#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk n VAL 5 N 0.00 1.01 -1.61 0.44 0.31 -1.26 -5.16 118.33 112.06 3abk n VAL 5 Ca 0.00 -2.70 -0.52 0.00 -0.01 0.00 0.00 64.34 61.11 3abk n VAL 5 Cb 0.00 1.09 -0.06 0.00 -0.91 0.00 0.00 33.84 33.96 3abk n VAL 5 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3abk n VAL 6 N -0.54 0.03 0.00 2.52 0.31 -1.26 -5.03 118.33 114.35 3abk n VAL 6 Ca 0.05 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3abk n VAL 6 Cb 0.82 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3abk n VAL 6 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3abk n LYS 7 N 2.84 1.29 -0.00 5.55 5.02 -1.26 -5.13 118.16 126.48 3abk n LYS 7 Ca 0.19 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.52 3abk n LYS 7 Cb 0.20 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.15 3abk n LYS 7 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3abk n SER 8 N 0.00 0.72 -0.85 4.39 7.64 -1.26 -4.40 113.62 119.87 3abk n SER 8 Ca 0.00 -0.63 0.08 0.00 1.01 0.00 0.00 58.87 59.33 3abk n SER 8 Cb 0.00 1.05 0.23 0.00 -1.01 0.00 0.00 64.21 64.49 3abk n SER 8 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3abk n GLU 9 N -1.29 2.96 0.01 1.43 0.00 -1.26 -4.61 120.64 117.89 3abk n GLU 9 Ca 0.01 -2.63 -0.22 0.00 0.00 0.00 0.00 57.16 54.32 3abk n GLU 9 Cb 0.15 -1.70 -0.14 0.00 0.00 0.00 0.00 31.44 29.76 3abk n GLU 9 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3abk h ASP 10 N 1.93 0.40 -0.29 -1.84 5.19 -1.93 -3.13 116.42 116.75 3abk h ASP 10 Ca 0.00 -0.87 0.08 0.00 -0.62 0.00 0.00 57.03 55.63 3abk h ASP 10 Cb 1.26 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3abk h ASP 10 CO 0.17 1.70 0.52 0.10 -3.12 0.00 0.00 179.24 178.61 3abk h TYR 11 N -0.19 0.00 -0.02 4.55 -0.00 -1.86 0.40 116.97 119.85 3abk h TYR 11 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.39 3abk h TYR 11 Cb 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.58 3abk h TYR 11 CO 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 178.16 178.20 3abk n ALA 12 N -2.10 2.69 -2.44 0.10 0.00 -1.18 -4.94 120.51 112.63 3abk n ALA 12 Ca 0.05 -0.47 -0.24 0.00 0.00 0.00 0.00 53.44 52.78 3abk n ALA 12 Cb 0.65 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 3abk n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3abk s LEU 13 N -2.11 2.45 0.54 0.00 1.43 0.13 -5.11 118.68 116.01 3abk s LEU 13 Ca 0.33 -0.88 -0.22 0.00 -1.03 0.00 0.00 54.13 52.34 3abk s LEU 13 Cb 0.20 -0.97 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 3abk s LEU 13 CO 0.38 0.02 1.38 -2.84 0.23 0.00 0.00 176.35 175.52 3abk s PRO 14 N -2.82 3.15 0.21 1.29 0.02 -1.26 -4.94 135.00 130.64 3abk s PRO 14 Ca 0.19 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3abk s PRO 14 Cb -0.06 -2.28 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 3abk s PRO 14 CO 0.08 -1.20 0.09 -1.54 -0.33 0.00 0.00 177.00 174.10 3abk s SER 15 N -0.89 0.73 0.16 2.53 1.04 -1.26 -4.87 113.70 111.14 3abk s SER 15 Ca 0.71 -1.33 -0.10 0.00 0.48 0.00 0.00 55.95 55.72 3abk s SER 15 Cb -0.41 0.24 -0.06 0.00 0.10 0.00 0.00 66.02 65.89 3abk s SER 15 CO 0.49 -0.74 0.48 -0.47 0.98 0.00 0.00 173.24 173.98 3abk s TYR 16 N -3.91 3.51 -0.03 5.02 5.04 -1.26 -4.02 117.35 121.69 3abk s TYR 16 Ca 0.34 0.84 -0.10 0.00 -2.44 0.00 0.00 57.07 55.71 3abk s TYR 16 Cb 0.07 -2.21 0.02 0.00 0.35 0.00 0.00 41.96 40.18 3abk s TYR 16 CO 0.10 0.40 0.22 0.14 -1.34 0.00 0.00 175.55 175.07 3abk s VAL 17 N -1.61 0.05 -0.31 3.14 -7.23 -1.26 -5.05 120.40 108.13 3abk s VAL 17 Ca 0.40 -0.39 -0.08 0.00 -1.81 0.00 0.00 61.98 60.11 3abk s VAL 17 Cb -0.13 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.37 3abk s VAL 17 CO 0.20 -0.21 0.11 -1.81 -0.31 0.00 0.00 175.10 173.08 3abk s ASP 18 N -0.85 5.30 -0.23 4.85 -0.00 -1.26 -4.71 116.67 119.77 3abk s ASP 18 Ca -0.09 -0.77 -0.08 0.00 -0.00 0.00 0.00 52.55 51.61 3abk s ASP 18 Cb -0.05 -1.92 0.10 0.00 -0.00 0.00 0.00 42.92 41.06 3abk s ASP 18 CO 0.02 -0.23 0.50 -0.13 -0.00 0.00 0.00 175.17 175.33 3abk s ARG 19 N 1.51 0.42 0.27 8.23 0.52 -1.26 -5.06 118.95 123.58 3abk s ARG 19 Ca 0.02 1.17 -0.06 0.00 -0.52 0.00 0.00 55.73 56.34 3abk s ARG 19 Cb -0.18 0.50 0.49 0.00 0.52 0.00 0.00 34.95 36.28 3abk s ARG 19 CO 0.04 -0.23 1.58 0.00 0.02 0.00 0.00 175.30 176.71 3abk h ARG 20 N 8.06 0.01 -0.13 3.54 3.08 -1.97 -0.54 114.38 126.42 3abk h ARG 20 Ca -0.17 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3abk h ARG 20 Cb 1.11 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3abk h ARG 20 CO 0.12 0.01 0.00 -0.40 -1.07 0.00 0.00 179.97 178.63 3abk n ASP 21 N -5.54 0.79 -3.05 7.04 5.75 -1.26 -3.86 116.55 116.42 3abk n ASP 21 Ca 0.16 -1.85 -0.18 0.00 -0.01 0.00 0.00 54.79 52.91 3abk n ASP 21 Cb 0.53 -0.08 -0.02 0.00 -1.03 0.00 0.00 41.12 40.52 3abk n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3abk n TYR 22 N -0.13 -1.13 -0.01 2.11 9.36 -0.21 -5.04 117.16 122.11 3abk n TYR 22 Ca 0.08 -3.09 0.01 0.00 3.32 0.00 0.00 57.90 58.22 3abk n TYR 22 Cb 0.15 0.24 0.32 0.00 -0.63 