#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya n THR 3 N 0.00 2.20 -0.26 1.39 -1.04 -1.26 -4.79 114.28 110.52 2gya n THR 3 Ca 0.00 -0.50 0.01 0.00 -2.04 0.00 0.00 64.05 61.52 2gya n THR 3 Cb 0.00 -1.69 0.14 0.00 -1.82 0.00 0.00 70.33 66.96 2gya n THR 3 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2gya h LYS 4 N 2.51 0.70 -0.76 -2.82 1.63 -2.05 0.10 116.57 115.88 2gya h LYS 4 Ca -0.48 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.25 2gya h LYS 4 Cb 1.27 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 32.71 2gya h LYS 4 CO 0.62 0.46 0.35 -0.44 -3.45 0.00 0.00 179.45 176.99 2gya h ASP 5 N 0.72 0.99 -0.70 4.20 3.32 -2.00 -0.86 116.42 122.09 2gya h ASP 5 Ca 0.35 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 2gya h ASP 5 Cb 0.30 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2gya h ASP 5 CO -0.23 0.85 0.22 1.56 -1.72 0.00 0.00 179.24 179.92 2gya h GLN 6 N 1.08 1.09 -0.64 3.56 1.08 -1.41 -2.00 115.11 117.86 2gya h GLN 6 Ca 0.26 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2gya h GLN 6 Cb 0.13 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2gya h GLN 6 CO -0.03 0.93 0.23 0.82 -0.95 0.00 0.00 178.83 179.83 2gya h ILE 7 N 1.03 1.24 -0.55 2.54 2.04 -0.19 -0.29 117.51 123.32 2gya h ILE 7 Ca 0.23 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.30 2gya h ILE 7 Cb 0.30 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2gya h ILE 7 CO -0.01 0.31 0.37 0.40 0.00 0.00 0.00 178.15 179.22 2gya h ILE 8 N 0.91 1.14 -0.54 -0.67 1.08 -0.87 -1.28 117.51 117.29 2gya h ILE 8 Ca 0.21 -0.26 -0.10 0.00 -0.39 0.00 0.00 64.86 64.31 2gya h ILE 8 Cb 0.25 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 2gya h ILE 8 CO -0.01 0.14 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.43 2gya h GLU 9 N 0.75 0.98 -0.69 2.37 4.57 -1.09 -2.53 114.58 118.94 2gya h GLU 9 Ca 0.20 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2gya h GLU 9 Cb -0.08 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 2gya h GLU 9 CO -0.04 1.01 0.44 0.00 -1.18 0.00 0.00 179.01 179.24 2gya h ALA 10 N 1.02 0.88 -0.46 2.92 0.00 -0.59 -2.15 119.26 120.88 2gya h ALA 10 Ca 0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2gya h ALA 10 Cb 0.62 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2gya h ALA 10 CO 0.04 0.32 0.02 0.28 0.00 0.00 0.00 179.25 179.92 2gya h VAL 11 N 0.94 1.23 0.00 0.00 2.07 -1.09 -1.28 116.25 118.11 2gya h VAL 11 Ca 0.25 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 2gya h VAL 11 Cb -0.07 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2gya h VAL 11 CO -0.05 0.33 -0.27 0.00 0.02 0.00 0.00 177.57 177.59 2gya h ALA 12 N 1.33 1.38 0.21 1.67 0.00 -0.98 -2.91 119.26 119.95 2gya h ALA 12 Ca 0.14 -0.25 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 2gya h ALA 12 Cb 0.40 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.17 2gya h ALA 12 CO 0.01 0.34 -1.55 0.00 0.00 0.00 0.00 179.25 178.05 2gya h ALA 13 N 1.73 -0.01 -2.40 0.00 0.00 -0.86 -3.46 119.26 114.26 2gya h ALA 13 Ca -0.00 -0.97 -0.57 0.00 0.00 0.00 0.00 54.91 53.36 2gya h ALA 13 Cb 0.54 0.26 0.08 0.00 0.00 0.00 0.00 17.79 18.67 2gya h ALA 13 CO 0.04 0.86 0.67 -1.33 0.00 0.00 0.00 179.25 179.49 2gya n MET 14 N -3.64 2.15 -1.79 0.00 2.81 -0.53 -4.94 117.12 111.18 2gya n MET 14 Ca -0.19 0.77 -0.34 0.00 -1.81 0.00 0.00 57.70 56.13 2gya n MET 14 Cb 1.09 -2.45 0.05 0.00 -0.71 0.00 0.00 33.22 31.19 2gya n MET 14 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2gya s SER 15 N 0.37 4.97 0.59 7.83 1.04 -1.26 -4.78 113.70 122.46 2gya s SER 15 Ca 0.68 2.20 0.29 0.00 0.48 0.00 0.00 55.95 59.60 2gya s SER 15 Cb -0.63 -2.57 1.48 0.00 0.10 0.00 0.00 66.02 64.40 2gya s SER 15 CO 0.48 -1.73 1.90 0.58 0.98 0.00 0.00 173.24 175.45 2gya h VAL 16 N 0.28 0.35 -0.40 5.02 2.07 -1.93 0.80 116.25 122.45 2gya h VAL 16 Ca -0.48 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 2gya h VAL 16 Cb 1.27 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2gya h VAL 16 CO 0.53 0.00 -0.04 -0.03 0.02 0.00 0.00 177.57 178.06 2gya h MET 17 N 0.00 0.73 0.00 1.57 