#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afk s GLU 2 N 0.00 4.28 0.77 1.64 2.12 -1.26 -5.01 118.70 121.23 1afk s GLU 2 Ca 0.00 2.07 -0.12 0.00 0.36 0.00 0.00 54.97 57.28 1afk s GLU 2 Cb 0.00 -3.47 0.05 0.00 0.26 0.00 0.00 34.13 30.97 1afk s GLU 2 CO 0.00 -0.56 1.10 0.95 -0.54 0.00 0.00 175.26 176.21 1afk s THR 3 N 2.03 3.15 0.32 -1.70 -4.23 -1.26 -4.87 115.64 109.08 1afk s THR 3 Ca 0.66 0.37 0.06 0.00 -1.18 0.00 0.00 61.69 61.60 1afk s THR 3 Cb -0.35 -3.23 0.09 0.00 1.34 0.00 0.00 72.50 70.36 1afk s THR 3 CO 0.29 -0.49 1.78 0.00 -0.54 0.00 0.00 174.62 175.66 1afk h ALA 4 N -0.93 1.23 -0.54 3.99 0.00 -1.95 -0.18 119.26 120.89 1afk h ALA 4 Ca -0.46 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.03 1afk h ALA 4 Cb 1.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1afk h ALA 4 CO 0.61 0.50 -0.06 0.00 0.00 0.00 0.00 179.25 180.30 1afk h ALA 5 N 1.44 0.73 -0.39 0.00 0.00 -1.90 -1.56 119.26 117.58 1afk h ALA 5 Ca 0.05 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1afk h ALA 5 Cb 0.61 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1afk h ALA 5 CO 0.04 0.61 -0.23 0.00 0.00 0.00 0.00 179.25 179.67 1afk h ALA 6 N 0.93 0.87 -0.69 0.00 0.00 -1.78 -2.59 119.26 116.00 1afk h ALA 6 Ca 0.14 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1afk h ALA 6 Cb 0.62 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1afk h ALA 6 CO 0.04 0.63 0.19 -0.22 0.00 0.00 0.00 179.25 179.90 1afk h LYS 7 N 0.68 1.08 -0.25 0.00 3.64 -0.89 -1.64 116.57 119.19 1afk h LYS 7 Ca 0.09 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1afk h LYS 7 Cb 0.74 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1afk h LYS 7 CO 0.06 0.95 0.15 0.35 -2.27 0.00 0.00 179.45 178.69 1afk h PHE 8 N 1.02 0.33 -0.73 1.91 3.57 -1.07 0.88 116.94 122.85 1afk h PHE 8 Ca 0.22 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 1afk h PHE 8 Cb 0.33 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1afk h PHE 8 CO 0.03 0.24 0.47 0.93 -2.23 0.00 0.00 178.31 177.74 1afk h GLU 9 N 0.32 0.90 -0.19 1.11 5.08 -1.29 0.20 114.58 120.71 1afk h GLU 9 Ca 0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1afk h GLU 9 Cb 0.01 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1afk h GLU 9 CO -0.02 0.59 0.02 -0.09 -1.00 0.00 0.00 179.01 178.51 1afk h ARG 10 N 0.92 0.32 0.00 2.33 2.43 -0.99 -1.90 114.38 117.49 1afk h ARG 10 Ca 0.29 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1afk h ARG 10 Cb -0.02 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1afk h ARG 10 CO -0.10 0.50 -0.44 1.96 -1.51 0.00 0.00 179.97 180.38 1afk h GLN 11 N 0.10 0.00 0.00 0.20 4.20 -0.64 -3.41 115.11 115.56 1afk h GLN 11 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1afk h GLN 11 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1afk h GLN 11 CO 0.01 0.44 0.00 0.72 -0.67 0.00 0.00 178.83 179.33 1afk n HIS 12 N -3.29 0.00 -3.79 2.96 8.25 0.68 -4.73 115.22 115.30 1afk n HIS 12 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 1afk n HIS 12 Cb 0.66 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.68 1afk n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1afk s MET 13 N -0.36 4.10 -0.44 -0.41 -1.94 -0.72 0.24 119.30 119.77 1afk s MET 13 Ca 0.00 -0.27 0.05 0.00 -1.71 0.00 0.00 55.69 53.77 1afk s MET 13 Cb 0.00 -3.39 0.19 0.00 2.01 0.00 0.00 34.83 33.64 1afk s MET 13 CO 0.00 0.24 0.48 -3.47 -0.01 0.00 0.00 175.02 172.26 1afk n ASP 14 N 3.69 -1.24 0.16 3.03 2.03 -0.33 -4.83 116.55 119.06 1afk n ASP 14 Ca -0.16 -2.57 0.13 0.00 0.52 0.00 0.00 54.79 52.71 1afk n ASP 14 Cb 0.52 0.09 0.39 0.00 -0.72 0.00 0.00 41.12 41.40 1afk n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1afk h SER 15 N 5.24 0.00 -0.73 1.67 0.02 -1.76 -3.31 113.55 114.67 1afk h SER 15 Ca 0.18 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1afk h SER 15 Cb 0.96 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 1afk h SER 15 CO 0.29 0.00 0.44 0.28 -1.14 0.00 0.00 176.83 176.70 1afk h SER 16 N 0.00 0.89 -3.80 