0.00 0.00 39.34 39.41 3abk n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3abk h PRO 23 N 3.68 0.55 -3.44 2.98 0.13 -1.66 -3.36 132.00 130.87 3abk h PRO 23 Ca 0.01 -0.09 -0.72 0.00 -0.87 0.00 0.00 66.00 64.33 3abk h PRO 23 Cb 0.95 -0.09 -0.34 0.00 0.13 0.00 0.00 31.00 31.65 3abk h PRO 23 CO 0.41 0.52 -0.09 -0.51 -0.23 0.00 0.00 178.00 178.10 3abk s LEU 24 N -9.19 5.66 0.88 1.56 1.43 -1.26 -4.96 118.68 112.80 3abk s LEU 24 Ca -0.08 -3.42 -0.11 0.00 -1.03 0.00 0.00 54.13 49.49 3abk s LEU 24 Cb 0.16 -1.95 0.12 0.00 0.03 0.00 0.00 46.19 44.55 3abk s LEU 24 CO 0.76 -0.27 1.10 -2.16 0.23 0.00 0.00 176.35 176.00 3abk s PRO 25 N -0.91 1.33 0.59 1.29 0.04 -1.26 -4.94 135.00 131.14 3abk s PRO 25 Ca 0.24 1.06 0.30 0.00 0.04 0.00 0.00 61.00 62.65 3abk s PRO 25 Cb -0.11 -1.80 1.84 0.00 0.04 0.00 0.00 34.50 34.47 3abk s PRO 25 CO -0.10 -2.26 2.26 -0.44 0.04 0.00 0.00 177.00 176.50 3abk h ASP 26 N -1.57 0.00 -4.37 6.66 3.32 -1.94 -3.43 116.42 115.08 3abk h ASP 26 Ca -0.48 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.30 3abk h ASP 26 Cb 1.27 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.66 3abk h ASP 26 CO 0.51 0.00 -0.71 0.68 -1.72 0.00 0.00 179.24 178.00 3abk s VAL 27 N -4.60 0.88 0.57 -1.35 -7.23 -1.26 -4.94 120.40 102.48 3abk s VAL 27 Ca -0.05 -1.90 -0.19 0.00 -1.81 0.00 0.00 61.98 58.04 3abk s VAL 27 Cb 0.15 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 3abk s VAL 27 CO 0.54 -0.76 1.15 0.00 -0.31 0.00 0.00 175.10 175.72 3abk s ALA 28 N -3.25 2.61 0.07 1.32 0.00 -1.26 -4.79 121.76 116.46 3abk s ALA 28 Ca 0.12 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 52.67 3abk s ALA 28 Cb 0.03 -3.39 -0.16 0.00 0.00 0.00 0.00 23.12 19.60 3abk s ALA 28 CO -0.02 -0.97 1.66 1.25 0.00 0.00 0.00 175.76 177.68 3abk h HIS 29 N 0.94 -0.21 -3.62 0.00 2.76 -0.27 -3.39 115.15 111.37 3abk h HIS 29 Ca -0.50 -0.00 -0.70 0.00 -2.20 0.00 0.00 60.37 56.97 3abk h HIS 29 Cb 1.27 0.07 -0.20 0.00 1.55 0.00 0.00 27.41 30.10 3abk h HIS 29 CO 0.50 -0.09 -0.45 0.08 -1.30 0.00 0.00 177.93 176.67 3abk s VAL 30 N -5.96 5.27 -0.01 5.26 1.01 0.97 -4.81 120.40 122.13 3abk s VAL 30 Ca -0.14 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 3abk s VAL 30 Cb 0.05 -3.81 -0.30 0.00 0.00 0.00 0.00 36.38 32.32 3abk s VAL 30 CO 0.65 -0.15 0.82 0.50 0.00 0.00 0.00 175.10 176.92 3abk h LYS 31 N 8.55 0.34 -4.62 2.72 1.63 -1.86 -3.44 116.57 119.89 3abk h LYS 31 Ca -0.29 -0.59 -0.69 0.00 -0.85 0.00 0.00 60.65 58.23 3abk h LYS 31 Cb 1.14 0.22 -0.32 0.00 -0.60 0.00 0.00 32.23 32.67 3abk h LYS 31 CO 0.68 1.24 -0.61 -0.80 -3.45 0.00 0.00 179.45 176.51 3abk s ASN 32 N -7.18 5.17 0.33 4.20 -0.87 -1.26 -5.09 114.94 110.24 3abk s ASN 32 Ca -0.11 -1.54 -0.23 0.00 -1.57 0.00 0.00 52.86 49.41 3abk s ASN 32 Cb 0.06 -1.81 -0.10 0.00 -0.02 0.00 0.00 41.25 39.38 3abk s ASN 32 CO 0.87 -0.40 0.88 -0.76 -2.57 0.00 0.00 177.10 175.12 3abk s LEU 33 N 1.26 4.22 0.89 0.60 1.43 -1.26 -5.05 118.68 120.76 3abk s LEU 33 Ca 0.01 1.67 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 3abk s LEU 33 Cb -0.21 -4.06 0.13 0.00 0.03 0.00 0.00 46.19 42.07 3abk s LEU 33 CO -0.01 -0.13 1.10 -0.94 0.23 0.00 0.00 176.35 176.60 3abk s SER 34 N -1.82 3.56 0.04 2.29 1.04 -1.26 -4.78 113.70 112.77 3abk s SER 34 Ca 0.52 1.36 -0.07 0.00 0.48 0.00 0.00 55.95 58.24 3abk s SER 34 Cb -0.15 -2.04 -0.02 0.00 0.10 0.00 0.00 66.02 63.91 3abk s SER 34 CO 0.20 -2.56 0.54 0.00 0.98 0.00 0.00 173.24 172.40 3abk n ALA 35 N -3.82 -0.14 0.12 5.32 0.00 -1.26 -0.96 120.51 119.77 3abk n ALA 35 Ca 0.07 0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.77 3abk n ALA 35 Cb 0.56 0.07 0.03 0.00 0.00 0.00 0.00 19.45 20.10 3abk n ALA 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3abk h SER 36 N 0.00 0.00 0.26 0.00 4.64 -1.98 -2.35 113.55 114.12 3abk h SER 36 Ca 0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3abk h SER 36 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3abk h SER 36 CO -0.21 0.25 -0.19 1.56 -0.87 0.00 0.00 176.83 177.37 3abk h GLN 37 N 0.00 -0.43 -0.69 4.77 4.20 -1.83 0.19 115.11 121.32 3abk h GLN 37 Ca -0.04 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.77 3abk h GLN 37 Cb 1.22 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 29.06 3abk h GLN 37 CO 0.03 -0.29 0.45 0.87 -0.67 0.00 0.00 178.83 179.22 3abk h LYS 38 N -0.45 0.65 0.61 1.46 1.57 -1.04 -0.47 116.57 118.90 3abk h LYS 38 Ca -0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3abk h LYS 38 Cb 0.39 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3abk h LYS 38 CO 0.00 0.43 -0.50 0.00 -0.57 0.00 0.00 179.45 178.82 3abk h ALA 39 N 1.63 -1.17 -0.68 3.86 0.00 -1.07 -0.67 119.26 121.16 3abk h ALA 39 Ca 0.30 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3abk h ALA 39 Cb 0.31 0.68 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 3abk h ALA 39 CO -0.10 -1.19 -0.08 1.25 0.00 0.00 0.00 179.25 179.13 3abk h LEU 40 N -1.07 -0.46 -1.16 0.00 5.85 -0.06 0.68 115.31 119.09 3abk h LEU 40 Ca -0.08 