#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x52 n SER 2 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.04 113.62 111.81 1x52 n SER 2 Ca 0.00 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 1x52 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x52 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x52 n SER 3 N -2.82 0.00 -4.67 -3.46 2.88 -1.26 -4.68 113.62 99.61 1x52 n SER 3 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1x52 n SER 3 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1x52 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x52 s GLY 4 N -0.57 1.91 0.00 0.46 0.00 -1.26 -5.08 107.32 102.78 1x52 s GLY 4 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 42.89 1x52 s GLY 4 CO 0.00 -1.80 0.02 1.44 0.00 0.00 0.00 173.10 172.76 1x52 n SER 5 N -1.01 0.04 -4.83 1.64 7.64 -1.26 -5.02 113.62 110.82 1x52 n SER 5 Ca -0.04 -0.37 -0.37 0.00 1.01 0.00 0.00 58.87 59.10 1x52 n SER 5 Cb 0.61 0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.84 1x52 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x52 s SER 6 N -0.09 6.95 -0.34 6.43 0.15 -1.26 -5.02 113.70 120.52 1x52 s SER 6 Ca 0.00 1.18 0.03 0.00 0.70 0.00 0.00 55.95 57.86 1x52 s SER 6 Cb 0.00 -2.33 0.10 0.00 -1.71 0.00 0.00 66.02 62.08 1x52 s SER 6 CO 0.00 0.18 0.07 -0.83 1.20 0.00 0.00 173.24 173.86 1x52 s GLY 7 N -1.41 1.72 0.00 9.45 0.00 -1.26 -4.88 107.32 110.94 1x52 s GLY 7 Ca 0.34 -2.33 0.00 0.00 0.00 0.00 0.00 44.72 42.73 1x52 s GLY 7 CO 0.19 1.12 0.19 -1.30 0.00 0.00 0.00 173.10 173.30 1x52 n THR 8 N 4.38 0.00 -0.58 0.90 -2.24 -1.26 -5.06 114.28 110.42 1x52 n THR 8 Ca 0.03 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1x52 n THR 8 Cb 0.42 1.53 0.00 0.00 -2.10 0.00 0.00 70.33 70.18 1x52 n THR 8 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1x52 n VAL 9 N -0.04 0.00 -3.86 2.28 0.24 -1.26 -4.64 118.33 111.05 1x52 n VAL 9 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 1x52 n VAL 9 Cb 0.13 -1.38 0.03 0.00 -1.47 0.00 0.00 33.84 31.15 1x52 n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x52 n ALA 10 N -3.00 -2.60 -3.62 2.33 0.00 -1.26 -4.96 120.51 107.41 1x52 n ALA 10 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.75 1x52 n ALA 10 Cb 0.00 -3.24 -0.14 0.00 0.00 0.00 0.00 19.45 16.07 1x52 n ALA 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x52 s SER 11 N -3.46 3.57 0.00 0.00 0.15 -1.26 -4.98 113.70 107.71 1x52 s SER 11 Ca 0.46 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 55.19 1x52 s SER 11 Cb -0.21 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 1x52 s SER 11 CO 0.91 -0.36 0.00 0.54 1.20 0.00 0.00 173.24 175.53 1x52 n ARG 12 N 4.45 0.00 -1.37 5.44 3.00 -1.26 -5.13 116.66 121.79 1x52 n ARG 12 Ca 0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.58 1x52 n ARG 12 Cb 0.39 0.00 0.15 0.00 0.00 0.00 0.00 32.46 33.00 1x52 n ARG 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x52 s LEU 13 N 0.00 1.92 0.00 0.55 2.01 -1.26 -5.04 118.68 116.86 1x52 s LEU 13 Ca 0.00 1.12 0.00 0.00 0.01 0.00 0.00 54.13 55.26 1x52 s LEU 13 Cb 0.00 -3.42 0.00 0.00 0.01 0.00 0.00 46.19 42.78 1x52 s LEU 13 CO 0.00 -2.74 0.31 -1.20 1.01 0.00 0.00 176.35 173.74 1x52 n SER 14 N -3.91 0.00 -3.36 2.29 7.64 -1.26 -5.02 113.62 110.00 1x52 n SER 14 Ca 0.06 0.64 -0.26 0.00 1.01 0.00 0.00 58.87 60.32 1x52 n SER 14 Cb 0.58 -0.48 0.02 0.00 -1.01 0.00 0.00 64.21 63.32 1x52 n SER 14 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x52 n ASP 15 N -1.95 -6.17 -0.30 6.43 2.03 -1.26 -4.29 116.55 111.04 1x52 n ASP 15 Ca 0.00 -0.13 0.10 0.00 0.52 0.00 0.00 54.79 55.28 1x52 n ASP 15 Cb 0.00 -2.87 0.27 0.00 -0.72 0.00 0.00 41.12 37.79 1x52 n ASP 15 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1x52 h THR 16 N 1.50 0.57 0.19 5.18 2.02 -1.97 0.17 112.91 120.57 1x52 h THR 16 Ca -0.40 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1x52 h THR 16 Cb 1.28 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1x52 h THR 16 CO 0.25 0.09 -0.09 0.50 0.37 0.00 0.00 175.52 176.64 1x52 h LYS 17 N 0.47 -0.25 -0.51 6.66 3.64 -2.00 -1.46 116.57 123.12 1x52 h LYS 17 Ca 0.51 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.89 1x52 h LYS 17 Cb 0.88 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 1x52 h LYS 17 CO -0.47 0.06 0.22 0.00 -2.27 0.00 0.00 179.45 177.00 1x52 h ALA 18 N 0.16 1.44 -0.60 5.00 0.00 -1.63 -2.04 119.26 121.58 1x52 h ALA 18 Ca -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1x52 h ALA 18 Cb 0.42 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1x52 h ALA 18 CO 0.04 0.44 0.20 0.00 0.00 0.00 0.00 179.25 179.94 1x52 h ALA 19 N 1.53 0.79 -0.01 0.00 0.00 -0.60 0.63 119.26 121.60 1x52 h ALA 19 Ca 0.18 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1x52 h ALA 19 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1x52 h ALA 19 CO -0.02 0.44 -0.64 0.78 0.00 0.00 0.00 179.25 179.81 1x52 h GLY 20 N 0.85 0.04 0.61 0.00 0.00 -0.67 0.99 103.07 104.89 1x52 h GLY 20 Ca 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1x52 h GLY 20 CO -0.01 0.05 -0.02 0.83 0.00 0.00 0.00 176.54 177.39 1x52 h GLU 21 N 0.03 -0.06 -0.16 4.80 3.07 -1.18 0.04 114.58 121.12 1x52 h GLU 21 Ca -0.01 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.90 1x52 h GLU 21 Cb 1.14 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.02 1x52 h GLU 21 CO 0.09 0.32 -0.16 0.28 -1.40 0.00 0.00 179.01 178.14 1x52 h VAL 22 N -0.46 0.56 -0.79 3.13 2.07 -0.80 -0.09 116.25 119.88 1x52 h VAL 22 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1x52 h VAL 22 Cb 0.41 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1x52 h VAL 22 CO 0.01 0.00 0.50 0.50 0.02 0.00 0.00 177.57 178.60 1x52 h LYS 23 N -0.19 1.05 -0.21 1.57 3.11 -0.75 0.21 116.57 121.36 1x52 h LYS 23 Ca 0.11 -0.07 -0.13 0.00 -2.81 0.00 0.00 60.65 57.74 1x52 h LYS 23 Cb 0.34 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 1x52 h LYS 23 CO -0.27 0.71 -0.43 0.00 -2.81 0.00 0.00 179.45 176.65 1x52 h ALA 24 N 1.48 0.85 -0.09 5.00 0.00 -0.48 -0.74 119.26 125.28 1x52 h ALA 24 Ca 0.29 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1x52 h ALA 24 Cb -0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1x52 h ALA 24 CO -0.06 0.65 0.05 1.25 0.00 0.00 0.00 179.25 181.14 1x52 h LEU 25 N 0.42 0.11 0.20 0.00 5.85 0.02 -1.21 115.31 120.70 1x52 h LEU 25 Ca 0.03 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1x52 h LEU 25 Cb 0.93 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1x52 h LEU 25 CO 0.08 0.12 -0.38 -0.78 -0.34 0.00 0.00 178.44 177.14 1x52 h ASP 26 N 0.09 -1.08 -0.71 1.25 1.82 -0.89 0.05 116.42 116.95 1x52 h ASP 26 Ca 0.03 0.11 0.06 0.00 -0.39 0.00 0.00 57.03 56.84 1x52 h ASP 26 Cb 0.03 0.39 -0.06 0.00 0.68 0.00 0.00 39.33 40.38 1x52 h ASP 26 CO -0.01 -0.48 0.41 0.44 -1.61 0.00 0.00 179.24 178.00 1x52 h ASP 27 N -0.66 0.62 0.42 2.28 5.19 -1.05 0.43 116.42 123.64 1x52 h ASP 27 Ca 0.01 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1x52 h ASP 27 Cb 0.66 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1x52 h ASP 27 CO -0.17 0.40 -0.20 0.15 -3.12 0.00 0.00 179.24 176.29 1x52 h PHE 28 N 0.75 -0.52 -0.54 4.55 3.04 -0.99 -2.87 116.94 120.36 1x52 h PHE 28 Ca 0.32 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 1x52 h PHE 28 Cb 0.19 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 1x52 h PHE 28 CO -0.07 -0.27 0.29 1.88 -2.02 0.00 0.00 178.31 178.12 1x52 h TYR 29 N -0.66 0.72 -0.23 0.41 0.05 0.03 0.14 116.97 117.42 1x52 h TYR 29 Ca -0.06 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.75 1x52 h TYR 29 Cb 0.48 -0.23 -0.07 0.00 1.01 0.00 0.00 36.73 37.92 1x52 h TYR 29 CO -0.02 0.51 -0.54 -0.22 -1.05 0.00 0.00 178.16 176.83 1x52 h LYS 30 N 0.74 -0.50 -0.77 4.88 3.64 -0.95 -1.96 116.57 121.64 1x52 h LYS 30 Ca 0.19 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1x52 h LYS 30 Cb 0.03 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1x52 h LYS 30 CO -0.03 -0.33 0.37 0.52 -2.27 0.00 0.00 179.45 177.71 1x52 h MET 31 N -0.52 1.11 -0.44 1.90 2.86 -1.01 0.21 114.93 119.04 1x52 h MET 31 Ca 0.05 -0.16 0.13 0.00 -2.06 0.00 0.00 59.70 57.66 1x52 h MET 31 Cb 0.65 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1x52 h MET 31 CO -0.49 0.85 0.33 1.25 1.06 0.00 0.00 176.91 179.92 1x52 h LEU 32 N 1.10 0.00 0.02 1.22 5.85 -0.04 0.37 115.31 123.84 1x52 h LEU 32 Ca 0.27 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.63 1x52 h LEU 32 Cb 0.11 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1x52 h LEU 32 CO -0.03 0.00 -1.97 0.00 -0.34 0.00 0.00 178.44 