3.07 0.02 -1.93 -3.42 113.55 108.37 1afk h SER 16 Ca 0.00 -0.05 -0.69 0.00 -0.84 0.00 0.00 61.79 60.21 1afk h SER 16 Cb 0.72 -0.23 -0.20 0.00 0.14 0.00 0.00 62.40 62.84 1afk h SER 16 CO 0.00 0.69 -0.73 0.42 -1.14 0.00 0.00 176.83 176.08 1afk s THR 17 N -5.74 3.43 -2.37 -2.27 -4.23 -1.25 -5.02 115.64 98.20 1afk s THR 17 Ca -0.11 -0.64 0.26 0.00 -1.18 0.00 0.00 61.69 60.02 1afk s THR 17 Cb 0.17 -2.40 0.57 0.00 1.34 0.00 0.00 72.50 72.18 1afk s THR 17 CO 0.79 0.55 1.75 -1.54 -0.54 0.00 0.00 174.62 175.64 1afk n SER 18 N 2.12 1.30 -3.48 3.99 3.41 -1.26 -4.62 113.62 115.08 1afk n SER 18 Ca -0.17 -1.49 -0.03 0.00 -0.26 0.00 0.00 58.87 56.92 1afk n SER 18 Cb 0.53 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1afk n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afk s ALA 19 N -1.95 -1.64 -0.45 7.33 0.00 -1.26 -4.85 121.76 118.94 1afk s ALA 19 Ca 0.37 -0.16 -0.28 0.00 0.00 0.00 0.00 51.96 51.89 1afk s ALA 19 Cb 0.20 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 24.01 1afk s ALA 19 CO 0.32 -1.06 1.80 0.00 0.00 0.00 0.00 175.76 176.82 1afk s ALA 20 N -2.48 2.59 0.33 0.00 0.00 -1.26 -4.86 121.76 116.08 1afk s ALA 20 Ca 0.19 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1afk s ALA 20 Cb -0.02 -4.13 0.73 0.00 0.00 0.00 0.00 23.12 19.70 1afk s ALA 20 CO 0.04 -3.13 1.87 0.66 0.00 0.00 0.00 175.76 175.20 1afk h SER 21 N 13.60 0.74 -5.01 0.00 4.64 -1.98 -3.46 113.55 122.08 1afk h SER 21 Ca -0.30 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.12 1afk h SER 21 Cb 1.16 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 1afk h SER 21 CO 1.11 0.40 0.22 -0.94 -0.87 0.00 0.00 176.83 176.74 1afk s SER 22 N -5.80 -0.26 0.64 4.97 1.04 -1.26 -5.00 113.70 108.02 1afk s SER 22 Ca -0.10 -0.62 0.38 0.00 0.48 0.00 0.00 55.95 56.08 1afk s SER 22 Cb 0.22 0.72 2.12 0.00 0.10 0.00 0.00 66.02 69.18 1afk s SER 22 CO 0.79 -1.34 2.28 0.77 0.98 0.00 0.00 173.24 176.72 1afk h SER 23 N 2.01 0.00 -0.63 7.02 4.64 -1.93 -1.06 113.55 123.60 1afk h SER 23 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1afk h SER 23 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1afk h SER 23 CO 0.23 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.99 1afk n ASN 24 N -3.38 4.07 0.19 4.97 2.85 -1.26 -4.41 115.26 118.29 1afk n ASN 24 Ca -0.02 -2.18 -0.15 0.00 -0.11 0.00 0.00 54.58 52.12 1afk n ASN 24 Cb 0.12 -0.48 -0.07 0.00 1.24 0.00 0.00 39.78 40.59 1afk n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1afk h TYR 25 N 3.80 -0.93 -0.69 1.20 3.20 -1.58 -2.30 116.97 119.67 1afk h TYR 25 Ca 0.00 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1afk h TYR 25 Cb 1.12 0.37 -0.04 0.00 1.54 0.00 0.00 36.73 39.72 1afk h TYR 25 CO 0.54 -0.47 0.44 0.00 -1.64 0.00 0.00 178.16 177.03 1afk h ASN 27 N 0.87 0.27 0.10 0.00 2.35 -1.77 -0.21 115.58 117.19 1afk h ASN 27 Ca 0.27 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1afk h ASN 27 Cb -0.01 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1afk h ASN 27 CO -0.10 0.18 -0.05 1.56 -1.65 0.00 0.00 177.43 177.37 1afk h GLN 28 N 0.43 -0.13 -0.39 0.81 4.20 -0.81 -3.26 115.11 115.95 1afk h GLN 28 Ca 0.26 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1afk h GLN 28 Cb 0.26 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1afk h GLN 28 CO -0.24 0.27 0.19 0.52 -0.67 0.00 0.00 178.83 178.90 1afk h MET 29 N -0.58 0.56 -0.69 1.46 2.86 -0.69 -1.11 114.93 116.75 1afk h MET 29 Ca -0.01 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1afk h MET 29 Cb 0.47 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1afk h MET 29 CO 0.02 0.49 0.45 0.52 1.06 0.00 0.00 176.91 179.46 1afk h MET 30 N 0.50 0.81 -0.00 1.72 2.86 -1.18 -1.56 114.93 118.08 1afk h MET 30 Ca 0.14 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1afk h MET 30 Cb 0.11 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1afk h MET 30 CO -0.02 0.54 -0.01 -0.22 1.06 0.00 0.00 176.91 178.26 1afk h LYS 31 N 0.83 0.01 0.00 1.72 3.64 -1.55 0.35 116.57 121.57 1afk h LYS 