0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.90 3abk h LEU 40 Cb 0.90 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 3abk h LEU 40 CO -0.00 -0.19 0.58 0.11 -0.34 0.00 0.00 178.44 178.60 3abk h LYS 41 N 0.05 0.97 -0.55 1.25 1.79 -0.93 0.71 116.57 119.87 3abk h LYS 41 Ca 0.35 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.69 3abk h LYS 41 Cb 0.57 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 3abk h LYS 41 CO -0.65 0.64 0.07 0.93 -1.08 0.00 0.00 179.45 179.37 3abk h GLU 42 N 1.00 0.93 -0.06 3.15 4.39 0.36 -2.67 114.58 121.68 3abk h GLU 42 Ca 0.39 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.85 3abk h GLU 42 Cb 0.22 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3abk h GLU 42 CO -0.15 0.90 0.05 -0.22 -1.16 0.00 0.00 179.01 178.44 3abk h LYS 43 N 0.82 0.00 0.00 2.33 3.64 0.74 -2.61 116.57 121.48 3abk h LYS 43 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3abk h LYS 43 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3abk h LYS 43 CO 0.01 0.00 0.00 1.49 -2.27 0.00 0.00 179.45 178.68 3abk h GLU 44 N 0.00 0.00 0.00 1.90 4.81 -0.57 -2.60 114.58 118.13 3abk h GLU 44 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3abk h GLU 44 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3abk h GLU 44 CO -0.00 0.00 -0.10 1.63 -0.73 0.00 0.00 179.01 179.81 3abk n LYS 45 N -2.32 0.10 -2.61 1.92 5.02 -0.98 -4.77 118.16 114.50 3abk n LYS 45 Ca 0.03 0.07 -0.22 0.00 -2.02 0.00 0.00 58.31 56.16 3abk n LYS 45 Cb 0.29 -1.60 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 3abk n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3abk s ALA 46 N -3.04 3.81 0.22 7.82 0.00 -0.98 -5.02 121.76 124.57 3abk s ALA 46 Ca 0.12 -1.52 -0.32 0.00 0.00 0.00 0.00 51.96 50.25 3abk s ALA 46 Cb 0.17 -2.04 -0.13 0.00 0.00 0.00 0.00 23.12 21.11 3abk s ALA 46 CO 0.58 -1.09 1.46 0.45 0.00 0.00 0.00 175.76 177.16 3abk n SER 47 N -2.58 2.87 0.25 0.00 2.88 -1.26 -4.86 113.62 110.92 3abk n SER 47 Ca 0.11 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.91 3abk n SER 47 Cb 0.60 -1.43 0.55 0.00 -0.75 0.00 0.00 64.21 63.18 3abk n SER 47 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3abk h TRP 48 N 4.68 0.00 -0.23 0.66 6.55 -1.90 -2.62 115.95 123.09 3abk h TRP 48 Ca -0.45 0.00 0.07 0.00 0.95 0.00 0.00 58.89 59.46 3abk h TRP 48 Cb 1.27 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.56 3abk h TRP 48 CO 0.58 0.12 0.29 0.77 -1.05 0.00 0.00 178.44 179.15 3abk h SER 49 N 0.00 0.00 -0.47 -3.49 0.02 -2.01 -2.23 113.55 105.37 3abk h SER 49 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3abk h SER 49 Cb 0.64 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3abk h SER 49 CO 0.02 0.00 0.02 -1.20 -1.14 0.00 0.00 176.83 174.52 3abk n SER 50 N -3.66 4.80 -4.61 3.07 7.64 -0.99 -4.91 113.62 114.97 3abk n SER 50 Ca 0.03 -2.77 -0.33 0.00 1.01 0.00 0.00 58.87 56.81 3abk n SER 50 Cb 0.42 -0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 3abk n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3abk s LEU 51 N -2.24 3.25 0.54 -3.43 1.02 -0.84 -5.06 118.68 111.91 3abk s LEU 51 Ca 0.44 -0.08 -0.17 0.00 0.02 0.00 0.00 54.13 54.34 3abk s LEU 51 Cb 0.34 -1.82 -0.06 0.00 0.02 0.00 0.00 46.19 44.66 3abk s LEU 51 CO 0.13 0.31 1.02 -0.94 0.02 0.00 0.00 176.35 176.89 3abk s SER 52 N -1.27 6.24 0.24 2.29 1.04 -1.26 -4.89 113.70 116.09 3abk s SER 52 Ca 0.16 1.74 -0.02 0.00 0.48 0.00 0.00 55.95 58.32 3abk s SER 52 Cb -0.11 -2.53 0.52 0.00 0.10 0.00 0.00 66.02 63.99 3abk s SER 52 CO 0.06 -0.85 1.26 -0.38 0.98 0.00 0.00 173.24 174.32 3abk n ILE 53 N -1.60 -0.34 0.08 -1.02 2.08 -1.26 -0.87 119.36 116.44 3abk n ILE 53 Ca 0.08 1.81 -0.05 0.00 0.56 0.00 0.00 62.75 65.15 3abk n ILE 53 Cb 0.53 -2.58 0.12 0.00 -0.75 0.00 0.00 39.64 36.97 3abk n ILE 53 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3abk h ASP 54 N 0.00 0.27 -0.31 4.38 3.32 -1.99 0.15 116.42 122.25 3abk h ASP 54 Ca 0.45 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 3abk h ASP 54 Cb 0.84 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 3abk h ASP 54 CO -0.79 0.80 -0.30 -0.33 -1.72 0.00 0.00 179.24 176.90 3abk h GLU 55 N 0.18 0.74 0.07 3.56 5.08 -1.70 -1.40 114.58 121.11 3abk h GLU 55 Ca -0.00 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3abk h GLU 55 Cb 1.10 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3abk h GLU 55 CO 0.09 1.01 -0.03 0.87 -1.00 0.00 0.00 179.01 179.95 3abk h LYS 56 N 0.50 -0.09 -0.42 2.33 1.57 -0.68 0.17 116.57 119.96 3abk h LYS 56 Ca 0.05 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3abk h LYS 56 Cb 0.87 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 3abk h LYS 56 CO 0.07 0.03 0.12 0.28 -0.57 0.00 0.00 179.45 179.38 3abk h VAL 57 N -0.19 0.83 -0.53 0.50 2.07 -0.75 0.13 116.25 118.31 3abk h VAL 57 Ca -0.01 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3abk h VAL 57 Cb 0.16 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3abk h VAL 57 CO 0.02 0.05 0.23 -0.08 0.02 0.00 0.00 177.57 177.80 