1.85 -2.00 -0.74 114.93 116.34 2gya h MET 17 Ca 0.20 -0.25 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 2gya h MET 17 Cb 1.14 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 33.11 2gya h MET 17 CO -0.00 0.84 -0.06 -0.44 -0.40 0.00 0.00 176.91 176.85 2gya h ASP 18 N 0.55 0.00 0.26 1.39 3.32 0.30 -3.00 116.42 119.23 2gya h ASP 18 Ca 0.11 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.83 2gya h ASP 18 Cb 0.53 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 2gya h ASP 18 CO 0.03 0.06 -2.03 0.55 -1.72 0.00 0.00 179.24 176.13 2gya n VAL 19 N -3.35 1.51 0.18 -1.35 3.14 -0.92 -3.89 118.33 113.65 2gya n VAL 19 Ca -0.01 -0.82 -0.07 0.00 -2.96 0.00 0.00 64.34 60.48 2gya n VAL 19 Cb 0.21 -0.79 -0.03 0.00 -1.06 0.00 0.00 33.84 32.17 2gya n VAL 19 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2gya h VAL 20 N 0.00 0.00 0.00 1.55 2.07 -0.99 -0.59 116.25 118.29 2gya h VAL 20 Ca -0.41 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2gya h VAL 20 Cb 2.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2gya h VAL 20 CO 0.06 0.00 0.26 -0.33 0.02 0.00 0.00 177.57 177.58 2gya h GLU 21 N -0.46 0.00 -0.05 1.57 5.08 -1.79 -0.13 114.58 118.81 2gya h GLU 21 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2gya h GLU 21 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2gya h GLU 21 CO 0.07 0.00 -0.16 1.25 -1.00 0.00 0.00 179.01 179.17 2gya h LEU 22 N 0.00 0.23 -0.69 1.33 5.85 -1.49 -0.68 115.31 119.85 2gya h LEU 22 Ca 0.00 -0.63 -0.13 0.00 0.84 0.00 0.00 57.88 57.97 2gya h LEU 22 Cb 0.53 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2gya h LEU 22 CO 0.00 0.81 -0.39 0.16 -0.34 0.00 0.00 178.44 178.69 2gya h ILE 23 N -0.35 1.30 -0.19 4.05 -0.00 0.51 -1.35 117.51 121.48 2gya h ILE 23 Ca -0.01 -1.54 -0.10 0.00 -0.00 0.00 0.00 64.86 63.21 2gya h ILE 23 Cb 0.80 1.52 -0.01 0.00 -0.00 0.00 0.00 36.82 39.13 2gya h ILE 23 CO 0.03 0.49 -0.32 0.77 -0.00 0.00 0.00 178.15 179.12 2gya h SER 24 N 0.47 0.39 0.37 2.16 4.64 -1.40 -1.76 113.55 118.41 2gya h SER 24 Ca 0.04 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 2gya h SER 24 Cb 0.88 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2gya h SER 24 CO 0.08 0.69 -0.18 0.00 -0.87 0.00 0.00 176.83 176.55 2gya h ALA 25 N 1.33 -0.49 -0.42 5.18 0.00 -0.50 -2.03 119.26 122.33 2gya h ALA 25 Ca 0.04 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2gya h ALA 25 Cb 0.73 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2gya h ALA 25 CO 0.06 -0.74 0.29 0.52 0.00 0.00 0.00 179.25 179.37 2gya h MET 26 N -0.56 0.26 -0.49 0.00 2.86 -1.10 -1.17 114.93 114.74 2gya h MET 26 Ca -0.05 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2gya h MET 26 Cb 0.42 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2gya h MET 26 CO 0.08 0.17 0.29 1.49 1.06 0.00 0.00 176.91 180.00 2gya h GLU 27 N 0.27 0.66 -0.35 1.72 4.81 -0.60 -2.29 114.58 118.79 2gya h GLU 27 Ca 0.19 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2gya h GLU 27 Cb 0.41 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2gya h GLU 27 CO -0.04 0.47 -0.07 1.49 -0.73 0.00 0.00 179.01 180.13 2gya h GLU 28 N 0.67 0.67 0.00 1.92 4.57 -0.83 -2.29 114.58 119.29 2gya h GLU 28 Ca 0.18 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2gya h GLU 28 Cb -0.02 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2gya h GLU 28 CO -0.03 0.83 0.00 1.17 -1.18 0.00 0.00 179.01 179.79 2gya n LYS 29 N -4.42 0.00 -0.33 1.92 3.00 -1.10 -4.43 118.16 112.80 2gya n LYS 29 Ca -0.02 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.46 2gya n LYS 29 Cb 0.33 -0.23 0.38 0.00 0.00 0.00 0.00 35.03 35.50 2gya n LYS 29 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2gya h PHE 30 N 0.00 0.90 0.00 5.64 0.04 -1.64 -3.48 116.94 118.40 2gya h PHE 30 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2gya h PHE 30 Cb 0.00 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.91 2gya h PHE 30 CO 0.00 -0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2gya n GLY 31 N -1.32 2.30 0.36 -1.45 0.00 -0.86 -4.22 105.19 100.01 2gya n GLY 31 Ca 0.26 -1.99 0.18 0.00 0.00 0.00 0.00 46.02 44.48 2gya n GLY 31 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2gya h VAL 32 N 0.00 0.58 0.25 1.61 -1.51 -1.88 0.30 116.25 115.60 2gya h VAL 32 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2gya h VAL 32 Cb 0.00 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 2gya h VAL 32 CO 0.00 0.00 -0.12 -1.28 -1.23 0.00 0.00 177.57 174.94 2gya h SER 33 N 0.00 -0.28 0.32 4.19 0.87 -1.92 -2.74 113.55 113.99 2gya h SER 33 Ca 0.17 -0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 2gya h SER 33 Cb 0.78 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2gya h SER 33 CO -0.00 0.19 -0.54 0.00 -0.53 0.00 0.00 176.83 175.95 2gya h ALA 34 N -1.00 0.92 -0.00 6.23 0.00 -1.68 -2.87 119.26 120.87 2gya h ALA 34 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2gya h ALA 34 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2gya h ALA 34 CO 0.06 0.69 -0.05 0.00 0.00 0.00 0.00 179.25 179.94 2gya n ALA 35 N -2.47 2.59 0.07 0.00 0.00 0.10 -3.66 120.51 117.15 2gya n ALA 35 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.28 2gya n ALA 35 Cb 0.57 -1.43 0.44 0.00 0.00 0.00 0.00 19.45 19.04 2gya n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya h ALA 36 N 3.45 1.68 0.22 0.00 0.00 -1.24 -1.57 119.26 121.80 2gya h ALA 36 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2gya h ALA 36 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2gya h ALA 36 CO 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 179.25 179.29 2gya h ALA 37 N 1.75 -0.43 -0.02 0.00 0.00 -1.76 -1.27 119.26 117.52 2gya h ALA 37 Ca 0.10 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2gya h ALA 37 Cb 0.08 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2gya h ALA 37 CO -0.01 -0.77 -0.66 -0.24 0.00 0.00 0.00 179.25 177.57 2gya h VAL 38 N -0.46 1.44 -0.59 0.00 3.04 -1.78 -2.77 116.25 115.14 2gya h VAL 38 Ca -0.00 -2.19 -0.05 0.00 -1.01 0.00 0.00 66.70 63.44 2gya h VAL 38 Cb 0.42 2.16 -0.02 0.00 -2.01 0.00 0.00 31.29 31.84 2gya h VAL 38 CO -0.04 0.63 0.16 0.00 -1.01 0.00 0.00 177.57 177.31 2gya h ALA 39 N 1.26 0.78 0.00 3.17 0.00 -1.07 0.27 119.26 123.66 2gya h ALA 39 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2gya h ALA 39 Cb 1.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2gya h ALA 39 CO 0.09 0.46 -0.45 -0.24 0.00 0.00 0.00 179.25 179.11 2gya h VAL 40 N 0.84 0.80 0.00 0.00 3.04 -1.26 -2.98 116.25 116.71 2gya h VAL 40 Ca 0.19 -2.05 -0.14 0.00 -1.01 0.00 0.00 66.70 63.69 2gya h VAL 40 Cb 0.32 2.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.91 2gya h VAL 40 CO -0.00 0.44 -1.30 0.00 -1.01 0.00 0.00 177.57 175.71 2gya h ALA 41 N 1.55 0.63 0.25 3.17 0.00 -1.30 -3.37 119.26 120.18 2gya h ALA 41 Ca -0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 54.91 53.88 2gya h ALA 41 Cb 1.29 0.22 0.04 0.00 0.00 0.00 0.00 17.79 19.34 2gya h ALA 41 CO 0.06 0.76 -1.47 0.00 0.00 0.00 0.00 179.25 178.60 2gya h ALA 42 N 1.52 -0.14 -0.98 0.00 0.00 -0.52 -3.34 119.26 115.80 2gya h ALA 42 Ca -0.13 -0.87 0.20 0.00 0.00 0.00 0.00 54.91 54.11 2gya h ALA 42 Cb 1.48 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 19.33 2gya h ALA 42 CO 0.04 0.72 0.58 0.78 0.00 0.00 0.00 179.25 181.37 2gya h GLY 43 N 0.30 1.76 -1.83 0.00 0.00 -1.69 -2.81 103.07 98.81 2gya h GLY 43 Ca -0.25 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2gya h GLY 43 CO 0.27 -0.10 0.00 -1.05 0.00 0.00 0.00 176.54 175.66 2gya n PRO 44 N -4.81 0.08 0.00 4.80 -0.02 -1.25 -4.24 135.00 129.55 2gya n PRO 44 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2gya n PRO 44 Cb 0.59 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 2gya n PRO 44 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2gya n VAL 45 N 0.88 0.41 -2.35 -1.45 0.24 -1.06 -4.79 118.33 110.21 2gya n VAL 45 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 2gya n VAL 45 Cb 0.04 -0.64 -0.02 0.00 -1.47 0.00 0.00 33.84 31.74 2gya n VAL 45 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2gya n GLU 46 N 0.54 -1.15 0.16 7.34 0.28 -1.26 -4.67 120.64 121.88 2gya n GLU 46 Ca 