120.40 118.84 1ic1 s VAL 121 Ca -0.11 0.67 -0.01 0.00 -1.81 0.00 0.00 61.98 60.73 1ic1 s VAL 121 Cb -0.16 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.11 1ic1 s VAL 121 CO 0.06 0.33 -0.04 0.54 -0.31 0.00 0.00 175.10 175.68 1ic1 s VAL 122 N -1.36 0.73 0.29 1.32 0.11 0.25 -2.74 120.40 119.00 1ic1 s VAL 122 Ca 0.33 -0.11 -0.25 0.00 -2.93 0.00 0.00 61.98 59.02 1ic1 s VAL 122 Cb -0.15 -0.81 -0.09 0.00 -1.53 0.00 0.00 36.38 33.80 1ic1 s VAL 122 CO 0.18 0.32 0.89 -0.76 -3.33 0.00 0.00 175.10 172.39 1ic1 s LEU 123 N 1.76 4.38 -0.03 2.54 1.43 -1.21 0.27 118.68 127.81 1ic1 s LEU 123 Ca 0.04 1.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1ic1 s LEU 123 Cb -0.13 -3.85 0.02 0.00 0.03 0.00 0.00 46.19 42.26 1ic1 s LEU 123 CO -0.06 -0.01 -0.03 -0.76 0.23 0.00 0.00 176.35 175.71 1ic1 s LEU 124 N -1.92 1.36 -0.69 1.79 1.43 0.40 -1.64 118.68 119.41 1ic1 s LEU 124 Ca 0.47 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.33 1ic1 s LEU 124 Cb -0.19 -0.35 0.18 0.00 0.03 0.00 0.00 46.19 45.86 1ic1 s LEU 124 CO 0.24 -0.05 0.64 -0.60 0.23 0.00 0.00 176.35 176.81 1ic1 s ARG 125 N 0.82 3.31 -1.58 1.70 3.00 -0.98 -0.54 118.95 124.67 1ic1 s ARG 125 Ca -0.10 -2.09 -0.14 0.00 -1.00 0.00 0.00 55.73 52.40 1ic1 s ARG 125 Cb -0.13 -4.37 0.10 0.00 0.00 0.00 0.00 34.95 30.56 1ic1 s ARG 125 CO -0.00 -1.31 0.85 0.41 0.00 0.00 0.00 175.30 175.24 1ic1 n GLY 126 N 4.59 -0.44 0.92 8.12 0.00 0.36 -2.36 105.19 116.39 1ic1 n GLY 126 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ic1 n GLY 126 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ic1 n GLU 127 N -4.52 0.00 -4.78 1.61 -0.58 -1.26 -4.99 120.64 106.11 1ic1 n GLU 127 Ca 0.01 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 1ic1 n GLU 127 Cb 0.53 -0.83 -0.17 0.00 -0.57 0.00 0.00 31.44 30.41 1ic1 n GLU 127 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1ic1 s LYS 128 N -0.68 2.92 0.16 3.49 1.02 -0.99 -5.08 119.74 120.58 1ic1 s LYS 128 Ca 0.00 -0.82 -0.33 0.00 0.02 0.00 0.00 55.97 54.83 1ic1 s LYS 128 Cb 0.00 -2.33 -0.15 0.00 -0.52 0.00 0.00 37.83 34.83 1ic1 s LYS 128 CO 0.00 0.03 1.24 0.39 -0.92 0.00 0.00 175.35 176.09 1ic1 n GLU 129 N 3.94 1.31 -0.04 1.68 1.02 -1.26 -2.33 120.64 124.97 1ic1 n GLU 129 Ca -0.20 0.47 -0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1ic1 n GLU 129 Cb 0.52 -2.03 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 1ic1 n GLU 129 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ic1 n LEU 130 N 2.18 1.52 0.00 -4.62 7.94 -0.65 -4.82 117.00 118.55 1ic1 n LEU 130 Ca 0.15 0.05 -0.11 0.00 -1.11 0.00 0.00 56.01 54.99 1ic1 n LEU 130 Cb 0.25 -0.26 -0.04 0.00 0.53 0.00 0.00 43.42 43.90 1ic1 n LEU 130 CO 0.62 0.35 -0.06 1.17 -1.11 0.00 0.00 177.39 178.36 1ic1 