176.10 1x52 n GLN 33 N -4.29 0.62 0.22 1.25 1.13 -0.95 -4.21 117.38 111.14 1x52 n GLN 33 Ca 0.08 0.37 -0.11 0.00 -1.94 0.00 0.00 57.00 55.39 1x52 n GLN 33 Cb 0.53 -1.63 -0.06 0.00 0.11 0.00 0.00 30.24 29.20 1x52 n GLN 33 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1x52 h HIS 34 N -0.70 -0.56 -1.99 1.08 3.86 -0.26 -3.43 115.15 113.15 1x52 h HIS 34 Ca -0.51 -0.01 -0.48 0.00 -1.16 0.00 0.00 60.37 58.20 1x52 h HIS 34 Cb 1.61 0.18 -0.33 0.00 1.06 0.00 0.00 27.41 29.93 1x52 h HIS 34 CO 0.02 -0.27 -0.87 -0.85 0.86 0.00 0.00 177.93 176.83 1x52 n GLU 35 N -5.19 0.30 0.02 2.45 0.28 0.12 -4.94 120.64 113.68 1x52 n GLU 35 Ca -0.09 -2.89 0.02 0.00 -0.16 0.00 0.00 57.16 54.04 1x52 n GLU 35 Cb 0.28 -1.60 0.10 0.00 1.43 0.00 0.00 31.44 31.66 1x52 n GLU 35 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1x52 n PRO 36 N 2.77 0.02 0.33 3.44 -0.04 -0.68 -0.57 135.00 140.27 1x52 n PRO 36 Ca 0.26 0.47 0.21 0.00 -0.04 0.00 0.00 63.50 64.41 1x52 n PRO 36 Cb 0.50 -1.55 1.16 0.00 -0.04 0.00 0.00 33.50 33.58 1x52 n PRO 36 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x52 h ASP 37 N 0.00 0.00 -0.60 3.54 3.32 -1.87 -1.68 116.42 119.13 1x52 h ASP 37 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x52 h ASP 37 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1x52 h ASP 37 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 1x52 n ARG 38 N -3.23 3.15 -3.59 3.56 1.74 0.27 -2.71 116.66 115.86 1x52 n ARG 38 Ca -0.03 -2.65 -0.29 0.00 -0.77 0.00 0.00 57.85 54.11 1x52 n ARG 38 Cb 0.08 -1.65 -0.13 0.00 -1.02 0.00 0.00 32.46 29.73 1x52 n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x52 s ALA 39 N -1.42 1.27 -0.09 7.54 0.00 -0.63 -1.27 121.76 127.16 1x52 s ALA 39 Ca 0.45 -1.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 1x52 s ALA 39 Cb 0.26 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 1x52 s ALA 39 CO 0.25 -1.94 0.25 -0.06 0.00 0.00 0.00 175.76 174.26 1x52 s PHE 40 N 1.19 3.62 0.05 0.00 0.40 -0.90 -4.86 117.98 117.48 1x52 s PHE 40 Ca 0.15 0.68 -0.01 0.00 -0.60 0.00 0.00 56.93 57.14 1x52 s PHE 40 Cb -0.21 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1x52 s PHE 40 CO -0.11 0.62 -0.02 1.52 0.70 0.00 0.00 175.22 177.94 1x52 s TYR 41 N -0.79 0.48 0.01 0.36 1.13 -1.26 -0.94 117.35 116.35 1x52 s TYR 41 Ca 0.18 -1.00 0.00 0.00 -1.41 0.00 0.00 57.07 54.84 1x52 s TYR 41 Cb -0.14 -0.36 0.00 0.00 -1.10 0.00 0.00 41.96 40.37 1x52 s TYR 41 CO 0.07 -0.37 0.00 0.41 -2.51 0.00 0.00 175.55 173.15 1x52 n GLY 42 N 0.24 -3.33 0.31 5.49 0.00 -0.11 -4.36 105.19 103.43 1x52 n GLY 42 Ca -0.15 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 44.91 1x52 n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x52 h LEU 43 N 0.10 -0.84 0.02 0.99 5.85 -1.94 0.01 115.31 119.49 1x52 h LEU 43 Ca 0.00 0.25 0.03 0.00 0.84 0.00 0.00 57.88 59.00 1x52 h LEU 43 Cb 0.00 0.54 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1x52 h LEU 43 CO 0.00 -0.28 -0.34 0.50 -0.34 0.00 0.00 178.44 177.98 1x52 h LYS 44 N -0.01 -0.49 0.45 1.25 1.63 -1.99 0.28 116.57 117.70 1x52 h LYS 44 Ca 0.39 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.21 1x52 h LYS 44 Cb 0.61 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.33 1x52 h LYS 44 CO -0.86 -0.33 -0.37 1.96 -3.45 0.00 0.00 179.45 176.40 1x52 h GLN 45 N -0.51 -0.79 -0.76 1.90 4.20 -1.20 -2.42 115.11 115.54 1x52 h GLN 45 Ca 0.05 0.05 0.17 0.00 0.06 0.00 0.00 58.65 58.99 1x52 h GLN 45 Cb 0.59 0.18 -0.12 0.00 0.30 0.00 0.00 27.48 28.43 1x52 h GLN 45 CO -0.27 -0.53 0.14 0.28 -0.67 0.00 0.00 178.83 177.78 1x52 h VAL 46 N -0.82 0.44 -0.74 -0.54 2.07 -1.35 0.96 116.25 116.26 1x52 h VAL 46 Ca -0.04 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.49 1x52 h VAL 46 Cb 0.71 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1x52 h VAL 46 CO -0.01 0.04 0.40 -0.33 0.02 0.00 0.00 177.57 177.68 1x52 h GLU 47 N 0.21 0.67 -0.70 1.57 5.08 -0.47 0.20 114.58 121.14 1x52 h GLU 47 Ca 0.43 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.69 1x52 h GLU 47 Cb 0.77 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1x52 h GLU 47 CO -0.57 0.44 0.19 -0.22 -1.00 0.00 0.00 179.01 177.86 1x52 h LYS 48 N 0.69 1.10 -0.21 2.33 1.63 -0.41 -0.42 116.57 121.28 1x52 h LYS 48 Ca 0.35 -0.25 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 