0.00 0.04 0.04 0.00 -0.16 0.00 0.00 57.16 57.08 2gya n GLU 46 Cb 0.25 -1.92 0.08 0.00 1.43 0.00 0.00 31.44 31.28 2gya n GLU 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2gya h ALA 47 N 1.55 0.74 0.00 -1.84 0.00 -1.86 -2.59 119.26 115.26 2gya h ALA 47 Ca -0.18 -0.39 -0.38 0.00 0.00 0.00 0.00 54.91 53.97 2gya h ALA 47 Cb 0.53 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2gya h ALA 47 CO 0.27 0.53 -2.40 0.00 0.00 0.00 0.00 179.25 177.65 2gya n ALA 48 N -2.21 1.45 1.10 0.00 0.00 -1.26 -3.83 120.51 115.74 2gya n ALA 48 Ca 0.02 -1.18 0.11 0.00 0.00 0.00 0.00 53.44 52.39 2gya n ALA 48 Cb 0.69 -0.18 0.58 0.00 0.00 0.00 0.00 19.45 20.53 2gya n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2gya n GLU 49 N -3.04 0.36 -0.00 0.00 1.02 -1.24 -2.91 120.64 114.82 2gya n GLU 49 Ca -0.39 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 56.88 2gya n GLU 49 Cb 1.07 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.89 2gya n GLU 49 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2gya n GLU 50 N -1.26 0.99 -1.32 3.49 1.02 -0.98 -4.99 120.64 117.59 2gya n GLU 50 Ca 0.11 -0.09 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 2gya n GLU 50 Cb 0.17 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 2gya n GLU 50 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2gya n LYS 51 N -1.79 -0.74 0.00 3.49 4.01 -1.15 -5.10 118.16 116.88 2gya n LYS 51 Ca -0.01 0.87 0.00 0.00 -0.51 0.00 0.00 58.31 58.66 2gya n LYS 51 Cb 0.31 -4.82 0.00 0.00 -0.51 0.00 0.00 35.03 30.01 2gya n LYS 51 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2gya n THR 52 N -2.71 0.00 0.00 -0.18 -2.24 -1.25 -5.09 114.28 102.81 2gya n THR 52 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2gya n THR 52 Cb 0.35 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2gya n THR 52 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gya n GLU 53 N 0.00 0.00 -4.48 -0.78 1.02 -1.26 -5.02 120.64 110.12 2gya n GLU 53 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 2gya n GLU 53 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 2gya n GLU 53 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2gya s PHE 54 N 0.00 1.77 0.24 -0.32 0.40 0.23 -4.68 117.98 115.62 2gya s PHE 54 Ca 0.00 -1.34 0.02 0.00 -0.60 0.00 0.00 56.93 55.01 2gya s PHE 54 Cb 0.00 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 2gya s PHE 54 CO 0.00 -0.38 0.18 0.16 0.70 0.00 0.00 175.22 175.88 2gya s ASP 55 N -3.57 0.67 -0.65 1.36 -4.77 -1.24 -3.13 116.67 105.34 2gya s ASP 55 Ca 0.26 -1.51 0.02 0.00 -3.30 0.00 0.00 52.55 48.03 2gya s ASP 55 Cb 0.03 0.43 0.16 0.00 -1.09 0.00 0.00 42.92 42.45 2gya s ASP 55 CO 0.16 -0.91 0.43 -0.69 0.70 0.00 0.00 175.17 174.87 2gya s VAL 56 N -3.92 3.12 0.07 2.11 1.01 -1.26 -3.58 120.40 117.95 2gya s VAL 56 Ca 0.40 -3.64 -0.30 0.00 0.00 0.00 0.00 61.98 58.43 2gya s VAL 56 Cb 0.06 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 2gya s VAL 56 CO 0.17 -0.92 1.17 -0.63 0.00 0.00 0.00 175.10 174.89 2gya s ILE 57 N -0.76 4.08 -1.15 2.22 1.01 0.05 -3.91 121.20 122.74 2gya s ILE 57 Ca 0.21 1.53 -0.11 0.00 0.00 0.00 0.00 60.65 62.28 2gya s ILE 57 Cb -0.16 -3.98 0.23 0.00 0.01 0.00 0.00 42.46 38.56 2gya s ILE 57 CO -0.07 0.14 1.24 -0.22 0.00 0.00 0.00 174.94 176.02 2gya s LEU 58 N 0.84 5.82 0.12 2.97 2.96 -1.26 -0.16 118.68 129.96 2gya s LEU 58 Ca 0.57 -3.34 -0.24 0.00 -0.22 0.00 0.00 54.13 50.90 2gya s LEU 58 Cb -0.29 -2.29 -0.07 0.00 0.50 0.00 0.00 46.19 44.05 2gya s LEU 58 CO 0.30 -0.48 1.66 0.11 -1.32 0.00 0.00 176.35 176.62 2gya h LYS 59 N 6.89 -0.28 -4.89 1.98 1.57 -1.29 -3.44 116.57 117.11 2gya h LYS 59 Ca 0.23 0.02 -0.43 0.00 -1.87 0.00 0.00 60.65 58.61 2gya h LYS 59 Cb 0.88 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.11 2gya h LYS 59 CO 1.10 -0.19 -0.55 0.00 -0.57 0.00 0.00 179.45 179.25 2gya s ALA 60 N -6.12 1.99 0.00 3.86 0.00 0.36 -4.97 121.76 116.88 2gya s ALA 60 Ca -0.15 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.06 2gya s ALA 60 Cb 0.09 1.17 0.00 0.00 0.00 0.00 0.00 23.12 24.38 2gya s ALA 60 CO 0.66 -0.52 0.00 0.00 0.00 0.00 