n LYS 131 N -3.13 0.35 0.00 1.96 3.00 -1.07 -4.96 118.16 114.31 1ic1 n LYS 131 Ca -0.16 -1.75 0.00 0.00 -0.00 0.00 0.00 58.31 56.41 1ic1 n LYS 131 Cb 0.63 1.31 0.00 0.00 0.00 0.00 0.00 35.03 36.97 1ic1 n LYS 131 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1ic1 n ARG 132 N -0.37 0.00 -4.16 1.64 0.63 -1.26 -3.35 116.66 109.79 1ic1 n ARG 132 Ca 0.02 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.84 1ic1 n ARG 132 Cb 0.31 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.13 1ic1 n ARG 132 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1ic1 s GLU 133 N 0.00 1.26 0.63 -0.14 2.02 -1.11 -5.02 118.70 116.34 1ic1 s GLU 133 Ca 0.00 -1.55 -0.15 0.00 0.02 0.00 0.00 54.97 53.28 1ic1 s GLU 133 Cb 0.00 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.52 1ic1 s GLU 133 CO 0.00 -0.43 1.08 -2.14 0.02 0.00 0.00 175.26 173.79 1ic1 s PRO 134 N -4.13 3.07 -1.26 0.39 0.02 -1.26 -1.83 135.00 129.99 1ic1 s PRO 134 Ca 0.35 1.29 -0.17 0.00 0.02 0.00 0.00 61.00 62.49 1ic1 s PRO 134 Cb 0.06 -1.99 0.09 0.00 0.02 0.00 0.00 34.50 32.67 1ic1 s PRO 134 CO 0.11 -1.02 1.66 0.00 -0.33 0.00 0.00 177.00 177.41 1ic1 s ALA 135 N -2.41 3.44 -0.08 -1.55 0.00 -0.62 -4.74 121.76 115.79 1ic1 s ALA 135 Ca 0.65 -2.98 -0.17 0.00 0.00 0.00 0.00 51.96 49.46 1ic1 s ALA 135 Cb -0.18 -4.53 -0.05 0.00 0.00 0.00 0.00 23.12 18.36 1ic1 s ALA 135 CO 0.39 -3.20 0.45 0.08 0.00 0.00 0.00 175.76 173.48 1ic1 s VAL 136 N 3.69 5.13 0.00 0.00 1.01 -1.26 -4.87 120.40 124.11 1ic1 s VAL 136 Ca 0.51 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1ic1 s VAL 136 Cb 0.02 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1ic1 s VAL 136 CO 0.05 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1ic1 n GLY 137 N 2.82 0.03 0.00 4.51 0.00 -1.26 -4.18 105.19 107.12 1ic1 n GLY 137 Ca -0.09 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1ic1 n GLY 137 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ic1 n GLU 138 N 0.00 0.00 -2.42 1.61 4.07 -1.26 -4.52 120.64 118.12 1ic1 n GLU 138 Ca 0.00 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.71 1ic1 n GLU 138 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 1ic1 n GLU 138 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1ic1 s PRO 139 N 0.00 4.41 0.01 5.31 0.04 -1.26 -5.09 135.00 138.42 1ic1 s PRO 139 Ca 0.00 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 1ic1 s PRO 139 Cb 0.00 -2.