1x52 h LYS 48 Cb 0.32 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1x52 h LYS 48 CO -0.24 0.96 -0.29 0.00 -3.45 0.00 0.00 179.45 176.43 1x52 h ALA 49 N 1.09 1.12 -0.35 5.00 0.00 -0.43 -1.20 119.26 124.49 1x52 h ALA 49 Ca 0.22 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1x52 h ALA 49 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1x52 h ALA 49 CO -0.00 0.55 -0.18 -0.97 0.00 0.00 0.00 179.25 178.65 1x52 h ASN 50 N 0.35 0.77 0.35 0.00 -1.24 -0.07 -2.09 115.58 113.65 1x52 h ASN 50 Ca 0.05 -0.41 0.00 0.00 0.71 0.00 0.00 56.30 56.65 1x52 h ASN 50 Cb 0.69 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1x52 h ASN 50 CO 0.05 1.01 0.00 -0.33 -1.29 0.00 0.00 177.43 176.87 1x52 h GLU 51 N 0.53 0.00 0.00 6.67 5.08 -1.01 -0.06 114.58 125.78 1x52 h GLU 51 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1x52 h GLU 51 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1x52 h GLU 51 CO 0.05 0.00 -0.24 0.00 -1.00 0.00 0.00 179.01 177.82 1x52 n ALA 52 N -2.08 2.61 -1.96 3.43 0.00 -0.46 -4.95 120.51 117.10 1x52 n ALA 52 Ca -0.02 -0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 1x52 n ALA 52 Cb 0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 1x52 n ALA 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1x52 n MET 53 N -2.02 -1.62 0.05 0.00 2.81 -0.04 -4.89 117.12 111.41 1x52 n MET 53 Ca 0.05 0.98 0.12 0.00 -1.81 0.00 0.00 57.70 57.04 1x52 n MET 53 Cb 0.41 -5.47 0.11 0.00 -0.71 0.00 0.00 33.22 27.56 1x52 n MET 53 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x52 n ALA 54 N -0.46 3.08 -2.04 3.04 0.00 -0.87 -4.87 120.51 118.38 1x52 n ALA 54 Ca -0.20 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 1x52 n ALA 54 Cb 0.63 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1x52 n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x52 s ILE 55 N -3.19 3.50 -0.07 0.00 1.01 -1.25 -0.26 121.20 120.94 1x52 s ILE 55 Ca 0.05 0.48 -0.26 0.00 0.00 0.00 0.00 60.65 60.92 1x52 s ILE 55 Cb 0.14 -3.76 -0.24 0.00 0.01 0.00 0.00 42.46 38.61 1x52 s ILE 55 CO 0.75 -0.54 1.01 -0.78 0.00 0.00 0.00 174.94 175.38 1x52 h ASP 56 N 13.06 0.14 -3.58 3.58 3.58 -1.46 -3.36 116.42 128.40 1x52 h ASP 56 Ca -0.31 -0.78 -0.22 0.00 0.42 0.00 0.00 57.03 56.13 1x52 h ASP 56 Cb 1.16 -0.04 -0.29 0.00 1.72 0.00 0.00 39.33 41.87 1x52 h ASP 56 CO 1.07 0.91 -0.58 -0.89 -2.88 0.00 0.00 179.24 176.87 1x52 s THR 57 N -3.09 -0.03 -0.12 2.25 2.01 -1.22 -0.51 115.64 114.94 1x52 s THR 57 Ca -0.17 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 1x52 s THR 57 Cb 0.00 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 1x52 s THR 57 CO 0.72 0.04 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.41 1x52 s LEU 58 N 0.71 3.16 -0.15 4.42 2.96 -0.08 -0.37 118.68 129.32 1x52 s LEU 58 Ca -0.05 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1x52 s LEU 58 Cb -0.07 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1x52 s LEU 58 CO -0.03 0.25 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.30 1x52 s LEU 59 N -0.11 2.31 -0.01 -0.68 1.43 0.09 -0.40 118.68 121.30 1x52 s LEU 59 Ca 0.01 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1x52 s LEU 59 Cb -0.13 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1x52 s LEU 59 CO 0.03 0.07 -0.00 -0.51 0.23 0.00 0.00 176.35 176.17 1x52 s ILE 60 N 0.88 0.11 0.11 -0.59 2.07 -0.89 -0.92 121.20 121.98 1x52 s ILE 60 Ca -0.05 0.03 -0.31 0.00 -1.41 0.00 0.00 60.65 58.91 1x52 s ILE 60 Cb -0.15 -0.16 -0.10 0.00 0.13 0.00 0.00 42.46 42.18 1x52 s ILE 60 CO -0.02 0.08 1.74 -0.44 -1.91 0.00 0.00 174.94 174.39 1x52 s SER 61 N 0.50 6.50 0.46 4.50 0.01 0.10 -0.79 113.70 124.97 1x52 s SER 61 Ca -0.05 2.66 0.15 0.00 1.31 0.00 0.00 55.95 60.03 1x52 s SER 61 Cb -0.07 -2.57 1.12 0.00 0.21 0.00 0.00 66.02 64.71 1x52 s SER 61 CO -0.01 -0.95 2.02 -2.24 0.41 0.00 0.00 173.24 172.47 1x52 h ASP 62 N 8.23 0.25 -0.34 2.44 3.04 -1.25 -0.23 116.42 128.56 1x52 h ASP 62 Ca -0.44 0.00 0.10 0.00 -3.24 0.00 0.00 57.03 53.45 1x52 h ASP 62 Cb 1.21 -0.05 -0.01 0.00 -1.04 0.00 0.00 39.33 39.43 1x52 h ASP 62 CO 0.94 0.16 0.37 1.05 -2.04 0.00 0.00 179.24 179.72 1x52 h GLU 63 N 0.28 0.00 0.14 4.15 4.11 -1.91 0.33 114.58 121.68 1x52 h GLU 63 Ca 0.21 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.33 