3abk h GLU 58 N 0.26 0.75 -0.37 1.57 4.81 -0.83 0.18 114.58 120.95 3abk h GLU 58 Ca 0.20 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 3abk h GLU 58 Cb 0.22 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3abk h GLU 58 CO -0.23 0.60 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.39 3abk h LEU 59 N 0.75 0.70 -0.18 1.64 3.38 0.18 -1.16 115.31 120.62 3abk h LEU 59 Ca 0.18 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3abk h LEU 59 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3abk h LEU 59 CO -0.02 0.89 0.08 0.22 0.09 0.00 0.00 178.44 179.71 3abk h TYR 60 N 0.62 0.15 0.00 1.13 3.20 -0.18 -2.80 116.97 119.10 3abk h TYR 60 Ca 0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3abk h TYR 60 Cb 0.67 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3abk h TYR 60 CO 0.03 0.09 0.00 0.54 -1.64 0.00 0.00 178.16 177.18 3abk n ARG 61 N -5.02 0.23 -0.07 1.82 5.12 -0.03 -0.77 116.66 117.94 3abk n ARG 61 Ca -0.03 0.23 -0.13 0.00 -1.93 0.00 0.00 57.85 55.98 3abk n ARG 61 Cb 0.06 -1.78 -0.01 0.00 -1.16 0.00 0.00 32.46 29.56 3abk n ARG 61 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3abk h LEU 62 N 0.00 0.92 0.00 0.55 3.38 -1.17 -3.36 115.31 115.63 3abk h LEU 62 Ca 0.00 -0.47 -0.14 0.00 0.09 0.00 0.00 57.88 57.36 3abk h LEU 62 Cb 0.66 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3abk h LEU 62 CO 0.00 1.25 -0.54 0.50 0.09 0.00 0.00 178.44 179.75 3abk h LYS 63 N 0.65 0.36 -5.59 1.13 1.63 -1.18 0.28 116.57 113.85 3abk h LYS 63 Ca 0.03 -0.39 -0.48 0.00 -0.85 0.00 0.00 60.65 58.96 3abk h LYS 63 Cb 1.10 0.11 -0.23 0.00 -0.60 0.00 0.00 32.23 32.60 3abk h LYS 63 CO 0.11 1.07 -0.80 -0.06 -3.45 0.00 0.00 179.45 176.32 3abk s PHE 64 N -3.17 1.41 0.00 1.91 0.40 0.05 0.06 117.98 118.65 3abk s PHE 64 Ca -0.14 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 3abk s PHE 64 Cb 0.03 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.74 3abk s PHE 64 CO 0.81 0.08 0.00 1.17 0.70 0.00 0.00 175.22 177.98 3abk n LYS 65 N 1.58 0.00 -3.81 0.44 4.81 -1.26 -4.24 118.16 115.68 3abk n LYS 65 Ca -0.19 0.44 -0.35 0.00 -0.87 0.00 0.00 58.31 57.34 3abk n LYS 65 Cb 0.54 -0.94 -0.05 0.00 0.02 0.00 0.00 35.03 34.59 3abk n LYS 65 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3abk s GLU 66 N -1.00 3.53 1.02 1.64 2.02 -1.26 -5.00 118.70 119.65 3abk s GLU 66 Ca 0.00 -0.12 -0.15 0.00 0.02 0.00 0.00 54.97 54.72 3abk s GLU 66 Cb 0.00 -3.12 0.20 0.00 0.10 0.00 0.00 34.13 31.31 3abk s GLU 66 CO 0.00 0.69 1.16 -1.54 0.02 0.00 0.00 175.26 175.59 3abk s SER 67 N -1.56 2.54 0.09 -0.19 1.04 -1.26 -4.77 113.70 109.59 3abk s SER 67 Ca 0.24 0.74 -0.29 0.00 0.48 0.00 0.00 55.95 57.13 3abk s SER 67 Cb -0.13 -1.12 -0.14 0.00 0.10 0.00 0.00 66.02 64.73 3abk s SER 67 CO 0.14 -3.13 1.65 -0.26 0.98 0.00 0.00 173.24 172.61 3abk h PHE 68 N -1.90 -0.63 -0.83 5.02 -1.00 -1.99 0.20 116.94 115.80 3abk h PHE 68 Ca -0.48 -0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.41 3abk h PHE 68 Cb 1.30 0.24 -0.06 0.00 3.61 0.00 0.00 35.95 41.04 3abk h PHE 68 CO -0.73 -0.36 0.54 0.00 -1.61 0.00 0.00 178.31 176.15 3abk h ALA 69 N 0.07 1.78 -0.11 2.45 0.00 -1.97 -1.29 119.26 120.20 3abk h ALA 69 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3abk h ALA 69 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3abk h ALA 69 CO -0.01 0.03 -0.32 0.93 0.00 0.00 0.00 179.25 179.88 3abk h GLU 70 N 0.72 0.41 0.00 0.00 5.08 -1.77 -3.25 114.58 115.78 3abk h GLU 70 Ca 0.40 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3abk h GLU 70 Cb 0.54 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3abk h GLU 70 CO -0.16 0.91 0.00 0.00 -1.00 0.00 0.00 179.01 178.76 3abk h MET 71 N -0.01 0.00 -0.43 2.33 -0.00 0.50 -2.51 114.93 114.80 3abk h MET 71 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3abk h MET 71 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.53 3abk h MET 71 CO 0.07 0.00 0.00 0.09 -0.00 0.00 0.00 176.91 177.07 3abk n ASN 72 N -2.95 3.51 -4.79 -0.10 3.02 -0.76 -4.99 115.26 108.20 3abk n ASN 72 Ca -0.01 -1.99 -0.36 0.00 -0.03 0.00 0.00 54.58 52.20 3abk n ASN 72 Cb 0.20 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 39.05 3abk n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3abk s ARG 73 N -1.40 4.25 0.06 3.52 1.70 -0.95 -5.05 118.95 121.08 3abk s ARG 73 Ca 0.39 1.43 -0.01 0.00 -0.47 0.00 0.00 55.73 57.07 3abk s ARG 73 Cb 0.23 -2.54 0.01 0.00 -0.57 0.00 0.00 34.95 32.08 3abk s ARG 73 CO 0.31 -0.05 0.08 -1.13 -1.08 0.00 0.00 175.30 173.43 3abk n SER 74 N -0.03 0.04 -3.92 -2.89 3.41 -1.26 -5.10 113.62 103.86 3abk n SER 74 Ca 0.05 -1.05 -0.09 0.00 -0.26 0.00 0.00 58.87 57.51 3abk n SER 74 Cb 0.50 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 3abk n SER 74 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3abk s THR 75 N -0.75 0.03 -1.54 6.66 -4.23 -1.26 -5.06 115.64 109.48 3abk s THR 75 Ca 0.05 -1.25 0.12 0.00 -1.18 0.00 0.00 61.69 59.42 3abk s THR 75 Cb -0.00 -1.95 0.41 0.00 1.34 0.00 0.00 72.50 72.31 3abk s THR 