31 Ca 0.27 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1afk h LYS 31 Cb 0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1afk h LYS 31 CO -0.08 0.75 -0.09 0.66 -2.27 0.00 0.00 179.45 178.42 1afk h SER 32 N -0.73 0.00 -0.51 4.20 4.64 -1.01 -1.27 113.55 118.87 1afk h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1afk h SER 32 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1afk h SER 32 CO 0.00 0.09 0.00 0.54 -0.87 0.00 0.00 176.83 176.59 1afk n ARG 33 N -3.43 2.81 -3.03 4.77 5.12 -0.60 -4.93 116.66 117.37 1afk n ARG 33 Ca -0.01 -2.10 -0.21 0.00 -1.93 0.00 0.00 57.85 53.59 1afk n ARG 33 Cb 0.24 -1.64 0.04 0.00 -1.16 0.00 0.00 32.46 29.94 1afk n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1afk n ASN 34 N 0.90 -5.96 -0.62 0.55 3.02 -0.48 -4.81 115.26 107.87 1afk n ASN 34 Ca 0.19 -0.29 0.13 0.00 -0.03 0.00 0.00 54.58 54.58 1afk n ASN 34 Cb 0.63 -4.76 0.28 0.00 -0.61 0.00 0.00 39.78 35.32 1afk n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1afk n LEU 35 N -3.93 2.03 -0.21 3.41 4.77 0.11 -3.98 117.00 119.20 1afk n LEU 35 Ca -0.10 -0.68 0.06 0.00 -0.03 0.00 0.00 56.01 55.26 1afk n LEU 35 Cb 0.61 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.79 1afk n LEU 35 CO 0.46 0.35 0.57 0.35 -1.33 0.00 0.00 177.39 177.79 1afk n THR 36 N 0.44 1.57 0.21 -5.08 -2.24 -1.20 -2.82 114.28 105.16 1afk n THR 36 Ca 0.15 -1.68 -0.08 0.00 -2.27 0.00 0.00 64.05 60.17 1afk n THR 36 Cb 0.46 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1afk n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1afk h LYS 37 N 0.42 -0.51 0.00 -0.78 1.79 -1.90 -3.35 116.57 112.24 1afk h LYS 37 Ca 0.00 0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.35 1afk h LYS 37 Cb 0.87 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 1afk h LYS 37 CO 0.03 -0.34 -0.81 0.38 -1.08 0.00 0.00 179.45 177.63 1afk h ASP 38 N -0.57 0.00 -5.74 0.86 2.03 -1.88 -3.48 116.42 107.64 1afk h ASP 38 Ca -0.05 0.00 0.31 0.00 -0.73 0.00 0.00 57.03 56.56 1afk h ASP 38 Cb 0.41 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.81 1afk h ASP 38 CO 0.09 0.69 0.81 0.00 -1.03 0.00 0.00 179.24 179.80 1afk s ARG 39 N -2.86 0.51 -0.53 4.15 1.70 -1.26 -5.09 118.95 115.57 1afk s ARG 39 Ca 0.02 -0.30 -0.25 0.00 -0.47 0.00 0.00 55.73 54.73 1afk s ARG 39 Cb 0.08 0.16 0.03 0.00 -0.57 0.00 0.00 34.95 34.66 1afk s ARG 39 CO 0.78 -0.23 0.99 0.00 -1.08 0.00 0.00 175.30 175.76 1afk n LYS 41 N 7.59 2.81 -0.20 0.00 4.81 -1.13 -4.87 118.16 127.17 1afk n LYS 41 Ca 0.05 1.02 0.01 0.00 -0.87 0.00 0.00 58.31 58.51 1afk n LYS 41 Cb 0.48 -3.03 0.11 0.00 0.02 0.00 0.00 35.03 32.62 1afk n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1afk h PRO 42 N 10.94 0.33 -3.77 1.64 0.11 -1.93 -3.44 132.00 135.88 1afk h PRO 42 Ca -0.49 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1afk h PRO 42 Cb 1.24 -0.07 -0.21 0.00 0.11 0.00 0.00 31.00 32.06 1afk h PRO 42 CO 0.94 0.22 -0.61 0.08 -0.21 0.00 0.00 178.00 178.42 1afk s VAL 43 N -6.09 0.09 -0.16 3.15 1.01 -1.26 -0.52 120.40 116.62 1afk s VAL 43 Ca -0.13 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1afk s VAL 43 Cb 0.18 -0.32 0.09 0.00 0.00 0.00 0.00 36.38 36.33 1afk s VAL 43 CO 0.74 -0.43 0.83 0.21 0.00 0.00 0.00 175.10 176.46 1afk s ASN 44 N -1.36 -0.56 -0.05 3.32 2.47 -0.48 -4.99 114.94 113.29 1afk s ASN 44 Ca -0.15 0.79 0.07 0.00 0.42 0.00 0.00 52.86 53.99 1afk s ASN 44 Cb -0.09 0.70 -0.01 0.00 -1.45 0.00 0.00 41.25 40.40 1afk s ASN 44 CO 0.00 -0.40 -0.25 -0.89 -3.72 0.00 0.00 177.10 171.84 1afk s THR 45 N -0.66 2.02 -0.02 -5.21 2.01 -1.26 -0.24 115.64 112.28 1afk s THR 45 Ca -0.04 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 60.92 1afk s THR 45 Cb -0.02 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1afk s THR 45 CO 0.04 0.56 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.11 1afk s PHE 46 N -0.28 2.93 -0.16 4.92 0.08 0.07 -4.43 117.98 121.11 1afk s PHE 46 Ca 0.00 -0.00 -0.02 0.00 0.12 0.00 0.00 56.93 57.02 1afk s PHE 46 Cb -0.13 