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 1ic1 s PRO 139 CO 0.00 0.00 1.21 0.00 0.04 0.00 0.00 177.00 178.26 1ic1 s ALA 140 N -1.30 3.44 0.04 8.56 0.00 0.29 -4.79 121.76 128.00 1ic1 s ALA 140 Ca 0.50 0.76 0.05 0.00 0.00 0.00 0.00 51.96 53.27 1ic1 s ALA 140 Cb -0.31 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 1ic1 s ALA 140 CO 0.39 -0.59 -0.10 -1.21 0.00 0.00 0.00 175.76 174.25 1ic1 s GLU 141 N 1.60 2.34 -0.07 0.00 2.02 -1.26 -1.01 118.70 122.32 1ic1 s GLU 141 Ca 0.58 -0.86 -0.07 0.00 0.02 0.00 0.00 54.97 54.65 1ic1 s GLU 141 Cb -0.28 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.59 1ic1 s GLU 141 CO 0.26 0.56 0.19 0.54 0.02 0.00 0.00 175.26 176.83 1ic1 s VAL 142 N -1.03 0.01 0.10 2.63 0.11 -0.92 -4.91 120.40 116.39 1ic1 s VAL 142 Ca 0.18 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 1ic1 s VAL 142 Cb -0.11 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1ic1 s VAL 142 CO 0.09 -0.02 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.90 1ic1 s THR 143 N 0.00 0.56 0.06 5.04 2.01 -1.26 -1.42 115.64 120.62 1ic1 s THR 143 Ca -0.01 -1.92 -0.27 0.00 0.31 0.00 0.00 61.69 59.80 1ic1 s THR 143 Cb -0.02 -1.75 0.09 0.00 0.01 0.00 0.00 72.50 70.83 1ic1 s THR 143 CO 0.00 -0.80 0.87 0.28 -0.69 0.00 0.00 174.62 174.28 1ic1 s THR 144 N -3.72 0.00 -0.16 -0.82 -1.32 -1.21 -5.04 115.64 103.37 1ic1 s THR 144 Ca 0.14 -0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.46 1ic1 s THR 144 Cb 0.06 -1.24 0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1ic1 s THR 144 CO -0.04 0.00 -0.17 0.42 -2.21 0.00 0.00 174.62 172.62 1ic1 s THR 145 N -3.25 1.82 -0.30 5.08 -4.23 -1.26 -1.32 115.64 112.18 1ic1 s THR 145 Ca 0.06 -0.79 -0.15 0.00 -1.18 0.00 0.00 61.69 59.63 1ic1 s THR 145 Cb -0.01 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 1ic1 s THR 145 CO -0.07 0.50 0.38 -0.69 -0.54 0.00 0.00 174.62 174.20 1ic1 s VAL 146 N 1.38 5.16 -0.45 2.29 1.01 0.81 -4.89 120.40 125.71 1ic1 s VAL 146 Ca 0.05 0.36 -0.26 0.00 0.00 0.00 0.00 61.98 62.13 1ic1 s VAL 146 Cb -0.13 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1ic1 s VAL 146 CO -0.12 0.04 0.93 -0.76 0.00 0.00 0.00 175.10 175.19 1ic1 s LEU 147 N 2.08 3.99 -0.19 3.92 1.43 -1.26 -0.41 118.68 128.24 1ic1 s LEU 147 Ca 0.14 0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 1ic1 s LEU 147 Cb -0.16 -3.22 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 1ic1 s LEU 147 CO 0.11 -1.02 1.99 -0.69 0.23 0.00 0.00 176.35 176.96 1ic1 s VAL 148 N 3.73 3.22 0.05 -1.59 1.01 -0.03 -4.88 120.40 121.92 1ic1 s VAL 148 Ca 0.38 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1ic1 s VAL 148 Cb -0.10 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1ic1 s VAL 148 CO 0.25 -0.13 0.07 0.54 0.00 0.00 0.00 175.10 175.84 1ic1 n ARG 149 N 8.27 0.58 -0.01 2.72 1.74 -1.26 0.20 116.66 128.89 1ic1 n ARG 149 Ca 0.25 -0.20 -0.13 0.00 -0.77 0.00 0.00 57.85 56.99 1ic1 n ARG 149 Cb 0.45 -0.05 -0.14 0.00 -1.02 0.00 0.00 32.46 31.70 1ic1 n ARG 149 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1ic1 h ARG 