1x52 h GLU 63 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1x52 h GLU 63 CO -0.04 0.00 -1.61 -0.07 0.07 0.00 0.00 179.01 177.36 1x52 h LEU 64 N 0.00 0.45 -1.96 3.06 3.38 -1.40 -1.99 115.31 116.85 1x52 h LEU 64 Ca 0.16 -0.89 0.17 0.00 0.09 0.00 0.00 57.88 57.42 1x52 h LEU 64 Cb 0.90 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1x52 h LEU 64 CO -0.00 1.71 0.53 0.15 0.09 0.00 0.00 178.44 180.91 1x52 h PHE 65 N -0.14 0.00 -0.31 1.13 3.57 -0.85 -1.87 116.94 118.48 1x52 h PHE 65 Ca -0.34 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 60.92 1x52 h PHE 65 Cb 1.90 0.00 -0.27 0.00 2.79 0.00 0.00 35.95 40.37 1x52 h PHE 65 CO 0.11 0.00 -0.80 2.89 -2.23 0.00 0.00 178.31 178.28 1x52 n ARG 66 N -3.95 1.96 -1.65 1.11 1.85 -0.07 -4.72 116.66 111.19 1x52 n ARG 66 Ca 0.12 -3.37 -0.39 0.00 -1.00 0.00 0.00 57.85 53.20 1x52 n ARG 66 Cb 0.76 -1.53 0.04 0.00 -1.05 0.00 0.00 32.46 30.67 1x52 n ARG 66 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1x52 n HIS 67 N -0.61 1.35 0.23 2.89 -0.00 -0.70 -4.90 115.22 113.47 1x52 n HIS 67 Ca 0.22 0.47 0.10 0.00 0.46 0.00 0.00 57.72 58.97 1x52 n HIS 67 Cb 0.88 -2.23 0.54 0.00 -0.12 0.00 0.00 29.99 29.06 1x52 n HIS 67 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 1x52 h GLN 68 N 1.10 0.00 -5.49 1.57 -0.00 -1.92 -3.42 115.11 106.95 1x52 h GLN 68 Ca -0.48 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 57.56 1x52 h GLN 68 Cb 1.34 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 28.70 1x52 h GLN 68 CO 0.54 0.22 0.10 0.34 -0.00 0.00 0.00 178.83 180.04 1x52 s ASP 69 N -6.29 6.56 0.34 0.06 2.15 -1.26 -4.97 116.67 113.26 1x52 s ASP 69 Ca -0.01 0.68 0.04 0.00 0.43 0.00 0.00 52.55 53.69 1x52 s ASP 69 Cb 0.12 -2.32 0.68 0.00 -0.30 0.00 0.00 42.92 41.10 1x52 s ASP 69 CO 0.63 -0.33 1.95 0.58 -0.17 0.00 0.00 175.17 177.83 1x52 h VAL 70 N 5.36 1.04 0.52 1.11 2.07 -1.98 0.12 116.25 124.48 1x52 h VAL 70 Ca -0.28 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1x52 h VAL 70 Cb 1.13 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1x52 h VAL 70 CO 0.76 0.15 -0.25 0.00 0.02 0.00 0.00 177.57 178.25 1x52 h ALA 71 N 1.58 -0.69 0.11 1.67 0.00 -1.95 0.01 119.26 119.98 1x52 h ALA 71 Ca 0.33 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1x52 h ALA 71 Cb 0.23 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1x52 h ALA 71 CO -0.11 -0.79 -0.35 1.15 0.00 0.00 0.00 179.25 179.15 1x52 h THR 72 N -0.90 0.27 -0.21 0.00 2.02 -1.90 -2.00 112.91 110.19 1x52 h THR 72 Ca -0.07 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.15 1x52 h THR 72 Cb 0.61 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1x52 h THR 72 CO 0.12 0.00 -0.04 -0.09 0.37 0.00 0.00 175.52 175.88 1x52 h ARG 73 N -0.57 0.01 -0.88 6.66 2.43 -0.81 -2.24 114.38 118.97 1x52 h ARG 73 Ca 0.03 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 1x52 h ARG 73 Cb 0.61 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.07 1x52 h ARG 73 CO -0.21 0.01 0.50 0.77 -1.51 0.00 0.00 179.97 179.52 1x52 h SER 74 N 0.01 0.66 0.03 -3.80 0.02 -0.60 -0.21 113.55 109.67 1x52 h SER 74 Ca 0.10 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1x52 h SER 74 Cb 0.14 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1x52 h SER 74 CO -0.20 0.32 -0.12 0.03 -1.14 0.00 0.00 176.83 175.72 1x52 h ARG 75 N 0.75 -0.20 0.43 3.45 3.08 -0.76 0.10 114.38 121.23 1x52 h ARG 75 Ca 0.46 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.51 1x52 h ARG 75 Cb 0.57 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1x52 h ARG 75 CO -0.32 -0.13 -0.21 1.88 -1.07 0.00 0.00 179.97 180.12 1x52 h TYR 76 N -0.21 -0.54 -0.13 3.04 0.05 -1.06 -0.75 116.97 117.37 1x52 h TYR 76 Ca 0.03 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 1x52 h TYR 76 Cb 0.25 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 1x52 h TYR 76 CO -0.16 -0.31 -0.17 -0.39 -1.05 0.00 0.00 178.16 176.08 1x52 h VAL 77 N -0.62 1.19 0.79 -2.88 -1.51 -0.92 0.76 116.25 113.06 1x52 h VAL 77 Ca -0.06 -0.85 -0.04 0.00 -1.23 0.00 0.00 66.70 64.53 1x52 h VAL 77 Cb 0.47 1.28 0.01 0.00 -2.13 0.00 0.00 31.29 30.92 1x52 h VAL 77 CO 0.10 0.26 -0.38 0.03 -1.23 0.00 0.00 177.57 176.35 1x52 h ARG 78 N 0.19 -1.03 -0.87 5.19 2.47 -0.72 -1.97 114.38 117.65 1x52 h ARG 78 Ca 0.04 