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 1afk s PHE 46 CO 0.02 0.38 -0.07 0.08 -0.10 0.00 0.00 175.22 175.53 1afk s VAL 47 N -0.96 3.45 -1.01 -0.44 1.01 0.14 -1.04 120.40 121.55 1afk s VAL 47 Ca 0.16 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1afk s VAL 47 Cb -0.11 -2.51 0.32 0.00 0.00 0.00 0.00 36.38 34.08 1afk s VAL 47 CO 0.06 0.48 1.66 1.41 0.00 0.00 0.00 175.10 178.72 1afk n HIS 48 N 3.88 2.70 -4.16 5.22 -0.00 0.12 -1.19 115.22 121.79 1afk n HIS 48 Ca -0.18 -2.67 -0.10 0.00 -0.00 0.00 0.00 57.72 54.77 1afk n HIS 48 Cb 0.52 -1.16 -0.10 0.00 -0.00 0.00 0.00 29.99 29.25 1afk n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1afk s GLU 49 N -3.82 0.92 0.68 -0.41 0.41 -1.26 -4.57 118.70 110.65 1afk s GLU 49 Ca 0.37 -1.43 -0.16 0.00 -0.41 0.00 0.00 54.97 53.34 1afk s GLU 49 Cb 0.15 0.12 0.01 0.00 -1.78 0.00 0.00 34.13 32.64 1afk s GLU 49 CO -0.06 -0.21 1.19 -1.54 -0.49 0.00 0.00 175.26 174.15 1afk s SER 50 N -3.06 4.62 0.27 -0.19 1.04 -1.26 -4.36 113.70 110.76 1afk s SER 50 Ca 0.22 2.31 -0.03 0.00 0.48 0.00 0.00 55.95 58.93 1afk s SER 50 Cb 0.07 -2.59 0.38 0.00 0.10 0.00 0.00 66.02 63.99 1afk s SER 50 CO 0.01 -1.98 1.92 0.25 0.98 0.00 0.00 173.24 174.42 1afk h LEU 51 N 0.09 1.05 -0.59 2.42 5.85 -1.99 -2.32 115.31 119.81 1afk h LEU 51 Ca -0.48 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.25 1afk h LEU 51 Cb 1.29 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1afk h LEU 51 CO 0.52 0.72 0.37 0.00 -0.34 0.00 0.00 178.44 179.71 1afk h ALA 52 N 1.44 0.77 -0.62 1.25 0.00 -1.99 0.40 119.26 120.50 1afk h ALA 52 Ca 0.38 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1afk h ALA 52 Cb 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1afk h ALA 52 CO -0.12 0.12 0.14 -0.44 0.00 0.00 0.00 179.25 178.95 1afk h ASP 53 N 0.74 0.93 -0.19 0.00 5.19 -1.79 -1.81 116.42 119.48 1afk h ASP 53 Ca 0.23 -0.19 -0.19 0.00 -0.62 0.00 0.00 57.03 56.26 1afk h ASP 53 Cb -0.01 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.26 1afk h ASP 53 CO -0.09 0.91 -0.62 0.58 -3.12 0.00 0.00 179.24 176.90 1afk h VAL 54 N 0.94 1.29 -0.32 -1.35 2.07 -1.02 -3.12 116.25 114.74 1afk h VAL 54 Ca 0.20 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.85 1afk h VAL 54 Cb 0.36 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1afk h VAL 54 CO 0.00 0.58 0.04 1.56 0.02 0.00 0.00 177.57 179.77 1afk h GLN 55 N 0.49 0.49 0.00 1.57 4.20 -0.78 -2.21 115.11 118.87 1afk h GLN 55 Ca -0.02 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1afk h GLN 55 Cb 1.25 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1afk h GLN 55 CO 0.13 0.49 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 1afk h ALA 56 N 1.57 1.00 0.00 3.87 0.00 -1.27 -1.88 119.26 122.55 1afk h ALA 56 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1afk h ALA 56 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1afk h ALA 56 CO 0.00 0.00 -0.09 0.28 0.00 0.00 0.00 179.25 179.44 1afk h VAL 57 N 0.00 0.59 0.00 0.00 2.07 -1.43 -2.03 116.25 115.44 1afk h VAL 57 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1afk h VAL 57 Cb 0.13 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1afk h VAL 57 CO 0.00 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1afk n SER 59 N -1.79 2.73 0.00 0.00 3.41 -0.76 -5.00 113.62 112.21 1afk n SER 59 Ca 0.01 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 55.78 1afk n SER 59 Cb 0.07 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1afk n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afk n GLN 60 N -0.93 2.62 -2.38 4.33 6.02 0.32 -4.99 117.38 122.38 1afk n GLN 60 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 1afk n GLN 60 Cb 0.63 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.87 1afk n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1afk s LYS 61 N 3.75 3.96 -0.09 -1.09 2.20 -0.89 -4.84 119.74 122.73 1afk s LYS 61 Ca 0.00 1.39 -0.30 0.00 -0.36 0.00 0.00 55.97 56.70 1afk s LYS 61 Cb 0.00 -3.88 -0.03 0.00 -1.51 0.00 