75 CO 0.03 -0.12 1.29 0.59 -0.54 0.00 0.00 174.62 175.88 3abk n ASN 76 N -0.32 2.78 -0.34 3.99 3.02 -1.26 -4.54 115.26 118.59 3abk n ASN 76 Ca -0.05 -2.17 0.15 0.00 -0.03 0.00 0.00 54.58 52.47 3abk n ASN 76 Cb 0.62 -0.39 0.34 0.00 -0.61 0.00 0.00 39.78 39.74 3abk n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3abk h GLU 77 N 2.47 0.61 -0.96 3.52 4.81 -2.01 -2.35 114.58 120.66 3abk h GLU 77 Ca 0.00 -0.04 0.21 0.00 -0.13 0.00 0.00 59.36 59.41 3abk h GLU 77 Cb 0.83 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.99 3abk h GLU 77 CO 0.09 0.40 0.62 0.11 -0.73 0.00 0.00 179.01 179.50 3abk h TRP 78 N 0.63 0.72 0.06 0.92 5.08 -1.99 0.66 115.95 122.02 3abk h TRP 78 Ca 0.60 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.59 3abk h TRP 78 Cb 1.04 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 26.99 3abk h TRP 78 CO -0.03 0.16 -0.03 0.87 -1.28 0.00 0.00 178.44 178.13 3abk h LYS 79 N 0.52 -0.07 -0.06 0.12 1.57 -1.79 0.19 116.57 117.05 3abk h LYS 79 Ca 0.53 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.34 3abk h LYS 79 Cb 1.16 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 3abk h LYS 79 CO -0.26 0.05 -0.09 1.15 -0.57 0.00 0.00 179.45 179.73 3abk h THR 80 N -0.18 0.75 0.72 -0.16 2.02 -1.01 0.15 112.91 115.21 3abk h THR 80 Ca -0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3abk h THR 80 Cb 0.16 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3abk h THR 80 CO 0.01 0.00 -0.35 0.58 0.37 0.00 0.00 175.52 176.14 3abk h VAL 81 N -0.13 0.26 -0.84 3.16 2.07 -0.87 0.50 116.25 120.39 3abk h VAL 81 Ca 0.06 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3abk h VAL 81 Cb 0.21 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3abk h VAL 81 CO -0.14 0.01 0.42 0.58 0.02 0.00 0.00 177.57 178.46 3abk h VAL 82 N -1.03 1.26 -0.14 2.57 2.07 -0.65 -0.85 116.25 119.48 3abk h VAL 82 Ca -0.10 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3abk h VAL 82 Cb 0.76 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3abk h VAL 82 CO 0.16 0.31 0.08 1.23 0.02 0.00 0.00 177.57 179.37 3abk h GLY 83 N 1.20 0.20 0.94 2.17 0.00 -0.59 -2.19 103.07 104.79 3abk h GLY 83 Ca 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3abk h GLY 83 CO -0.04 0.08 0.15 0.00 0.00 0.00 0.00 176.54 176.73 3abk h ALA 84 N 1.01 0.40 -0.62 3.60 0.00 -0.79 -0.25 119.26 122.61 3abk h ALA 84 Ca 0.05 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.98 3abk h ALA 84 Cb 0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.57 3abk h ALA 84 CO -0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 179.25 178.86 3abk h ALA 85 N 1.01 -0.01 -0.79 0.00 0.00 -1.15 0.63 119.26 118.96 3abk h ALA 85 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3abk h ALA 85 Cb 0.10 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3abk h ALA 85 CO -0.01 -0.66 0.50 0.52 0.00 0.00 0.00 179.25 179.59 3abk h MET 86 N -0.14 1.05 -0.10 0.00 2.07 -1.24 0.31 114.93 116.88 3abk h MET 86 Ca 0.24 -0.08 0.01 0.00 -2.07 0.00 0.00 59.70 57.81 3abk h MET 86 Cb 0.55 -0.23 -0.01 0.00 -1.87 0.00 0.00 31.60 30.04 3abk h MET 86 CO -0.70 0.71 0.03 0.35 1.07 0.00 0.00 176.91 178.37 3abk h PHE 87 N 1.08 0.06 -0.35 -0.22 3.57 -0.25 -0.18 116.94 120.65 3abk h PHE 87 Ca 0.29 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 3abk h PHE 87 Cb -0.09 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3abk h PHE 87 CO 0.00 0.03 0.03 0.74 -2.23 0.00 0.00 178.31 176.88 3abk h PHE 88 N 0.08 0.54 -0.10 0.41 -1.00 0.14 0.45 116.94 117.47 3abk h PHE 88 Ca 0.04 -0.05 -0.08 0.00 2.81 0.00 0.00 57.97 60.69 3abk h PHE 88 Cb 0.02 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.42 3abk h PHE 88 CO -0.10 0.52 -0.26 0.82 -1.61 0.00 0.00 178.31 177.68 3abk h ILE 89 N 0.51 1.40 -0.97 -0.55 2.04 -0.32 -1.52 117.51 118.11 3abk h ILE 89 Ca 0.11 -1.59 0.03 0.00 1.00 0.00 0.00 64.86 64.42 3abk h ILE 89 Cb 0.29 2.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 3abk h ILE 89 CO 0.01 0.46 0.64 1.23 0.00 0.00 0.00 178.15 180.48 3abk h GLY 90 N -0.10 1.40 1.01 5.37 0.00 -0.73 -1.36 103.07 108.66 3abk h GLY 90 Ca -0.01 -0.49 0.14 0.00 0.00 0.00 0.00 47.33 46.97 3abk h GLY 90 CO 0.06 0.43 0.37 -2.75 0.00 0.00 0.00 176.54 174.64 3abk h PHE 91 N 1.23 0.09 -0.55 5.60 3.57 0.38 -2.51 116.94 124.76 3abk h PHE 91 Ca 0.38 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.80 3abk h PHE 91 Cb -0.02 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3abk h PHE 91 CO -0.00 0.04 0.01 1.15 -2.23 0.00 0.00 178.31 177.28 3abk h THR 92 N 0.08 1.26 -0.13 4.41 2.02 -0.22 -2.27 112.91 118.08 3abk h THR 92 Ca 0.25 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 3abk h THR 92 Cb 0.87 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3abk h THR 92 CO -0.02 0.39 -0.08 0.00 0.37 0.00 0.00 175.52 176.18 3abk h ALA 93 N 0.96 1.64 -0.97 6.16 0.00 -1.36 0.11 119.26 125.80 3abk h ALA 93 Ca 0.16 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3abk h ALA 93 Cb 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3abk