0.00 175.76 175.91 2gya n ALA 61 N -0.60 0.23 0.00 0.00 0.00 -1.26 -1.13 120.51 117.75 2gya n ALA 61 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2gya n ALA 61 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2gya n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gya n GLY 62 N 0.04 2.51 0.14 0.00 0.00 -1.10 -2.79 105.19 104.00 2gya n GLY 62 Ca 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 46.02 44.93 2gya n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gya n ALA 63 N 1.22 0.09 -2.58 4.61 0.00 -1.26 -4.31 120.51 118.28 2gya n ALA 63 Ca 0.00 0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.15 2gya n ALA 63 Cb 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 19.45 19.28 2gya n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2gya s ASN 64 N -2.57 4.54 0.00 0.00 0.01 -1.26 -5.07 114.94 110.58 2gya s ASN 64 Ca -0.00 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 2gya s ASN 64 Cb 0.01 -1.05 0.00 0.00 0.41 0.00 0.00 41.25 40.62 2gya s ASN 64 CO 0.04 0.30 0.00 0.29 -1.51 0.00 0.00 177.10 176.23 2gya n LYS 65 N 1.74 0.00 0.00 -0.60 4.01 -1.26 -4.22 118.16 117.83 2gya n LYS 65 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 2gya n LYS 65 Cb 0.53 -0.21 0.00 0.00 -0.51 0.00 0.00 35.03 34.84 2gya n LYS 65 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 2gya n VAL 66 N 0.00 0.00 -0.26 -0.18 3.14 -1.26 0.14 118.33 119.91 2gya n VAL 66 Ca 0.00 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 2gya n VAL 66 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 2gya n VAL 66 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gya n ALA 67 N 0.00 -0.27 0.32 1.55 0.00 -1.26 0.43 120.51 121.28 2gya n ALA 67 Ca 0.00 0.58 -0.15 0.00 0.00 0.00 0.00 53.44 53.87 2gya n ALA 67 Cb 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.20 2gya n ALA 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gya h VAL 68 N 0.00 0.25 -0.86 0.00 2.07 0.11 -2.69 116.25 115.13 2gya h VAL 68 Ca 0.15 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.44 2gya h VAL 68 Cb 0.31 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 2gya h VAL 68 CO -0.61 0.03 0.53 0.40 0.02 0.00 0.00 177.57 177.94 2gya h ILE 69 N -1.06 1.03 -0.41 4.57 2.04 -0.13 -0.61 117.51 122.94 2gya h ILE 69 Ca -0.08 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.53 2gya h ILE 69 Cb 0.68 -0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 2gya h ILE 69 CO 0.14 0.18 -0.28 0.11 0.00 0.00 0.00 178.15 178.29 2gya h LYS 70 N 0.96 -0.20 -0.79 2.37 1.57 0.90 2.90 116.57 124.28 2gya h LYS 70 Ca 0.38 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.20 2gya h LYS 70 Cb 0.20 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 2gya h LYS 70 CO -0.18 -0.13 0.51 0.00 -0.57 0.00 0.00 179.45 179.08 2gya h ALA 71 N 0.91 1.02 -0.05 3.86 0.00 -1.01 0.48 119.26 124.47 2gya h ALA 71 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2gya h ALA 71 Cb 0.51 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2gya h ALA 71 CO -0.53 0.36 0.03 0.28 0.00 0.00 0.00 179.25 179.39 2gya h VAL 72 N 1.02 1.09 -0.91 0.00 2.07 0.11 0.37 116.25 120.00 2gya h VAL 72 Ca 0.30 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2gya h VAL 72 Cb -0.05 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2gya h VAL 72 CO -0.09 0.08 0.60 0.03 0.02 0.00 0.00 177.57 178.21 2gya h ARG 73 N -0.02 1.17 -0.01 1.57 3.08 0.56 0.97 114.38 121.70 2gya h ARG 73 Ca 0.02 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 2gya h ARG 73 Cb 0.10 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2gya h ARG 73 CO -0.00 0.78 -0.77 0.78 -1.07 0.00 0.00 179.97 179.68 2gya h GLY 74 N 1.21 0.14 1.17 0.04 0.00 0.33 0.60 103.07 106.56 2gya h GLY 74 Ca 0.34 -0.22 -0.31 0.00 0.00 0.00 0.00 47.33 47.13 2gya h GLY 74 CO -0.08 0.20 -1.58 0.00 0.00 0.00 0.00 176.54 175.08 2gya h ALA 75 N 1.13 0.29 0.00 3.60 0.00 0.38 -3.41 119.26 121.24 2gya h ALA 75 Ca -0.02 -1.14 -0.40 0.00 0.00 0.00 0.00 54.91 53.34 2gya h ALA 75 Cb 1.35 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 2gya h ALA 75 CO 0.11 