0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1x52 h ARG 78 Cb 0.42 0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 28.93 1x52 h ARG 78 CO 0.03 -0.67 0.50 1.25 0.56 0.00 0.00 179.97 181.63 1x52 h LEU 79 N -1.12 1.07 -0.58 3.04 5.85 -0.66 0.14 115.31 123.05 1x52 h LEU 79 Ca -0.11 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.62 1x52 h LEU 79 Cb 0.83 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 1x52 h LEU 79 CO 0.18 0.84 0.19 0.58 -0.34 0.00 0.00 178.44 179.89 1x52 h VAL 80 N 1.20 0.74 -0.19 1.05 2.07 -0.89 -1.33 116.25 118.91 1x52 h VAL 80 Ca 0.31 -0.12 -0.19 0.00 0.82 0.00 0.00 66.70 67.52 1x52 h VAL 80 Cb -0.01 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1x52 h VAL 80 CO -0.05 0.06 -0.63 -0.78 0.02 0.00 0.00 177.57 176.19 1x52 h ASP 81 N 0.35 0.77 -0.43 0.57 3.58 -0.34 -3.21 116.42 117.70 1x52 h ASP 81 Ca 0.29 -0.45 -0.11 0.00 0.42 0.00 0.00 57.03 57.19 1x52 h ASP 81 Cb 0.38 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1x52 h ASP 81 CO -0.32 1.21 -0.12 -1.28 -2.88 0.00 0.00 179.24 175.85 1x52 h SER 82 N 0.50 0.91 -0.99 2.28 0.87 -0.60 -2.81 113.55 113.71 1x52 h SER 82 Ca -0.01 -0.29 0.11 0.00 -1.23 0.00 0.00 61.79 60.36 1x52 h SER 82 Cb 1.22 -0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 62.86 1x52 h SER 82 CO 0.13 1.04 0.63 0.58 -0.53 0.00 0.00 176.83 178.67 1x52 h VAL 83 N 0.81 0.96 -0.53 2.23 2.07 -1.25 -1.63 116.25 118.92 1x52 h VAL 83 Ca 0.13 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1x52 h VAL 83 Cb 0.66 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1x52 h VAL 83 CO 0.05 0.18 -0.10 0.11 0.02 0.00 0.00 177.57 177.83 1x52 h LYS 84 N 1.01 0.98 0.00 1.57 1.57 -1.56 0.48 116.57 120.63 1x52 h LYS 84 Ca 0.47 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1x52 h LYS 84 Cb 0.42 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1x52 h LYS 84 CO -0.23 1.03 -0.20 0.93 -0.57 0.00 0.00 179.45 180.41 1x52 h GLU 85 N 0.88 0.00 -0.53 3.15 4.39 -1.33 -1.57 114.58 119.56 1x52 h GLU 85 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1x52 h GLU 85 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1x52 h GLU 85 CO 0.05 0.20 0.00 0.09 -1.16 0.00 0.00 179.01 178.18 1x52 n ASN 86 N -4.10 2.75 -2.10 1.42 3.02 -0.68 -4.94 115.26 110.63 1x52 n ASN 86 Ca -0.02 -2.16 -0.21 0.00 -0.03 0.00 0.00 54.58 52.16 1x52 n ASN 86 Cb 0.27 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 1x52 n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x52 n ALA 87 N 0.65 -0.51 -2.53 5.41 0.00 -0.59 -4.95 120.51 117.99 1x52 n ALA 87 Ca 0.15 0.23 -0.25 0.00 0.00 0.00 0.00 53.44 53.57 1x52 n ALA 87 Cb 0.50 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 17.79 1x52 n ALA 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x52 s GLY 88 N -2.32 1.40 0.30 0.00 0.00 0.09 -4.97 107.32 101.82 1x52 s GLY 88 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 43.93 1x52 s GLY 88 CO 0.00 -0.68 0.53 -1.59 0.00 0.00 0.00 173.10 171.36 1x52 s THR 89 N -2.45 5.09 0.10 0.90 2.01 0.33 -4.02 115.64 117.59 1x52 s THR 89 Ca 0.42 -0.25 0.10 0.00 0.31 0.00 0.00 61.69 62.27 1x52 s THR 89 Cb -0.10 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1x52 s THR 89 CO 0.39 -0.42 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.96 1x52 s VAL 90 N -2.17 2.06 -0.06 3.82 1.01 -1.26 -0.90 120.40 122.90 1x52 s VAL 90 Ca 0.41 -1.59 -0.03 0.00 0.00 0.00 0.00 61.98 60.78 1x52 s VAL 90 Cb -0.10 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.50 1x52 s VAL 90 CO 0.33 0.12 0.11 -0.13 0.00 0.00 0.00 175.10 175.53 1x52 s ARG 91 N -1.78 -0.01 -0.29 2.72 1.81 0.46 -4.86 118.95 117.00 1x52 s ARG 91 Ca 0.11 0.45 -0.03 0.00 -1.72 0.00 0.00 55.73 54.54 1x52 s ARG 91 Cb -0.10 -0.35 0.03 0.00 -0.45 0.00 0.00 34.95 34.08 1x52 s ARG 91 CO 0.04 -0.29 0.00 0.42 -0.68 0.00 0.00 175.30 174.79 1x52 s ILE 92 N 2.05 3.18 -0.18 1.52 -1.09 -1.26 -2.08 121.20 123.33 1x52 s ILE 92 Ca 0.02 -1.14 -0.20 0.00 -2.23 0.00 0.00 60.65 57.10 1x52 s ILE 92 Cb -0.12 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 1x52 s ILE 92 CO -0.04 0.01 0.58 -0.36 -1.23 0.00 0.00 174.94 173.90 1x52 s PHE 93 N 1.33 3.40 0.28 3.97 0.40 0.03 -4.87 117.98 122.51 1x52 s PHE 93 Ca -0.02 0.89 -0.29 0.00 -0.60 0.00 0.00 56.93 56.90 1x52 s PHE 93 Cb -0.18 -2.74 -0.10 0.00 0.51 0.00 0.00 43.02 40.52 1x52 s PHE 93 CO -0.01 -0.11 1.11 -1.12 0.70 0.00 0.00 175.22 175.79 1x52 s SER 94 N 1.12 7.25 0.00 1.36 0.01 -1.26 -0.69 113.70 121.48 1x52 s SER 94 Ca 0.27 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.82 1x52 s SER 94 Cb -0.16 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1x52 s SER 94 CO 0.10 -0.16 0.07 -0.24 0.41 0.00 0.00 173.24 173.42 1x52 n SER 95 N 1.20 0.00 -0.07 2.44 2.88 -1.26 -1.95 113.62 116.86 1x52 n SER 95 Ca -0.01 -0.14 0.01 0.00 -1.33 0.00 0.00 58.87 57.40 1x52 n SER 95 Cb 0.45 -0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.92 1x52 n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x52 n LEU 96 N -0.49 1.49 -4.47 2.46 -0.00 -1.26 -5.06 117.00 109.67 1x52 n LEU 96 Ca 0.00 -1.36 -0.33 0.00 -0.00 0.00 0.00 56.01 54.32 1x52 n LEU 96 Cb 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 43.42 43.28 1x52 n LEU 96 CO 0.00 0.36 -0.46 -2.28 -0.00 0.00 0.00 177.39 175.02 1x52 s HIS 97 N -0.44 2.70 0.54 1.47 2.46 -0.82 -5.01 115.29 116.19 1x52 s HIS 97 Ca 0.02 -0.19 0.24 0.00 0.47 0.00 0.00 55.06 55.60 1x52 s HIS 97 Cb 0.01 -1.64 1.43 0.00 -0.13 0.00 0.00 32.58 32.25 1x52 s HIS 97 CO 0.02 0.16 2.05 -0.24 -2.47 0.00 0.00 174.74 174.26 1x52 h VAL 98 N 4.41 0.72 0.00 0.89 3.04 -1.97 0.51 116.25 123.85 1x52 h VAL 98 Ca -0.45 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.20 1x52 h VAL 98 Cb 1.16 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1x52 h VAL 98 CO 0.50 0.00 -0.18 0.28 -1.01 0.00 0.00 177.57 177.17 1x52 h SER 99 N 0.00 0.00 -0.13 3.17 0.02 -1.95 0.18 113.55 114.84 1x52 h SER 99 Ca 0.16 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1x52 h SER 99 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1x52 h SER 99 CO -0.00 0.18 -0.13 1.23 -1.14 0.00 0.00 176.83 176.97 1x52 h GLY 100 N 0.75 0.35 2.00 -3.77 0.00 -1.12 -1.68 103.07 99.60 1x52 h GLY 100 Ca -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1x52 h GLY 100 CO 0.02 0.32 -0.02 0.83 0.00 0.00 0.00 176.54 177.69 1x52 h GLU 101 N -0.06 0.00 0.03 4.80 5.08 -1.16 -0.86 114.58 122.40 1x52 h GLU 101 Ca 0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 1x52 h GLU 101 Cb 0.65 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.92 1x52 h GLU 101 CO 0.03 0.02 -0.96 1.96 -1.00 0.00 0.00 179.01 179.07 1x52 h GLN 102 N 0.00 0.59 0.00 2.33 4.20 -0.61 -3.23 115.11 118.39 1x52 h GLN 102 Ca -0.00 -0.68 -0.02 0.00 0.06 0.00 0.00 58.65 58.01 1x52 h GLN 102 Cb 0.05 0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1x52 h GLN 102 CO 0.00 1.28 -0.08 1.25 -0.67 0.00 0.00 178.83 180.61 1x52 h LEU 103 N 0.20 0.00 -0.91 1.46 5.85 -0.30 -3.18 115.31 118.44 1x52 h LEU 103 Ca -0.13 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.73 1x52 h LEU 103 Cb 1.64 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.52 1x52 h LEU 103 CO 0.19 0.08 -0.41 -1.28 -0.34 0.00 0.00 178.44 176.68 1x52 h SER 104 N 0.00 -1.48 0.04 1.25 0.87 -1.22 0.76 113.55 113.78 1x52 h SER 104 Ca -0.00 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1x52 h SER 104 Cb 0.18 0.75 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1x52 h SER 104 CO 0.01 -0.29 0.00 0.00 -0.53 0.00 0.00 176.83 176.02 1x52 n GLN 105 N -5.44 0.04 -1.67 2.24 3.00 -1.20 -1.22 117.38 113.12 1x52 n GLN 105 Ca 0.08 0.24 -0.01 0.00 -0.01 0.00 0.00 57.00 57.30 1x52 n GLN 105 Cb 0.38 -1.50 0.07 0.00 0.00 0.00 0.00 30.24 29.19 1x52 n GLN 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1x52 n LEU 106 N -1.26 2.21 -0.26 1.08 4.77 0.09 -4.98 117.00 118.65 1x52 n LEU 106 Ca 0.01 -3.17 -0.03 0.00 -0.03 0.00 0.00 56.01 52.79 1x52 n LEU 106 Cb 0.02 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1x52 n LEU 106 CO 0.02 1.12 -0.03 0.35 -1.33 0.00 0.00 177.39 177.51 1x52 n THR 107 N -0.36 0.00 -1.28 -5.08 -2.24 -0.36 -2.74 114.28 102.22 1x52 n THR 107 Ca 0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.84 1x52 n THR 107 Cb 0.92 -0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 68.15 1x52 n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x52 n GLY 108 N -0.10 1.06 2.91 3.38 0.00 -0.20 -4.94 105.19 107.29 1x52 n GLY 108 Ca -0.03 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1x52 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x52 