h ALA 93 CO 0.03 0.27 0.64 -0.07 0.00 0.00 0.00 179.25 180.11 3abk h LEU 94 N 0.18 1.08 -0.08 0.00 3.38 -1.32 0.59 115.31 119.14 3abk h LEU 94 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3abk h LEU 94 Cb 0.26 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3abk h LEU 94 CO 0.01 0.76 0.04 -0.07 0.09 0.00 0.00 178.44 179.27 3abk h LEU 95 N 1.26 0.10 -0.72 1.67 3.38 -0.59 0.85 115.31 121.26 3abk h LEU 95 Ca 0.38 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3abk h LEU 95 Cb -0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3abk h LEU 95 CO -0.11 0.18 0.45 -0.07 0.09 0.00 0.00 178.44 178.98 3abk h LEU 96 N 0.02 0.84 -0.54 1.67 3.38 -0.59 -1.34 115.31 118.76 3abk h LEU 96 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3abk h LEU 96 Cb 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3abk h LEU 96 CO -0.00 0.63 0.35 0.40 0.09 0.00 0.00 178.44 179.91 3abk h ILE 97 N 0.98 1.14 -0.59 1.22 2.04 0.51 -0.47 117.51 122.34 3abk h ILE 97 Ca 0.26 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3abk h ILE 97 Cb -0.07 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 3abk h ILE 97 CO -0.05 0.14 0.27 -0.25 0.00 0.00 0.00 178.15 178.25 3abk h TRP 98 N 0.73 0.48 -0.44 1.37 7.01 -0.49 -1.70 115.95 122.90 3abk h TRP 98 Ca 0.20 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3abk h TRP 98 Cb -0.08 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 3abk h TRP 98 CO -0.04 0.19 0.24 1.49 -2.79 0.00 0.00 178.44 177.53 3abk h GLU 99 N 0.49 0.62 -0.76 2.65 4.81 -0.69 -0.92 114.58 120.77 3abk h GLU 99 Ca 0.28 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3abk h GLU 99 Cb 0.26 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3abk h GLU 99 CO -0.23 0.49 0.45 -0.22 -0.73 0.00 0.00 179.01 178.77 3abk h LYS 100 N 0.58 1.03 0.21 1.92 1.63 -0.75 0.72 116.57 121.90 3abk h LYS 100 Ca 0.16 -0.09 -0.32 0.00 -0.85 0.00 0.00 60.65 59.54 3abk h LYS 100 Cb 0.05 -0.22 0.02 0.00 -0.60 0.00 0.00 32.23 31.49 3abk h LYS 100 CO -0.03 0.73 -1.45 1.25 -3.45 0.00 0.00 179.45 176.50 3abk h HIS 101 N 1.05 0.79 0.00 1.91 2.76 -1.22 -3.35 115.15 117.09 3abk h HIS 101 Ca 0.27 -0.58 -0.11 0.00 -2.20 0.00 0.00 60.37 57.76 3abk h HIS 101 Cb -0.04 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 3abk h HIS 101 CO 0.00 1.49 -1.69 0.66 -1.30 0.00 0.00 177.93 177.09 3abk n TYR 102 N -3.63 0.00 -0.12 5.26 4.01 -0.36 -4.81 117.16 117.51 3abk n TYR 102 Ca -0.15 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.34 3abk n TYR 102 Cb 1.08 -0.43 -0.08 0.00 -0.31 0.00 0.00 39.34 39.59 3abk n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3abk n VAL 103 N -2.19 1.26 -2.60 -0.72 0.31 0.18 -5.00 118.33 109.58 3abk n VAL 103 Ca -0.11 -0.32 -0.41 0.00 -0.01 0.00 0.00 64.34 63.48 3abk n VAL 103 Cb 0.61 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 3abk n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3abk s TYR 104 N -2.42 3.63 0.05 3.52 4.12 -0.81 -5.04 117.35 120.40 3abk s TYR 104 Ca -0.32 1.61 -0.01 0.00 0.02 0.00 0.00 57.07 58.37 3abk s TYR 104 Cb 0.12 -3.21 0.01 0.00 -1.52 0.00 0.00 41.96 37.37 3abk s TYR 104 CO 0.41 -0.38 0.07 0.41 0.02 0.00 0.00 175.55 176.07 3abk n GLY 105 N 2.58 -1.05 3.77 0.71 0.00 -1.26 -4.82 105.19 105.13 3abk n GLY 105 Ca 0.05 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 3abk n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3abk s PRO 106 N -3.13 3.18 0.78 1.61 0.04 -1.26 -5.03 135.00 131.19 3abk s PRO 106 Ca 0.04 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 3abk s PRO 106 Cb -0.00 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.62 3abk s PRO 106 CO 0.03 -1.00 1.16 0.96 0.04 0.00 0.00 177.00 178.19 3abk s ILE 107 N -1.80 2.41 0.91 0.56 -4.36 -1.26 -5.02 121.20 112.64 3abk s ILE 107 Ca 0.73 0.13 -0.11 0.00 -0.26 0.00 0.00 60.65 61.15 3abk s ILE 107 Cb -0.25 -3.13 0.14 0.00 1.25 0.00 0.00 42.46 40.47 3abk s ILE 107 CO 0.30 -0.17 1.10 -2.84 0.24 0.00 0.00 174.94 173.57 3abk s PRO 108 N -5.52 1.07 0.22 0.37 0.02 -1.26 -4.87 135.00 125.04 3abk s PRO 108 Ca 0.61 1.21 0.19 0.00 0.02 0.00 0.00 61.00 63.03 3abk s PRO 108 Cb -0.11 -1.76 0.89 0.00 0.02 0.00 0.00 34.50 33.54 3abk s PRO 108 CO 0.50 -2.48 1.59 -2.39 -0.33 0.00 0.00 177.00 173.89 3abk n HIS 109 N -4.10 0.60 0.79 6.54 1.44 -1.26 -2.15 115.22 117.08 3abk n HIS 109 Ca 0.09 0.26 0.10 0.00 -2.01 0.00 0.00 57.72 56.16 3abk n HIS 109 Cb 0.53 -0.93 0.46 0.00 0.12 0.00 0.00 29.99 30.18 3abk n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3abk n THR 110 N -2.07 0.52 1.18 0.61 -2.24 -1.26 -1.41 114.28 109.61 3abk n THR 110 Ca 0.01 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 3abk n THR 110 Cb 0.14 -0.78 0.36 0.00 -2.10 0.00 0.00 70.33 67.95 3abk n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3abk n PHE 111 N -1.44 0.00 -1.71 4.78 3.01 -0.91 -4.29 117.46 116.90 3abk n PHE 111 Ca 0.06 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.14 3abk n PHE 111 Cb 0.22 -0.17 0.04 