0.00 37.83 32.41 1afk s LYS 61 CO 0.00 -1.07 1.24 1.21 -0.36 0.00 0.00 175.35 176.37 1afk s ASN 62 N 2.84 7.00 0.15 1.43 3.04 -1.26 -0.08 114.94 128.05 1afk s ASN 62 Ca 0.58 1.80 0.02 0.00 0.04 0.00 0.00 52.86 55.30 1afk s ASN 62 Cb -0.19 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 36.93 1afk s ASN 62 CO 0.22 -0.66 -0.04 0.68 -3.04 0.00 0.00 177.10 174.27 1afk s VAL 63 N 2.67 0.76 0.28 -5.21 -7.23 -0.20 -4.94 120.40 106.54 1afk s VAL 63 Ca 0.56 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.46 1afk s VAL 63 Cb -0.24 -1.94 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 1afk s VAL 63 CO 0.20 -0.64 1.11 0.00 -0.31 0.00 0.00 175.10 175.46 1afk s ALA 64 N -3.59 3.41 0.56 1.32 0.00 -1.26 -3.40 121.76 118.80 1afk s ALA 64 Ca 0.19 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 1afk s ALA 64 Cb 0.05 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 1afk s ALA 64 CO 0.01 -0.19 1.01 0.00 0.00 0.00 0.00 175.76 176.58 1afk h LYS 66 N 0.41 0.00 -0.01 0.00 1.57 -1.92 0.20 116.57 116.82 1afk h LYS 66 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1afk h LYS 66 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1afk h LYS 66 CO 0.61 0.00 -0.01 0.27 -0.57 0.00 0.00 179.45 179.76 1afk n ASN 67 N -4.27 0.74 0.00 0.86 6.94 -1.26 -4.91 115.26 113.36 1afk n ASN 67 Ca 0.02 -1.21 0.00 0.00 -0.02 0.00 0.00 54.58 53.37 1afk n ASN 67 Cb 0.30 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1afk n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1afk n GLY 68 N 1.10 2.22 3.73 4.83 0.00 0.06 -5.06 105.19 112.07 1afk n GLY 68 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1afk n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1afk s GLN 69 N -0.85 1.39 -0.12 1.61 -0.21 -1.26 -4.75 119.66 115.48 1afk s GLN 69 Ca 0.00 0.85 0.15 0.00 0.02 0.00 0.00 55.36 56.38 1afk s GLN 69 Cb 0.00 -1.82 0.36 0.00 1.00 0.00 0.00 33.01 32.55 1afk s GLN 69 CO 0.00 -2.16 1.26 0.25 -2.12 0.00 0.00 175.29 172.52 1afk n THR 70 N -3.83 1.82 -0.62 -0.19 -2.24 -1.26 -1.05 114.28 106.91 1afk n THR 70 Ca 0.07 -1.78 -0.18 0.00 -2.27 0.00 0.00 64.05 59.90 1afk n THR 70 Cb 0.55 -0.05 0.10 0.00 -2.10 0.00 0.00 70.33 68.83 1afk n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1afk n ASN 71 N -0.66 4.31 -4.75 3.42 6.94 -1.26 -4.72 115.26 118.54 1afk n ASN 71 Ca 0.16 -3.13 -0.31 0.00 -0.02 0.00 0.00 54.58 51.27 1afk n ASN 71 Cb 0.67 -0.80 -0.07 0.00 -2.36 0.00 0.00 39.78 37.22 1afk n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1afk s TYR 73 N -1.30 0.47 -0.13 0.00 1.51 0.13 -1.03 117.35 117.00 1afk s TYR 73 Ca 0.26 -0.13 -0.03 0.00 -1.01 0.00 0.00 57.07 56.16 1afk s TYR 73 Cb -0.12 -0.30 -0.03 0.00 -0.11 0.00 0.00 41.96 41.40 1afk s TYR 73 CO 0.18 -0.02 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.45 1afk s GLN 74 N -0.29 3.43 0.22 -0.62 0.74 0.89 -1.58 119.66 122.45 1afk s GLN 74 Ca 0.00 -0.48 -0.30 0.00 0.05 0.00 0.00 55.36 54.64 1afk s GLN 74 Cb -0.03 -2.88 -0.09 0.00 1.10 0.00 0.00 33.01 31.11 1afk s GLN 74 CO -0.00 0.41 1.38 -1.54 -0.55 0.00 0.00 175.29 174.98 1afk s SER 75 N -0.08 6.77 0.25 6.67 1.04 -0.08 -2.10 113.70 126.18 1afk s SER 75 Ca 0.03 2.53 -0.03 0.00 0.48 0.00 0.00 55.95 58.96 1afk s SER 75 Cb -0.13 -2.62 0.31 0.00 0.10 0.00 0.00 66.02 63.68 1afk s SER 75 CO 0.02 -0.62 1.74 1.88 0.98 0.00 0.00 173.24 177.25 1afk h TYR 76 N 5.24 0.87 -2.17 5.02 0.05 -1.96 -3.43 116.97 120.59 1afk h TYR 76 Ca -0.45 -0.13 -0.46 0.00 0.05 0.00 0.00 58.73 57.74 1afk h TYR 76 Cb 1.22 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 1afk h TYR 76 CO 0.61 0.81 -0.39 -1.12 -1.05 0.00 0.00 178.16 177.01 1afk s SER 77 N -6.64 6.25 0.56 3.88 0.01 -1.26 -5.07 113.70 111.43 1afk s SER 77 Ca -0.10 0.06 -0.15 0.00 1.31 0.00 0.00 55.95 57.07 1afk s SER 77 Cb 0.14 -1.76 -0.06 0.00 0.21 0.00 0.00 66.02 64.56 1afk s SER 77 CO 0.82 -0.16 1.01 0.42 0.41 0.00 0.00 173.24 175.73 1afk s THR 78 N -2.05 4.46 0.06 1.44 -4.23 -1.26 -4.55 115.64 109.52 1afk s THR 78 Ca 0.37 1.06 