150 N 0.00 0.10 0.00 5.56 2.43 -1.95 -3.32 114.38 117.20 1ic1 h ARG 150 Ca -0.02 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1ic1 h ARG 150 Cb 0.09 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1ic1 h ARG 150 CO 0.03 0.77 0.00 -0.40 -1.51 0.00 0.00 179.97 178.85 1ic1 n ASP 151 N -3.21 0.00 -0.05 -3.80 5.75 -1.26 -2.56 116.55 111.42 1ic1 n ASP 151 Ca -0.22 -0.93 0.13 0.00 -0.01 0.00 0.00 54.79 53.75 1ic1 n ASP 151 Cb 1.05 0.00 0.33 0.00 -1.03 0.00 0.00 41.12 41.47 1ic1 n ASP 151 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1ic1 n HIS 152 N -0.73 0.00 -1.77 2.11 8.25 -1.25 -4.83 115.22 117.00 1ic1 n HIS 152 Ca 0.07 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.13 1ic1 n HIS 152 Cb 0.03 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 30.91 1ic1 n HIS 152 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ic1 s HIS 153 N -2.89 2.41 0.00 4.41 5.65 -1.06 -1.98 115.29 121.83 1ic1 s HIS 153 Ca 0.15 1.25 0.00 0.00 0.25 0.00 0.00 55.06 56.71 1ic1 s HIS 153 Cb 0.18 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.64 1ic1 s HIS 153 CO 0.64 -3.02 0.00 0.41 -0.65 0.00 0.00 174.74 172.12 1ic1 n GLY 154 N 0.58 0.89 3.82 1.59 0.00 0.16 -4.94 105.19 107.29 1ic1 n GLY 154 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1ic1 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ic1 s ALA 155 N -2.37 2.90 0.23 4.61 0.00 -0.84 -4.79 121.76 121.50 1ic1 s ALA 155 Ca 0.00 0.33 0.09 0.00 0.00 0.00 0.00 51.96 52.38 1ic1 s ALA 155 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1ic1 s ALA 155 CO 0.00 -0.49 -0.16 -0.80 0.00 0.00 0.00 175.76 174.31 1ic1 s ASN 156 N -2.80 2.88 0.00 0.00 0.01 -1.26 0.10 114.94 113.88 1ic1 s ASN 156 Ca 0.62 -1.03 -0.02 0.00 -0.71 0.00 0.00 52.86 51.72 1ic1 s ASN 156 Cb -0.13 -0.19 -0.01 0.00 0.41 0.00 0.00 41.25 41.33 1ic1 s ASN 156 CO 0.32 -0.11 0.04 -0.36 -1.51 0.00 0.00 177.10 175.47 1ic1 s PHE 157 N -2.84 0.09 0.07 2.20 0.40 -0.34 0.14 117.98 117.71 1ic1 s PHE 157 Ca 0.25 -0.19 -0.13 0.00 -0.60 0.00 0.00 56.93 56.26 1ic1 s PHE 157 Cb -0.02 -0.08 0.02 0.00 0.51 0.00 0.00 43.02 43.45 1ic1 s PHE 157 CO 0.09 -0.15 0.29 -1.54 0.70 0.00 0.00 175.22 174.61 1ic1 s SER 158 N -0.88 -0.07 -0.27 1.36 1.04 0.30 -0.65 113.70 114.54 1ic1 s SER 158 Ca -0.10 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 1ic1 s SER 158 Cb -0.06 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1ic1 s SER 158 CO -0.00 -0.69 0.00 0.00 0.98 0.00 0.00 173.24 173.53 1ic1 s ARG 160 N 1.41 2.66 0.16 0.00 3.52 0.14 -1.43 118.95 125.43 1ic1 s ARG 160 Ca 0.02 -0.67 0.06 0.00 -0.13 0.00 0.00 55.73 55.01 1ic1 s ARG 160 Cb -0.17 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.60 1ic1 s ARG 160 CO -0.01 0.61 