1.16 -2.37 0.25 0.00 0.00 0.00 179.25 178.40 2gya n THR 76 N -3.45 1.35 -0.14 0.00 -2.24 0.33 -5.06 114.28 105.06 2gya n THR 76 Ca -0.18 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2gya n THR 76 Cb 1.05 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 2gya n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gya n GLY 77 N 1.59 0.24 2.99 3.38 0.00 0.21 -5.02 105.19 108.58 2gya n GLY 77 Ca -0.47 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 2gya n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gya s LEU 78 N -0.07 2.23 0.00 0.99 1.43 -1.24 -5.03 118.68 117.00 2gya s LEU 78 Ca 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2gya s LEU 78 Cb 0.00 0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.26 2gya s LEU 78 CO 0.00 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.92 2gya n GLY 79 N 1.63 1.67 2.57 -3.19 0.00 -1.26 -4.84 105.19 101.77 2gya n GLY 79 Ca -0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 2gya n GLY 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gya n LEU 80 N 0.00 3.14 0.00 0.99 7.99 -1.26 -4.79 117.00 123.06 2gya n LEU 80 Ca 0.00 -4.68 0.00 0.00 -0.01 0.00 0.00 56.01 51.32 2gya n LEU 80 Cb 0.00 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 2gya n LEU 80 CO 0.00 2.00 0.00 1.17 -1.51 0.00 0.00 177.39 179.05 2gya n LYS 81 N -0.24 0.00 -0.09 3.23 0.00 -1.26 -4.94 118.16 114.85 2gya n LYS 81 Ca 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.47 2gya n LYS 81 Cb 0.69 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.57 2gya n LYS 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2gya n GLU 82 N 0.00 0.81 -0.13 1.64 4.71 -1.26 -4.60 120.64 121.81 2gya n GLU 82 Ca 0.00 -0.01 0.04 0.00 -0.01 0.00 0.00 57.16 57.17 2gya n GLU 82 Cb 0.00 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 28.98 2gya n GLU 82 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gya n ALA 83 N -2.71 1.95 -3.03 0.62 0.00 -1.26 -4.85 120.51 111.22 2gya n ALA 83 Ca -0.31 -1.54 -0.20 0.00 0.00 0.00 0.00 53.44 51.39 2gya n ALA 83 Cb 1.13 -0.25 -0.02 0.00 0.00 0.00 0.00 19.45 20.30 2gya n ALA 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gya n LYS 84 N -0.67 1.69 0.00 0.00 5.02 -1.26 -4.38 118.16 118.55 2gya n LYS 84 Ca 0.06 -3.79 0.00 0.00 -2.02 0.00 0.00 58.31 52.55 2gya n LYS 84 Cb 0.53 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2gya n LYS 84 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2gya n ASP 85 N 0.07 0.00 0.00 4.39 2.03 -1.26 -4.58 116.55 117.20 2gya n ASP 85 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2gya n ASP 85 Cb 0.61 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2gya n ASP 85 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2gya n LEU 86 N 0.00 0.00 0.00 -2.67 0.00 -1.26 -4.98 117.00 108.09 2gya n LEU 86 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 56.01 56.15 2gya n LEU 86 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 43.42 44.07 2gya n LEU 86 CO 0.00 0.00 0.97 0.52 0.00 0.00 0.00 177.39 178.88 2gya n VAL 87 N 0.00 0.04 0.00 1.96 0.31 -1.26 -0.31 118.33 119.07 2gya n VAL 87 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2gya n VAL 87 Cb 0.00 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 2gya n VAL 87 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2gya n GLU 88 N -1.42 0.00 -0.49 5.55 1.02 -1.26 -3.33 120.64 120.71 2gya n GLU 88 Ca 0.09 0.31 0.41 0.00 -0.02 0.00 0.00 57.16 57.96 2gya n GLU 88 Cb 0.30 -0.81 0.73 0.00 -0.02 0.00 0.00 31.44 31.63 2gya n GLU 88 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2gya h SER 89 N 0.00 0.11 0.00 1.62 0.02 -1.97 -3.43 113.55 109.90 2gya h SER 89 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2gya h SER 89 Cb 0.00 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2gya h SER 89 CO 0.00 -0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.64 2gya n ALA 90 N -2.73 0.00 -0.46 3.77 0.00 -0.95 -4.84 120.51 115.30 2gya n ALA 90 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2gya n ALA 90 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.99 