0.00 -0.01 0.00 0.00 39.48 39.56 3abk n PHE 111 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3abk n GLU 112 N -0.93 1.58 -0.29 -1.08 1.02 -0.50 -4.74 120.64 115.69 3abk n GLU 112 Ca 0.10 0.58 0.03 0.00 -0.02 0.00 0.00 57.16 57.85 3abk n GLU 112 Cb 0.34 -2.45 0.17 0.00 -0.02 0.00 0.00 31.44 29.47 3abk n GLU 112 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3abk h GLU 113 N 1.37 0.78 -0.20 3.49 4.81 -1.92 -0.39 114.58 122.53 3abk h GLU 113 Ca -0.50 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.61 3abk h GLU 113 Cb 1.31 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 3abk h GLU 113 CO 0.56 0.52 -0.18 1.49 -0.73 0.00 0.00 179.01 180.67 3abk h GLU 114 N 0.80 0.47 -0.75 1.92 4.81 -1.95 -2.31 114.58 117.57 3abk h GLU 114 Ca 0.40 -0.24 0.09 0.00 -0.13 0.00 0.00 59.36 59.47 3abk h GLU 114 Cb 0.35 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 3abk h GLU 114 CO -0.24 0.81 0.39 2.35 -0.73 0.00 0.00 179.01 181.60 3abk h TRP 115 N 0.14 0.71 -0.01 0.92 2.91 -1.77 -1.33 115.95 117.53 3abk h TRP 115 Ca 0.03 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.99 3abk h TRP 115 Cb 0.72 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 3abk h TRP 115 CO 0.08 0.27 -0.41 0.28 -1.03 0.00 0.00 178.44 177.63 3abk h VAL 116 N 0.67 1.30 -0.14 2.65 2.07 -0.88 0.20 116.25 122.11 3abk h VAL 116 Ca 0.36 -1.42 -0.13 0.00 0.82 0.00 0.00 66.70 66.33 3abk h VAL 116 Cb 0.36 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3abk h VAL 116 CO -0.26 0.41 -0.43 0.00 0.02 0.00 0.00 177.57 177.30 3abk h ALA 117 N 1.58 0.24 -0.41 1.67 0.00 -0.96 0.29 119.26 121.67 3abk h ALA 117 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3abk h ALA 117 Cb 0.73 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3abk h ALA 117 CO 0.05 0.37 0.09 0.87 0.00 0.00 0.00 179.25 180.64 3abk h LYS 118 N 0.17 0.65 -0.70 0.00 1.57 -0.98 -2.76 116.57 114.52 3abk h LYS 118 Ca -0.01 -0.16 0.11 0.00 -1.87 0.00 0.00 60.65 58.71 3abk h LYS 118 Cb 1.06 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.20 3abk h LYS 118 CO 0.09 0.68 0.30 0.37 -0.57 0.00 0.00 179.45 180.33 3abk h GLN 119 N 0.52 0.49 -0.49 3.15 4.15 -0.58 -0.55 115.11 121.80 3abk h GLN 119 Ca 0.13 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3abk h GLN 119 Cb 0.32 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3abk h GLN 119 CO 0.00 0.32 0.27 1.15 -1.93 0.00 0.00 178.83 178.65 3abk h THR 120 N 0.50 1.17 0.57 2.39 2.02 -0.92 -0.42 112.91 118.23 3abk h THR 120 Ca 0.36 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3abk h THR 120 Cb 0.45 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3abk h THR 120 CO -0.32 0.18 -0.37 0.50 0.37 0.00 0.00 175.52 175.88 3abk h LYS 121 N 0.66 -0.87 -0.68 6.66 3.64 -1.18 -0.14 116.57 124.67 3abk h LYS 121 Ca 0.17 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.75 3abk h LYS 121 Cb 0.05 0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 31.96 3abk h LYS 121 CO -0.03 -0.58 0.13 -0.09 -2.27 0.00 0.00 179.45 176.62 3abk h ARG 122 N -0.90 0.24 -0.70 1.90 2.43 -1.03 0.88 114.38 117.19 3abk h ARG 122 Ca -0.07 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3abk h ARG 122 Cb 0.74 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 3abk h ARG 122 CO 0.06 0.16 0.43 0.52 -1.51 0.00 0.00 179.97 179.62 3abk h MET 123 N 0.24 0.94 -0.01 0.20 2.86 -0.73 0.50 114.93 118.93 3abk h MET 123 Ca 0.37 -0.08 -0.19 0.00 -2.06 0.00 0.00 59.70 57.74 3abk h MET 123 Cb 0.60 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3abk h MET 123 CO -0.48 0.66 -0.85 -0.07 1.06 0.00 0.00 176.91 177.23 3abk h LEU 124 N 0.96 0.31 -0.61 1.22 3.38 0.10 0.23 115.31 120.90 3abk h LEU 124 Ca 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3abk h LEU 124 Cb -0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3abk h LEU 124 CO -0.05 1.02 0.40 0.44 0.09 0.00 0.00 178.44 180.34 3abk h ASP 125 N 0.14 0.71 -0.05 -0.43 3.45 0.20 -1.91 116.42 118.54 3abk h ASP 125 Ca -0.04 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.39 3abk h ASP 125 Cb 1.46 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 3abk h ASP 125 CO 0.13 0.52 0.00 1.15 -1.57 0.00 0.00 179.24 179.47 3abk n MET 126 N -4.65 1.46 -3.21 3.56 0.00 0.03 -4.96 117.12 109.35 3abk n MET 126 Ca 0.05 -0.67 -0.15 0.00 0.00 0.00 0.00 57.70 56.93 3abk n MET 126 Cb 0.02 -1.44 0.08 0.00 0.00 0.00 0.00 33.22 31.88 3abk n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3abk n LYS 127 N -0.16 -5.00 -1.68 3.17 4.76 -0.18 -4.92 118.16 114.15 3abk n LYS 127 Ca 0.19 0.75 -0.45 0.00 -2.87 0.00 0.00 58.31 55.93 3abk n LYS 127 Cb 0.26 -5.44 -0.03 0.00 -1.84 0.00 0.00 35.03 27.98 3abk n LYS 127 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3abk n VAL 128 N -3.60 0.31 -3.69 -0.18 0.31 -0.11 -3.38 118.33 108.00 3abk n VAL 128 Ca -0.21 -0.08 -0.29 0.00 -0.01 0.00 0.00 64.34 63.75 3abk n VAL 128 Cb 0.64 -1.63 0.03 0.00 -0.91 0.00 0.00 33.84 31.96 3abk n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3abk