0.05 -0.08 -0.81 0.00 0.00 175.30 175.06 1ic1 s THR 161 N -1.05 4.02 -0.22 4.11 -1.32 0.30 0.84 115.64 122.32 1ic1 s THR 161 Ca 0.19 -1.27 -0.03 0.00 -1.21 0.00 0.00 61.69 59.36 1ic1 s THR 161 Cb -0.11 -3.02 0.07 0.00 -1.51 0.00 0.00 72.50 67.93 1ic1 s THR 161 CO 0.09 -0.09 0.08 -1.61 -2.21 0.00 0.00 174.62 170.87 1ic1 s GLU 162 N -2.96 0.42 -0.54 7.08 2.02 -0.07 -2.36 118.70 122.29 1ic1 s GLU 162 Ca 0.29 -0.44 -0.17 0.00 0.02 0.00 0.00 54.97 54.66 1ic1 s GLU 162 Cb -0.10 -1.85 0.11 0.00 0.10 0.00 0.00 34.13 32.40 1ic1 s GLU 162 CO 0.20 -0.77 0.55 -1.17 0.02 0.00 0.00 175.26 174.10 1ic1 s LEU 163 N 1.94 5.82 -0.50 1.80 2.96 0.40 -1.93 118.68 129.16 1ic1 s LEU 163 Ca 0.03 -1.58 -0.19 0.00 -0.22 0.00 0.00 54.13 52.18 1ic1 s LEU 163 Cb -0.17 -2.25 0.06 0.00 0.50 0.00 0.00 46.19 44.34 1ic1 s LEU 163 CO -0.16 -0.90 0.62 -1.81 -1.32 0.00 0.00 176.35 172.77 1ic1 s ASP 164 N 3.42 6.22 -1.06 3.68 1.01 -0.78 0.08 116.67 129.24 1ic1 s ASP 164 Ca 0.06 -0.92 -0.02 0.00 0.71 0.00 0.00 52.55 52.38 1ic1 s ASP 164 Cb -0.27 -2.29 0.30 0.00 1.01 0.00 0.00 42.92 41.67 1ic1 s ASP 164 CO 0.05 -0.88 1.83 0.18 0.21 0.00 0.00 175.17 176.56 1ic1 n LEU 165 N 6.14 7.29 -4.66 1.23 4.77 -0.35 -4.95 117.00 126.47 1ic1 n LEU 165 Ca -0.07 -5.32 -0.43 0.00 -0.03 0.00 0.00 56.01 50.17 1ic1 n LEU 165 Cb 0.45 -1.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 1ic1 n LEU 165 CO 0.54 2.00 1.21 0.00 -1.33 0.00 0.00 177.39 179.80 1ic1 s ARG 166 N -3.81 4.21 0.00 3.23 1.70 -1.26 -3.08 118.95 119.94 1ic1 s ARG 166 Ca 0.39 1.90 0.00 0.00 -0.47 0.00 0.00 55.73 57.56 1ic1 s ARG 166 Cb 0.17 -3.86 0.00 0.00 -0.57 0.00 0.00 34.95 30.69 1ic1 s ARG 166 CO -0.09 -0.76 0.00 -2.30 -1.08 0.00 0.00 175.30 171.06 1ic1 n PRO 167 N 6.81 0.00 0.21 3.89 -0.02 -1.26 -3.66 135.00 140.96 1ic1 n PRO 167 Ca 0.15 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.76 1ic1 n PRO 167 Cb 0.44 0.00 0.73 0.00 -0.02 0.00 0.00 33.50 34.65 1ic1 n PRO 167 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1ic1 h GLN 168 N 0.00 0.00 0.00 -0.52 3.07 -1.97 -3.45 115.11 112.24 1ic1 h GLN 168 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1ic1 h GLN 168 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1ic1 h GLN 168 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.33 1ic1 n GLY 169 N -1.50 0.00 1.59 0.06 0.00 -1.19 -5.01 105.19 99.13 1ic1 n GLY 169 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ic1 n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ic1 n LEU 170 N 0.00 0.00 -3.82 0.99 4.77 -1.18 -5.04 117.00 112.73 1ic1 n LEU 170 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1ic1 n LEU 170 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ic1 n LEU 170 CO 0.00 -0.40 0.68 -1.61 -1.33 0.00 0.00 177.39 174.73 1ic1 s GLU 171 N -0.81 1.54 -0.54 3.23 0.41 -1.25 -5.03 118.70 116.25 1ic1 s GLU 171 Ca 0.00 -0.93 -0.17 0.00 -0.41 0.00 0.00 54.97 53.45 1ic1 s GLU 171 Cb 0.00 0.47 0.10 0.00 -1.78 0.00 0.00 34.13 32.92 1ic1 s GLU 171 CO 0.00 -0.71 0.57 -1.17 -0.49 0.00 0.00 175.26 173.46 1ic1 s LEU 172 N -3.12 5.63 -0.36 1.80 2.96 -1.26 -1.21 118.68 123.12 1ic1 s LEU 172 Ca 0.16 -1.46 -0.20 0.00 -0.22 0.00 0.00 54.13 52.41 1ic1 s LEU 172 Cb -0.03 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.39 1ic1 s LEU 172 CO 0.06 -0.92 0.62 -0.36 -1.32 0.00 0.00 176.35 174.43 1ic1 s PHE 173 N 2.14 3.15 0.20 5.38 0.08 0.11 -4.92 117.98 124.11 1ic1 s PHE 173 Ca 0.08 0.31 0.09 0.00 0.12 0.00 0.00 56.93 57.53 1ic1 s PHE 173 Cb -0.25 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 1ic1 s PHE 173 CO 0.06 -0.63 -0.08 -1.21 -0.10 0.00 0.00 175.22 173.26 1ic1 s GLU 174 N 2.68 2.09 -0.03 0.44 2.02 -1.26 -0.46 118.70 124.18 1ic1 s GLU 174 Ca 0.24 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1ic1 s GLU 174 Cb -0.15 -2.15 0.03 0.00 0.10 0.00 0.00 34.13 31.96 1ic1 s GLU 174 CO 0.15 0.42 0.02 -0.80 0.02 0.00 0.00 175.26 175.07 1ic1 s ASN 175 N -2.97 0.34 -0.17 -0.19 0.02 -1.00 -4.95 114.94 106.02 1ic1 s ASN 175 Ca 0.26 0.01 -0.03 0.00 -1.02 0.00 0.00 52.86 52.07 1ic1 s ASN 175 Cb -0.08 -0.15 -0.02 0.00 0.02 0.00 0.00 41.25 41.01 1ic1 s ASN 175 CO 0.16 -0.12 -0.05 -0.89 0.02 0.00 0.00 177.10 176.22 1ic1 s THR 176 N 1.14 3.64 1.07 1.60 2.01 -1.26 -0.54 115.64 123.30 1ic1 s THR 176 Ca -0.08 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 1ic1 s THR 176 Cb -0.13 -2.61 0.23 0.00 0.01 0.00 0.00 72.50 70.00 1ic1 s THR 176 CO -0.02 0.47 1.07 -0.94 -0.69 0.00 0.00 174.62 174.50 1ic1 s SER 177 N 0.73 1.94 0.20 3.53 1.04 -0.51 -4.94 113.70 115.69 1ic1 s SER 177 Ca -0.02 1.34 -0.30 0.00 0.48 0.00 0.00 55.95 57.45 1ic1 s SER 177 Cb -0.15 -2.06 -0.09 0.00 0.10 0.00 0.00 66.02 63.83 1ic1 s SER 177 CO 0.02 -3.58 1.31 0.00 0.98 0.00 0.00 173.24 171.97 1ic1 s ALA 178 N -2.75 3.52 0.60 5.32 0.00 -1.26 -4.72 121.76 122.47 1ic1 s ALA 178 Ca 0.67 1.11 -0.19 0.00 0.00 0.00 0.00 51.96 53.55 1ic1 s ALA 178 Cb -0.21 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1ic1 s ALA 178 CO 0.60 -0.54 1.21 -1.25 0.00 0.00 0.00 175.76 175.78 1ic1 s PRO 179 N -0.09 2.92 -0.10 0.00 0.04 -1.26 -4.69 135.00 131.82 1ic1 s PRO 179 Ca 0.57 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1ic1 s PRO 179 Cb -0.36 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1ic1 s PRO 179 CO 0.38 -1.24 -0.10 -0.47 0.04 0.00 0.00 177.00 175.61 1ic1 s TYR 180 N -1.62 2.86 -0.28 0.56 5.04 0.18 -4.94 117.35 119.15 1ic1 s TYR 180 Ca 0.77 -0.31 -0.07 0.00 -2.44 0.00 0.00 