2gya n ALA 90 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2gya n PRO 91 N -1.83 -0.09 0.04 0.00 -0.02 0.57 -4.19 135.00 129.48 2gya n PRO 91 Ca 0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2gya n PRO 91 Cb 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 2gya n PRO 91 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gya n ALA 92 N -0.11 0.00 -0.46 3.55 0.00 -1.26 -3.63 120.51 118.60 2gya n ALA 92 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2gya n ALA 92 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2gya n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya n ALA 93 N -0.55 3.44 -0.14 0.00 0.00 -1.26 -3.66 120.51 118.34 2gya n ALA 93 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 53.44 52.49 2gya n ALA 93 Cb 0.26 -2.38 0.04 0.00 0.00 0.00 0.00 19.45 17.38 2gya n ALA 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2gya h LEU 94 N 6.06 -0.22 -7.68 0.00 7.12 -1.68 -3.43 115.31 115.48 2gya h LEU 94 Ca 0.13 0.11 -0.08 0.00 0.13 0.00 0.00 57.88 58.17 2gya h LEU 94 Cb 0.58 0.20 -0.14 0.00 -0.53 0.00 0.00 40.66 40.77 2gya h LEU 94 CO 0.54 -0.07 -0.29 -0.75 -0.13 0.00 0.00 178.44 177.73 2gya s LYS 95 N -6.18 0.88 0.12 1.25 2.20 -1.26 -4.80 119.74 111.94 2gya s LYS 95 Ca -0.14 -0.83 0.04 0.00 -0.36 0.00 0.00 55.97 54.69 2gya s LYS 95 Cb 0.15 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.80 2gya s LYS 95 CO 0.72 -0.29 -0.10 -1.21 -0.36 0.00 0.00 175.35 174.11 2gya s GLU 96 N -3.59 0.93 -1.17 4.03 2.02 -1.26 -4.16 118.70 115.50 2gya s GLU 96 Ca 0.03 -1.31 -0.06 0.00 0.02 0.00 0.00 54.97 53.64 2gya s GLU 96 Cb 0.03 -0.51 0.01 0.00 0.10 0.00 0.00 34.13 33.75 2gya s GLU 96 CO -0.10 0.06 0.85 0.41 0.02 0.00 0.00 175.26 176.50 2gya n GLY 97 N 0.15 -0.29 3.75 -1.39 0.00 -1.25 -5.02 105.19 101.13 2gya n GLY 97 Ca -0.13 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2gya n GLY 97 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gya s VAL 98 N -3.21 4.38 1.15 1.61 -7.23 -1.18 -4.91 120.40 111.01 2gya s VAL 98 Ca 0.42 -0.78 -0.18 0.00 -1.81 0.00 0.00 61.98 59.63 2gya s VAL 98 Cb -0.19 -3.09 0.26 0.00 0.56 0.00 0.00 36.38 33.93 2gya s VAL 98 CO 0.52 0.16 1.12 -0.94 -0.31 0.00 0.00 175.10 175.65 2gya s SER 99 N -2.25 1.35 0.18 4.85 1.04 -1.26 -0.60 113.70 117.00 2gya s SER 99 Ca 0.27 0.71 -0.11 0.00 0.48 0.00 0.00 55.95 57.30 2gya s SER 99 Cb -0.12 -1.02 0.08 0.00 0.10 0.00 0.00 66.02 65.07 2gya s SER 99 CO 0.20 -3.87 1.72 0.50 0.98 0.00 0.00 173.24 172.76 2gya h LYS 100 N -2.41 0.96 0.19 4.02 1.63 -1.98 0.00 116.57 118.99 2gya h LYS 100 Ca -0.47 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.13 2gya h LYS 100 Cb 1.30 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2gya h LYS 100 CO 0.39 0.84 -0.09 0.22 -3.45 0.00 0.00 179.45 177.36 2gya h ASP 101 N 0.89 -0.21 -0.39 4.20 1.82 -1.98 0.25 116.42 121.00 2gya h ASP 101 Ca 0.20 -0.22 0.04 0.00 -0.39 0.00 0.00 57.03 56.67 2gya h ASP 101 Cb 0.27 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.29 2gya h ASP 101 CO -0.01 0.11 0.15 0.44 -1.61 0.00 0.00 179.24 178.32 2gya h ASP 102 N -0.56 0.18 -0.11 2.28 3.32 -1.91 0.57 116.42 120.19 2gya h ASP 102 Ca -0.03 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2gya h ASP 102 Cb 0.42 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2gya h ASP 102 CO 0.04 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 2gya h ALA 103 N 1.24 1.63 -0.18 3.45 0.00 -0.97 0.23 119.26 124.65 2gya h ALA 103 Ca 0.18 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 2gya h ALA 103 Cb 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2gya h ALA 103 CO -0.17 0.28 -0.72 1.49 0.00 0.00 0.00 179.25 180.13 2gya h GLU 104 N 0.29 0.81 -0.42 0.00 4.57 0.69 -1.92 114.58 118.61 2gya h GLU 104 Ca 0.07 -0.63 -0.09 0.00 -1.18 0.00 0.00 59.36 57.53 2gya h GLU 104 Cb 0.20 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2gya h GLU 104 CO 0.00 1.24 -0.10 0.00 -1.18 0.00 0.00 179.01 178.98 2gya h ALA 105 N 0.58 0.58 -0.65 2.92 0.00 0.88 -1.99 119.26 121.56 2gya h ALA 105 Ca -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2gya