n ALA 129 N 3.04 -2.61 1.14 3.52 0.00 -1.26 -0.68 120.51 123.66 3abk n ALA 129 Ca 0.15 -0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.44 3abk n ALA 129 Cb 0.31 -2.90 0.37 0.00 0.00 0.00 0.00 19.45 17.24 3abk n ALA 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3abk n PRO 130 N -3.71 0.40 0.09 0.00 -0.04 -1.22 -0.22 135.00 130.30 3abk n PRO 130 Ca -0.13 -0.21 -0.23 0.00 -0.04 0.00 0.00 63.50 62.89 3abk n PRO 130 Cb 0.60 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.41 3abk n PRO 130 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3abk h ILE 131 N 0.51 1.04 0.00 0.52 5.03 -1.91 -3.27 117.51 119.42 3abk h ILE 131 Ca 0.00 -2.58 0.00 0.00 -0.12 0.00 0.00 64.86 62.16 3abk h ILE 131 Cb 0.48 2.84 0.00 0.00 -3.03 0.00 0.00 36.82 37.11 3abk h ILE 131 CO 0.00 0.85 0.00 0.00 -0.68 0.00 0.00 178.15 178.32 3abk n GLN 132 N -3.62 0.00 0.12 2.37 6.02 -1.25 -4.81 117.38 116.21 3abk n GLN 132 Ca -0.22 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.58 3abk n GLN 132 Cb 1.08 -0.33 -0.15 0.00 1.02 0.00 0.00 30.24 31.86 3abk n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3abk h GLY 133 N 0.00 0.41 0.00 1.08 0.00 -1.86 -3.43 103.07 99.27 3abk h GLY 133 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.29 3abk h GLY 133 CO 0.00 0.91 0.00 0.33 0.00 0.00 0.00 176.54 177.78 3abk n PHE 134 N -3.59 0.00 0.28 5.60 7.35 0.70 -4.85 117.46 122.95 3abk n PHE 134 Ca -0.11 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.70 3abk n PHE 134 Cb 1.05 0.03 0.79 0.00 0.35 0.00 0.00 39.48 41.70 3abk n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3abk h SER 135 N 0.00 0.00 -1.24 -2.13 0.02 -0.34 0.63 113.55 110.48 3abk h SER 135 Ca 0.00 0.00 0.36 0.00 -0.84 0.00 0.00 61.79 61.31 3abk h SER 135 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 3abk h SER 135 CO 0.00 0.01 0.94 0.00 -1.14 0.00 0.00 176.83 176.64 3abk h ALA 136 N 1.99 3.16 -0.27 3.77 0.00 -1.59 0.26 119.26 126.58 3abk h ALA 136 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3abk h ALA 136 Cb 0.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3abk h ALA 136 CO 0.00 -1.58 0.00 1.63 0.00 0.00 0.00 179.25 179.30 3abk n LYS 137 N -4.04 2.29 -4.43 0.00 5.02 0.22 -4.84 118.16 112.37 3abk n LYS 137 Ca 0.27 -1.93 -0.34 0.00 -2.02 0.00 0.00 58.31 54.29 3abk n LYS 137 Cb 1.34 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 34.76 3abk n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 3abk s TRP 138 N -1.67 3.04 -0.57 2.13 -0.11 0.92 -1.13 118.94 121.56 3abk s TRP 138 Ca 0.36 -0.10 -0.24 0.00 1.22 0.00 0.00 56.10 57.33 3abk s TRP 138 Cb 0.21 -1.87 0.04 0.00 -1.50 0.00 0.00 33.47 30.36 3abk s TRP 138 CO 0.30 0.17 0.95 0.34 -4.62 0.00 0.00 176.95 174.09 3abk s ASP 139 N -0.18 6.31 0.48 5.86 -1.08 1.00 -4.77 116.67 124.29 3abk s ASP 139 Ca 0.04 -0.43 0.29 0.00 -0.52 0.00 0.00 52.55 51.92 3abk s ASP 139 Cb -0.13 -2.44 0.92 0.00 -1.46 0.00 0.00 42.92 39.82 3abk s ASP 139 CO 0.02 -1.27 1.82 1.88 0.52 0.00 0.00 175.17 178.14 3abk h TYR 140 N 9.36 0.00 0.00 -5.34 0.05 -1.92 -1.68 116.97 117.44 3abk h TYR 140 Ca -0.26 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.39 3abk h TYR 140 Cb 1.07 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 3abk h TYR 140 CO 0.92 0.00 -0.78 -0.44 -1.05 0.00 0.00 178.16 176.82 3abk h ASP 141 N 0.00 0.00 0.00 3.88 3.45 -1.95 -3.38 116.42 118.42 3abk h ASP 141 Ca 0.00 -0.45 0.00 0.00 0.43 0.00 0.00 57.03 57.01 3abk h ASP 141 Cb 0.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 3abk h ASP 141 CO 0.00 1.17 0.00 0.29 -1.57 0.00 0.00 179.24 179.13 3abk n LYS 142 N -4.53 0.63 -4.08 3.56 5.02 -1.25 -4.89 118.16 112.62 3abk n LYS 142 Ca -0.20 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.69 3abk n LYS 142 Cb 0.51 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 3abk n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3abk n ASN 143 N -0.91 -2.81 -3.49 4.39 2.85 -0.69 -4.98 115.26 109.62 3abk n ASN 143 Ca 0.12 -1.24 -0.13 0.00 -0.11 0.00 0.00 54.58 53.22 3abk n ASN 143 Cb 0.06 -1.95 -0.04 0.00 1.24 0.00 0.00 39.78 39.09 3abk n ASN 143 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3abk s GLU 144 N -7.20 1.01 0.12 1.20 -1.05 -0.87 -5.01 118.70 106.89 3abk s GLU 144 Ca 0.34 -0.10 -0.35 0.00 -0.15 0.00 0.00 54.97 54.71 3abk s GLU 144 Cb -0.18 0.47 -0.16 0.00 -0.44 0.00 0.00 34.13 33.82 3abk s GLU 144 CO 0.96 -0.39 1.30 0.91 0.95 0.00 0.00 175.26 178.99 3abk n TRP 145 N 0.24 1.49 -1.87 4.83 7.02 -1.26 -0.00 117.44 127.89 3abk n TRP 145 Ca -0.15 0.63 -0.37 0.00 -1.02 0.00 0.00 57.50 56.59 3abk n TRP 145 Cb 0.61 -2.33 0.05 0.00 -2.42 0.00 0.00 31.31 27.22 3abk n TRP 145 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3abk s LYS 146 N 0.21 2.92 0.00 -0.99 1.02 -0.28 -4.69 119.74 117.93 3abk s LYS 146 Ca 0.80 2.03 0.30 0.00 0.02 0.00 0.00 55.97 59.12 3abk s LYS 146 Cb -0.90 -2.02 1.41 0.00 -0.52 0.00 0.00 37.83 35.79 3abk s LYS 146 CO 0.48 -1.30 1.95 1.63 -0.92 0.00 0.00 175.35 177.19