0.02 0.00 -1.18 0.00 0.00 61.69 61.95 1afk s THR 78 Cb -0.09 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 1afk s THR 78 CO 0.30 -0.79 -0.06 -0.04 -0.54 0.00 0.00 174.62 173.49 1afk s MET 79 N -4.40 0.65 -0.15 3.99 -1.94 0.57 -4.88 119.30 113.14 1afk s MET 79 Ca 0.58 -1.03 -0.29 0.00 -1.71 0.00 0.00 55.69 53.24 1afk s MET 79 Cb -0.11 -0.18 -0.00 0.00 2.01 0.00 0.00 34.83 36.55 1afk s MET 79 CO 0.39 -0.00 1.02 0.45 -0.01 0.00 0.00 175.02 176.87 1afk s SER 80 N -2.32 7.19 0.15 3.03 0.15 -1.26 -1.93 113.70 118.71 1afk s SER 80 Ca 0.00 1.48 0.02 0.00 0.70 0.00 0.00 55.95 58.15 1afk s SER 80 Cb -0.02 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1afk s SER 80 CO -0.03 -0.53 -0.03 0.27 1.20 0.00 0.00 173.24 174.12 1afk s ILE 81 N 2.46 0.71 -0.09 6.45 -4.36 -0.16 -0.70 121.20 125.51 1afk s ILE 81 Ca 0.47 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.88 1afk s ILE 81 Cb -0.17 -1.95 0.03 0.00 1.25 0.00 0.00 42.46 41.61 1afk s ILE 81 CO 0.14 -0.63 -0.05 -0.89 0.24 0.00 0.00 174.94 173.75 1afk s THR 82 N -3.63 0.77 -0.05 8.37 2.01 -0.20 -1.18 115.64 121.73 1afk s THR 82 Ca 0.19 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 1afk s THR 82 Cb 0.06 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1afk s THR 82 CO 0.01 0.32 0.39 -1.81 -0.69 0.00 0.00 174.62 172.84 1afk s ASP 83 N 1.74 6.72 -0.18 3.53 1.01 0.17 -0.75 116.67 128.92 1afk s ASP 83 Ca 0.04 0.86 0.01 0.00 0.71 0.00 0.00 52.55 54.16 1afk s ASP 83 Cb -0.13 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.58 1afk s ASP 83 CO -0.06 0.24 -0.18 0.00 0.21 0.00 0.00 175.17 175.38 1afk s ARG 85 N 1.20 1.66 0.02 0.00 3.52 -1.08 -1.38 118.95 122.89 1afk s ARG 85 Ca 0.02 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 54.88 1afk s ARG 85 Cb -0.14 -1.39 -0.08 0.00 -1.56 0.00 0.00 34.95 31.79 1afk s ARG 85 CO -0.09 0.08 1.74 -2.00 -0.81 0.00 0.00 175.30 174.22 1afk s GLU 86 N 0.50 4.17 0.56 5.12 2.12 0.32 -1.22 118.70 130.27 1afk s GLU 86 Ca -0.12 2.37 -0.18 0.00 0.36 0.00 0.00 54.97 57.40 1afk s GLU 86 Cb -0.14 -3.86 -0.05 0.00 0.26 0.00 0.00 34.13 30.33 1afk s GLU 86 CO 0.03 -0.83 1.09 0.95 -0.54 0.00 0.00 175.26 175.96 1afk s THR 87 N 3.55 3.49 0.45 -1.70 -4.23 -0.67 -4.92 115.64 111.62 1afk s THR 87 Ca 0.78 0.83 0.17 0.00 -1.18 0.00 0.00 61.69 62.28 1afk s THR 87 Cb -0.39 -3.32 0.35 0.00 1.34 0.00 0.00 72.50 70.49 1afk s THR 87 CO 0.34 -0.30 1.95 1.23 -0.54 0.00 0.00 174.62 177.30 1afk h GLY 88 N 0.89 0.54 1.89 3.99 0.00 -1.94 -0.08 103.07 108.37 1afk h GLY 88 Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1afk h GLY 88 CO 0.57 0.06 0.00 -1.14 0.00 0.00 0.00 176.54 176.03 1afk n SER 89 N -4.46 0.00 -4.74 0.19 3.41 -1.26 -4.84 113.62 101.93 1afk n SER 89 Ca 0.12 0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 58.66 1afk n SER 89 Cb 0.50 -0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1afk n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1afk s SER 90 N -2.89 6.59 -0.07 4.04 0.15 -0.04 -4.95 113.70 116.53 1afk s SER 90 Ca 0.16 2.70 -0.03 0.00 0.70 0.00 0.00 55.95 59.48 1afk s SER 90 Cb 0.17 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1afk s SER 90 CO 0.46 -0.77 0.13 -0.75 1.20 0.00 0.00 173.24 173.51 1afk s LYS 91 N 0.08 -0.01 0.37 5.44 2.36 -0.95 -4.88 119.74 122.15 1afk s LYS 91 Ca 0.63 0.49 -0.28 0.00 -2.55 0.00 0.00 55.97 54.27 1afk s LYS 91 Cb -0.43 -0.37 -0.11 0.00 -1.05 0.00 0.00 37.83 35.86 1afk s LYS 91 CO 0.40 -0.32 1.45 0.98 1.55 0.00 0.00 175.35 179.42 1afk n TYR 92 N 5.32 2.84 1.76 4.03 4.19 -1.26 0.15 117.16 134.19 1afk n TYR 92 Ca -0.04 0.46 0.09 0.00 3.31 0.00 0.00 57.90 61.72 1afk n TYR 92 Cb 0.50 -2.51 0.47 0.00 0.49 0.00 0.00 39.34 38.29 1afk n TYR 92 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1afk n PRO 93 N 0.55 1.22 -2.32 2.98 -0.04 -1.26 -4.95 135.00 131.17 1afk n PRO 93 Ca 0.02 -0.34 -0.42 0.00 -0.04 0.00 0.00 63.50 62.73 1afk n PRO 93 Cb 0.38 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1afk