h ALA 105 Cb 1.35 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2gya h ALA 105 CO 0.15 0.46 0.32 -0.07 0.00 0.00 0.00 179.25 180.11 2gya h LEU 106 N 0.63 0.85 -0.60 0.00 3.38 -0.58 -1.81 115.31 117.18 2gya h LEU 106 Ca 0.11 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2gya h LEU 106 Cb 0.63 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2gya h LEU 106 CO 0.04 0.74 0.37 0.50 0.09 0.00 0.00 178.44 180.18 2gya h LYS 107 N 0.90 0.72 0.49 1.13 3.64 -1.18 -1.85 116.57 120.41 2gya h LYS 107 Ca 0.23 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2gya h LYS 107 Cb 0.11 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2gya h LYS 107 CO -0.03 0.47 -0.40 -0.22 -2.27 0.00 0.00 179.45 177.00 2gya h LYS 108 N 0.74 -0.85 -0.72 1.90 1.63 -0.86 0.22 116.57 118.63 2gya h LYS 108 Ca 0.24 0.06 0.16 0.00 -0.85 0.00 0.00 60.65 60.25 2gya h LYS 108 Cb 0.01 0.19 -0.11 0.00 -0.60 0.00 0.00 32.23 31.72 2gya h LYS 108 CO -0.10 -0.57 0.13 0.00 -3.45 0.00 0.00 179.45 175.47 2gya h ALA 109 N -0.56 0.88 -0.35 5.00 0.00 -1.12 0.32 119.26 123.43 2gya h ALA 109 Ca -0.05 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2gya h ALA 109 Cb 0.76 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2gya h ALA 109 CO -0.01 -0.36 0.01 -0.07 0.00 0.00 0.00 179.25 178.82 2gya h LEU 110 N 0.23 0.60 -1.51 0.00 3.38 -1.01 -2.37 115.31 114.63 2gya h LEU 110 Ca 0.40 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2gya h LEU 110 Cb 0.68 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2gya h LEU 110 CO -0.52 0.75 0.21 -0.33 0.09 0.00 0.00 178.44 178.63 2gya h GLU 111 N 0.43 0.54 -0.80 1.13 5.08 0.11 0.45 114.58 121.52 2gya h GLU 111 Ca 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2gya h GLU 111 Cb 0.43 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2gya h GLU 111 CO 0.02 0.41 0.37 0.93 -1.00 0.00 0.00 179.01 179.73 2gya h GLU 112 N 0.55 1.16 0.00 2.33 5.08 -0.10 0.52 114.58 124.12 2gya h GLU 112 Ca 0.14 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2gya h GLU 112 Cb 0.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2gya h GLU 112 CO -0.02 0.91 0.00 0.00 -1.00 0.00 0.00 179.01 178.89 2gya n ALA 113 N -2.41 2.02 -1.07 3.43 0.00 -0.23 -4.86 120.51 117.39 2gya n ALA 113 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2gya n ALA 113 Cb 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2gya n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gya n GLY 114 N 0.59 1.07 3.44 0.00 0.00 0.18 -4.56 105.19 105.91 2gya n GLY 114 Ca 0.07 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 2gya n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gya s ALA 115 N -2.31 3.30 -0.74 4.61 0.00 0.14 -2.71 121.76 124.05 2gya s ALA 115 Ca 0.00 -1.42 -0.26 0.00 0.00 0.00 0.00 51.96 50.28 2gya s ALA 115 Cb 0.00 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 2gya s ALA 115 CO 0.00 -0.96 1.82 -2.00 0.00 0.00 0.00 175.76 174.62 2gya s GLU 116 N 1.62 2.70 -0.05 0.00 2.12 -0.28 -3.45 118.70 121.35 2gya s GLU 116 Ca 0.04 0.16 -0.01 0.00 0.36 0.00 0.00 54.97 55.53 2gya s GLU 116 Cb -0.17 -4.63 -0.03 0.00 0.26 0.00 0.00 34.13 29.55 2gya s GLU 116 CO 0.07 -2.86 0.01 0.08 -0.54 0.00 0.00 175.26 172.02 2gya s VAL 117 N 8.90 4.33 -0.07 3.70 1.01 -1.26 -0.49 120.40 136.52 2gya s VAL 117 Ca 0.64 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.28 2gya s VAL 117 Cb -0.10 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2gya s VAL 117 CO 0.12 0.50 -0.19 -1.83 0.00 0.00 0.00 175.10 173.70 2gya s GLU 118 N -1.22 2.73 -0.42 2.72 -1.05 0.77 -4.90 118.70 117.32 2gya s GLU 118 Ca 0.17 -0.79 -0.11 0.00 -0.15 0.00 0.00 54.97 54.09 2gya s GLU 118 Cb -0.11 -2.34 0.07 0.00 -0.44 0.00 0.00 34.13 31.30 2gya s GLU 118 CO 0.06 0.42 0.28 0.08 0.95 0.00 0.00 175.26 177.06 2gya s VAL 119 N -0.23 4.52 -2.10 1.83 1.01 -1.26 -0.77 120.40 123.40 2gya s VAL 119 Ca -0.00 -1.23 0.31 0.00 0.00 0.00 0.00 61.98 61.06 2gya s VAL 119 Cb -0.13 -3.71 0.84 0.00 0.00 0.00 0.00 36.38 33.38 2gya s VAL 119 CO 0.03 -0.48 2.14 0.29 0.00 0.00 0.00 175.10 177.08