57.07 55.02 1ic1 s TYR 180 Cb -0.30 -1.78 -0.01 0.00 0.35 0.00 0.00 41.96 40.21 1ic1 s TYR 180 CO 0.34 0.04 0.09 1.14 -1.34 0.00 0.00 175.55 175.82 1ic1 s GLN 181 N -0.17 3.35 -0.41 4.97 -2.07 -1.26 -1.20 119.66 122.87 1ic1 s GLN 181 Ca 0.01 -0.69 -0.23 0.00 -1.82 0.00 0.00 55.36 52.63 1ic1 s GLN 181 Cb -0.13 -3.38 0.02 0.00 -1.09 0.00 0.00 33.01 28.42 1ic1 s GLN 181 CO 0.03 -0.34 0.76 -1.17 -1.32 0.00 0.00 175.29 173.25 1ic1 s LEU 182 N 1.56 4.22 -0.27 2.60 0.20 0.12 -4.51 118.68 122.60 1ic1 s LEU 182 Ca 0.04 0.06 -0.06 0.00 0.69 0.00 0.00 54.13 54.87 1ic1 s LEU 182 Cb -0.16 -2.95 0.01 0.00 -0.43 0.00 0.00 46.19 42.65 1ic1 s LEU 182 CO 0.03 -0.81 0.04 -1.10 -0.29 0.00 0.00 176.35 174.22 1ic1 s GLN 183 N 3.14 3.13 0.21 1.98 -0.21 -0.12 0.41 119.66 128.20 1ic1 s GLN 183 Ca 0.29 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.88 1ic1 s GLN 183 Cb -0.13 -3.26 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 1ic1 s GLN 183 CO 0.20 -0.39 0.35 0.95 -2.12 0.00 0.00 175.29 174.29 1ic1 s THR 184 N 1.48 5.26 0.07 -0.19 -4.23 -1.26 0.68 115.64 117.45 1ic1 s THR 184 Ca 0.03 -0.72 -0.21 0.00 -1.18 0.00 0.00 61.69 59.62 1ic1 s THR 184 Cb -0.17 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 69.93 1ic1 s THR 184 CO 0.01 -0.23 0.49 0.72 -0.54 0.00 0.00 174.62 175.06 1ic1 s PHE 185 N -1.90 -0.37 0.00 3.99 -0.12 -1.00 -4.88 117.98 113.70 1ic1 s PHE 185 Ca 0.36 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.54 1ic1 s PHE 185 Cb -0.10 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.62 1ic1 s PHE 185 CO 0.29 -0.66 0.00 0.28 -0.05 0.00 0.00 175.22 175.08 1ic1 n VAL 186 N 0.22 0.00 0.00 -2.49 0.31 -1.26 -0.46 118.33 114.64 1ic1 n VAL 186 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1ic1 n VAL 186 Cb 0.61 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 1ic1 n VAL 186 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ic1 n LEU 187 N 0.00 0.00 0.00 7.52 7.94 -1.26 -4.81 117.00 126.39 1ic1 n LEU 187 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ic1 n LEU 187 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1ic1 n LEU 187 CO 0.00 0.00 0.00 -2.65 -1.11 0.00 0.00 177.39 173.63 1ic1 n PRO 188 N 0.00 0.00 0.00 1.96 -0.02 -1.26 -5.16 135.00 130.52 1ic1 n PRO 188 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ic1 n PRO 188 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1ic1 n PRO 188 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ic1 n ALA 189 N 0.00 0.00 -0.11 3.55 0.00 -1.26 -5.39 120.51 117.30 1ic1 n ALA 189 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ic1 n ALA 189 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ic1 n ALA 189 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13