n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1afk n ASN 94 N -0.44 6.15 -4.77 3.54 4.13 0.39 -4.99 115.26 119.28 1afk n ASN 94 Ca 0.14 -3.18 -0.40 0.00 1.68 0.00 0.00 54.58 52.82 1afk n ASN 94 Cb 0.14 -1.41 -0.02 0.00 -1.54 0.00 0.00 39.78 36.95 1afk n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1afk s ALA 96 N -1.17 0.48 0.07 0.00 0.00 -1.26 -4.92 121.76 114.96 1afk s ALA 96 Ca 0.50 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.29 1afk s ALA 96 Cb -0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1afk s ALA 96 CO 0.52 0.10 -0.11 0.71 0.00 0.00 0.00 175.76 176.97 1afk s TYR 97 N 0.01 1.01 -0.21 0.00 1.51 -1.26 -1.66 117.35 116.75 1afk s TYR 97 Ca 0.00 -0.54 -0.13 0.00 -1.01 0.00 0.00 57.07 55.40 1afk s TYR 97 Cb -0.04 -0.57 -0.05 0.00 -0.11 0.00 0.00 41.96 41.19 1afk s TYR 97 CO -0.00 -0.00 0.26 0.21 -1.11 0.00 0.00 175.55 174.90 1afk s LYS 98 N -2.06 4.15 -0.27 -0.62 2.47 -0.36 -4.54 119.74 118.51 1afk s LYS 98 Ca -0.02 -0.05 -0.16 0.00 -1.56 0.00 0.00 55.97 54.19 1afk s LYS 98 Cb -0.08 -3.51 -0.03 0.00 -1.46 0.00 0.00 37.83 32.75 1afk s LYS 98 CO 0.01 0.08 0.41 0.99 0.16 0.00 0.00 175.35 177.00 1afk s THR 99 N 0.98 5.15 -0.14 3.43 2.01 -1.26 -2.64 115.64 123.17 1afk s THR 99 Ca 0.13 0.65 -0.00 0.00 0.31 0.00 0.00 61.69 62.77 1afk s THR 99 Cb -0.14 -3.73 0.03 0.00 0.01 0.00 0.00 72.50 68.67 1afk s THR 99 CO 0.05 0.14 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.14 1afk s THR 100 N 2.13 1.19 0.09 -0.82 2.01 -0.20 -4.96 115.64 115.07 1afk s THR 100 Ca 0.16 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.54 1afk s THR 100 Cb -0.16 -1.22 -0.06 0.00 0.01 0.00 0.00 72.50 71.07 1afk s THR 100 CO 0.10 0.33 0.51 -1.58 -0.69 0.00 0.00 174.62 173.29 1afk s GLN 101 N 1.63 4.01 0.23 4.92 2.00 -1.26 0.43 119.66 131.62 1afk s GLN 101 Ca 0.04 0.51 -0.22 0.00 -2.00 0.00 0.00 55.36 53.69 1afk s GLN 101 Cb -0.13 -3.09 0.04 0.00 0.80 0.00 0.00 33.01 30.63 1afk s GLN 101 CO -0.09 0.58 0.69 0.00 -0.50 0.00 0.00 175.29 175.97 1afk s ALA 102 N -1.27 -1.37 -0.31 1.58 0.00 -0.33 -4.98 121.76 115.09 1afk s ALA 102 Ca 0.32 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.30 1afk s ALA 102 Cb -0.17 0.85 0.09 0.00 0.00 0.00 0.00 23.12 23.90 1afk s ALA 102 CO 0.18 -0.94 0.02 -0.80 0.00 0.00 0.00 175.76 174.22 1afk s ASN 103 N -2.86 4.46 0.24 0.00 0.01 -1.26 -0.98 114.94 114.56 1afk s ASN 103 Ca 0.07 -1.83 0.01 0.00 -0.71 0.00 0.00 52.86 50.41 1afk s ASN 103 Cb -0.04 -1.42 -0.04 0.00 0.41 0.00 0.00 41.25 40.16 1afk s ASN 103 CO -0.00 -0.34 0.14 -0.54 -1.51 0.00 0.00 177.10 174.85 1afk s LYS 104 N 1.13 1.37 0.14 -0.60 1.02 -0.81 -4.77 119.74 117.22 1afk s LYS 104 Ca 0.06 -1.75 -0.26 0.00 0.02 0.00 0.00 55.97 54.04 1afk s LYS 104 Cb -0.19 0.10 -0.07 0.00 -0.52 0.00 0.00 37.83 37.15 1afk s LYS 104 CO -0.11 -0.41 0.82 -1.01 -0.92 0.00 0.00 175.35 173.73 1afk s HIS 105 N -3.90 3.86 0.12 3.18 3.76 0.11 -0.31 115.29 122.11 1afk s HIS 105 Ca 0.38 1.65 0.03 0.00 -0.15 0.00 0.00 55.06 56.97 1afk s HIS 105 Cb 0.06 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.87 1afk s HIS 105 CO 0.15 0.41 0.21 0.96 -0.85 0.00 0.00 174.74 175.62 1afk s ILE 106 N -0.73 5.06 -0.13 0.60 -4.36 -1.26 -0.43 121.20 119.95 1afk s ILE 106 Ca 0.39 -0.71 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1afk s ILE 106 Cb -0.23 -3.55 0.02 0.00 1.25 0.00 0.00 42.46 39.96 1afk s ILE 106 CO 0.27 -0.01 -0.12 -0.63 0.24 0.00 0.00 174.94 174.69 1afk s ILE 107 N -1.64 1.34 0.17 8.37 1.01 0.36 -0.90 121.20 129.91 1afk s ILE 107 Ca 0.33 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.57 1afk s ILE 107 Cb -0.11 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1afk s ILE 107 CO 0.26 0.42 -0.16 0.68 0.00 0.00 0.00 174.94 176.14 1afk s VAL 108 N 1.51 1.73 -0.13 2.92 -7.23 -0.61 -0.39 120.40 118.20 1afk s VAL 108 Ca 0.03 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 1afk s VAL 108 Cb -0.13 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1afk s VAL 108 CO -0.09 -0.43 0.12 0.00 -0.31 