s VAL 109 N -2.18 -0.42 0.24 1.61 0.11 -1.11 -0.72 120.40 117.93 1x52 s VAL 109 Ca 0.00 0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.08 1x52 s VAL 109 Cb 0.00 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1x52 s VAL 109 CO 0.00 -0.03 0.32 0.00 -3.33 0.00 0.00 175.10 172.07 1x52 s ALA 110 N 2.41 0.50 -0.17 1.54 0.00 -0.09 -0.94 121.76 125.00 1x52 s ALA 110 Ca 0.05 -1.31 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 1x52 s ALA 110 Cb -0.14 1.22 0.07 0.00 0.00 0.00 0.00 23.12 24.28 1x52 s ALA 110 CO -0.11 -0.73 0.73 0.00 0.00 0.00 0.00 175.76 175.65 1x52 s ALA 111 N -3.98 -1.79 0.25 0.00 0.00 -0.11 -0.73 121.76 115.40 1x52 s ALA 111 Ca 0.31 1.71 -0.22 0.00 0.00 0.00 0.00 51.96 53.76 1x52 s ALA 111 Cb 0.03 -0.67 -0.09 0.00 0.00 0.00 0.00 23.12 22.39 1x52 s ALA 111 CO 0.12 -0.35 0.78 0.42 0.00 0.00 0.00 175.76 176.74 1x52 s ILE 112 N -0.35 4.46 0.05 0.00 1.01 0.50 -2.11 121.20 124.76 1x52 s ILE 112 Ca -0.05 1.45 0.06 0.00 0.00 0.00 0.00 60.65 62.11 1x52 s ILE 112 Cb -0.03 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1x52 s ILE 112 CO 0.04 0.20 -0.14 -0.76 0.00 0.00 0.00 174.94 174.29 1x52 s LEU 113 N -1.96 2.84 0.08 2.97 1.43 -0.40 -1.16 118.68 122.48 1x52 s LEU 113 Ca 0.45 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1x52 s LEU 113 Cb -0.17 -1.65 -0.12 0.00 0.03 0.00 0.00 46.19 44.27 1x52 s LEU 113 CO 0.22 0.24 1.35 0.03 0.23 0.00 0.00 176.35 178.42 1x52 h ARG 114 N 4.32 0.64 -5.36 1.70 3.08 -0.95 -3.46 114.38 114.36 1x52 h ARG 114 Ca -0.48 -0.40 -0.40 0.00 0.07 0.00 0.00 59.98 58.77 1x52 h ARG 114 Cb 1.16 0.05 -0.16 0.00 0.08 0.00 0.00 29.97 31.10 1x52 h ARG 114 CO 0.50 1.02 -0.74 -0.59 -1.07 0.00 0.00 179.97 179.09 1x52 s PHE 115 N -4.09 1.43 -0.42 3.04 -0.71 -1.26 -5.08 117.98 110.89 1x52 s PHE 115 Ca -0.12 -0.62 -0.28 0.00 -1.04 0.00 0.00 56.93 54.87 1x52 s PHE 115 Cb 0.08 -0.72 -0.01 0.00 -1.21 0.00 0.00 43.02 41.15 1x52 s PHE 115 CO 0.83 0.18 1.75 -1.25 -1.34 0.00 0.00 175.22 175.39 1x52 s PRO 116 N -3.20 3.18 0.32 1.99 0.04 -1.26 -4.65 135.00 131.42 1x52 s PRO 116 Ca 0.14 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 1x52 s PRO 116 Cb -0.02 -4.22 -0.12 0.00 0.04 0.00 0.00 34.50 30.18 1x52 s PRO 116 CO 0.03 -2.05 1.43 0.28 0.04 0.00 0.00 177.00 176.73 1x52 n VAL 117 N 7.30 1.61 -2.08 -0.36 0.31 -1.10 -4.86 118.33 119.14 1x52 n VAL 117 Ca 0.21 -0.40 -0.36 0.00 -0.01 0.00 0.00 64.34 63.78 1x52 n VAL 117 Cb 0.48 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 1x52 n VAL 117 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1x52 s PRO 118 N -1.39 2.66 0.08 5.55 0.04 -1.26 -4.17 135.00 136.51 1x52 s PRO 118 Ca 0.59 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1x52 s PRO 118 Cb -0.54 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.46 1x52 s PRO 118 CO 0.58 -2.83 0.00 -1.13 0.04 0.00 0.00 177.00 173.66 1x52 n SER 119 N 12.74 -0.73 0.00 6.66 3.41 -1.26 -5.16 113.62 129.28 1x52 n SER 119 Ca 0.24 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1x52 n SER 119 Cb 0.51 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 1x52 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x52 n GLY 120 N -1.35 2.84 3.91 5.00 0.00 -1.26 -5.15 105.19 109.17 1x52 n GLY 120 Ca 0.00 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 1x52 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x52 s PRO 121 N -2.10 2.63 -0.27 1.61 0.04 -1.26 -4.65 135.00 131.00 1x52 s PRO 121 Ca 0.00 0.08 -0.00 0.00 0.04 0.00 0.00 61.00 61.12 1x52 s PRO 121 Cb 0.00 -2.14 0.14 0.00 0.04 0.00 0.00 34.50 32.54 1x52 s PRO 121 CO 0.00 -1.02 0.35 -1.54 0.04 0.00 0.00 177.00 174.83 1x52 s SER 122 N -4.40 0.91 0.41 6.66 1.04 -1.26 -4.95 113.70 112.11 1x52 s SER 122 Ca 0.57 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.65 1x52 s SER 122 Cb -0.11 0.83 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 1x52 s SER 122 CO 0.47 -0.36 0.13 -0.44 0.98 0.00 0.00 173.24 174.03 1x52 s SER 123 N 2.46 2.77 0.00 7.02 0.01 -1.26 -5.02 113.70 119.68 1x52 s SER 123 Ca 0.10 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.69 1x52 s SER 123 Cb -0.14 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1x52 s SER 123 CO -0.27 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.07