0.00 0.00 175.10 174.40 1afk s ALA 109 N -2.39 3.77 0.12 1.32 0.00 -0.44 -0.69 121.76 123.45 1afk s ALA 109 Ca 0.17 -0.67 0.10 0.00 0.00 0.00 0.00 51.96 51.56 1afk s ALA 109 Cb -0.04 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1afk s ALA 109 CO 0.06 0.56 -0.24 0.00 0.00 0.00 0.00 175.76 176.14 1afk s GLU 111 N -2.03 1.26 0.38 0.00 2.02 -0.73 -4.90 118.70 114.70 1afk s GLU 111 Ca 0.11 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1afk s GLU 111 Cb -0.10 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.61 1afk s GLU 111 CO 0.05 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.23 1afk n GLY 112 N -0.29 -2.30 2.71 -1.39 0.00 -1.26 -2.13 105.19 100.54 1afk n GLY 112 Ca -0.11 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 1afk n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1afk s ASN 113 N -2.73 2.49 0.74 1.61 2.47 -1.26 -2.40 114.94 115.86 1afk s ASN 113 Ca 0.00 -0.62 -0.14 0.00 0.42 0.00 0.00 52.86 52.52 1afk s ASN 113 Cb 0.00 -0.48 0.04 0.00 -1.45 0.00 0.00 41.25 39.37 1afk s ASN 113 CO 0.00 -0.29 1.19 -2.16 -3.72 0.00 0.00 177.10 172.11 1afk s PRO 114 N 1.95 2.12 -0.53 0.43 0.04 -1.26 -5.07 135.00 132.68 1afk s PRO 114 Ca 0.01 1.69 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 1afk s PRO 114 Cb -0.16 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1afk s PRO 114 CO -0.08 -1.83 1.47 -0.47 0.04 0.00 0.00 177.00 176.13 1afk s TYR 115 N -2.10 2.22 0.18 0.56 5.04 -1.01 -4.89 117.35 117.35 1afk s TYR 115 Ca 0.73 0.54 0.06 0.00 -2.44 0.00 0.00 57.07 55.95 1afk s TYR 115 Cb -0.27 -4.34 -0.05 0.00 0.35 0.00 0.00 41.96 37.65 1afk s TYR 115 CO 0.46 -2.06 -0.11 0.14 -1.34 0.00 0.00 175.55 172.64 1afk s VAL 116 N 6.25 1.39 0.21 3.14 -7.23 -0.90 -4.87 120.40 118.39 1afk s VAL 116 Ca 0.57 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 1afk s VAL 116 Cb -0.12 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.73 1afk s VAL 116 CO 0.26 -0.64 1.41 -2.84 -0.31 0.00 0.00 175.10 172.99 1afk s PRO 117 N -3.72 4.30 0.00 4.82 0.02 -1.26 -1.78 135.00 137.38 1afk s PRO 117 Ca 0.20 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1afk s PRO 117 Cb 0.02 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1afk s PRO 117 CO 0.04 -0.39 0.08 1.33 -0.33 0.00 0.00 177.00 177.73 1afk n VAL 118 N 2.75 0.00 -3.67 3.83 0.24 -0.06 -4.48 118.33 116.93 1afk n VAL 118 Ca 0.08 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 1afk n VAL 118 Cb 0.41 1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 33.78 1afk n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1afk s HIS 119 N -0.50 -0.62 -0.29 6.34 5.65 -1.19 -4.63 115.29 120.05 1afk s HIS 119 Ca 0.00 1.48 -0.13 0.00 0.25 0.00 0.00 55.06 56.66 1afk s HIS 119 Cb 0.00 0.22 -0.04 0.00 -1.18 0.00 0.00 32.58 31.58 1afk s HIS 119 CO 0.00 -0.32 0.27 0.12 -0.65 0.00 0.00 174.74 174.16 1afk s PHE 120 N 0.17 3.23 -0.21 3.88 2.19 -1.26 -1.33 117.98 124.65 1afk s PHE 120 Ca -0.01 0.15 -0.15 0.00 0.33 0.00 0.00 56.93 57.25 1afk s PHE 120 Cb -0.04 -2.48 -0.19 0.00 -1.31 0.00 0.00 43.02 39.00 1afk s PHE 120 CO 0.01 -0.23 0.11 -3.47 1.83 0.00 0.00 175.22 173.47 1afk n ASP 121 N 5.18 1.95 -3.65 6.13 2.03 0.48 -4.97 116.55 123.70 1afk n ASP 121 Ca -0.12 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1afk n ASP 121 Cb 0.51 -0.88 -0.00 0.00 -0.72 0.00 0.00 41.12 40.03 1afk n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afk s ALA 122 N -2.45 -2.07 0.01 -1.67 0.00 -1.05 -4.95 121.76 109.58 1afk s ALA 122 Ca -0.30 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1afk s ALA 122 Cb 0.08 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 1afk s ALA 122 CO 0.61 -1.07 -0.11 -1.54 0.00 0.00 0.00 175.76 173.66 1afk s SER 123 N -3.11 1.32 0.00 0.00 1.04 -1.26 -0.49 113.70 111.20 1afk s SER 123 Ca 0.16 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1afk s SER 123 Cb 0.02 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1afk s SER 123 CO -0.01 0.06 0.00 1.33 0.98 0.00 0.00 173.24 175.60