#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gln h LEU 3 N 0.00 0.56 -0.22 0.99 5.85 -2.03 -1.75 115.31 118.71 2gln h LEU 3 Ca 0.00 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2gln h LEU 3 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2gln h LEU 3 CO 0.00 0.46 0.13 0.25 -0.34 0.00 0.00 178.44 178.94 2gln h LEU 4 N 0.64 0.20 -0.55 2.25 5.85 -2.02 -0.07 115.31 121.61 2gln h LEU 4 Ca 0.16 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2gln h LEU 4 Cb 0.03 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2gln h LEU 4 CO -0.03 0.15 0.13 0.28 -0.34 0.00 0.00 178.44 178.64 2gln h SER 5 N 0.26 0.84 -0.53 1.25 0.02 -1.92 -2.69 113.55 110.78 2gln h SER 5 Ca 0.09 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2gln h SER 5 Cb -0.00 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 2gln h SER 5 CO -0.04 0.85 0.33 0.03 -1.14 0.00 0.00 176.83 176.86 2gln h ARG 6 N 0.78 0.65 -0.52 3.45 3.08 -0.79 -1.94 114.38 119.09 2gln h ARG 6 Ca 0.17 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 2gln h ARG 6 Cb 0.34 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2gln h ARG 6 CO 0.00 0.43 0.03 -0.07 -1.07 0.00 0.00 179.97 179.29 2gln h LEU 7 N 0.67 0.82 -1.49 3.04 3.38 -0.99 0.79 115.31 121.53 2gln h LEU 7 Ca 0.20 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2gln h LEU 7 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2gln h LEU 7 CO -0.07 0.87 -0.26 0.03 0.09 0.00 0.00 178.44 179.10 2gln h ARG 8 N 0.80 0.00 -0.02 1.13 3.08 -1.11 -1.64 114.38 116.62 2gln h ARG 8 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2gln h ARG 8 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2gln h ARG 8 CO 0.02 0.26 0.00 1.63 -1.07 0.00 0.00 179.97 180.81 2gln n LYS 9 N -4.15 1.31 -3.38 0.04 5.02 -0.77 -4.92 118.16 111.30 2gln n LYS 9 Ca -0.02 -0.45 -0.20 0.00 -2.02 0.00 0.00 58.31 55.62 2gln n LYS 9 Cb 0.32 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 33.93 2gln n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2gln n ARG 10 N -0.43 -6.52 -3.36 1.97 5.12 -0.62 -5.04 116.66 107.78 2gln n ARG 10 Ca 0.20 0.70 -0.35 0.00 -1.93 0.00 0.00 57.85 56.48 2gln n ARG 10 Cb 0.21 -5.33 -0.06 0.00 -1.16 0.00 0.00 32.46 26.13 2gln n ARG 10 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2gln s GLU 11 N -6.06 3.95 0.63 5.56 2.02 0.22 -5.01 118.70 120.01 2gln s GLU 11 Ca 0.48 0.46 -0.12 0.00 0.02 0.00 0.00 54.97 55.81 2gln s GLU 11 Cb -0.21 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 2gln s GLU 11 CO 0.59 0.44 1.03 -1.25 0.02 0.00 0.00 175.26 176.10 2gln s PRO 12 N -2.13 3.47 0.16 0.39 0.04 -1.26 -4.30 135.00 131.37 2gln s PRO 12 Ca 0.40 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 2gln s PRO 12 Cb -0.14 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 2gln s PRO 12 CO 0.19 -0.67 1.28 0.42 0.04 0.00 0.00 177.00 178.26 2gln s ILE 13 N -3.07 3.45 0.50 0.56 1.01 -1.26 -5.00 121.20 117.41 2gln s ILE 13 Ca 0.56 1.14 0.08 0.00 0.00 0.00 0.00 60.65 62.44 2gln s ILE 13 Cb -0.12 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.66 2gln s ILE 13 CO 0.51 0.15 0.57 -0.94 0.00 0.00 0.00 174.94 175.23 2gln s SER 14 N 0.54 5.09 0.22 3.58 1.04 -1.26 -4.98 113.70 117.92 2gln s SER 14 Ca 0.57 -0.84 -0.09 0.00 0.48 0.00 0.00 55.95 56.08 2gln s SER 14 Cb -0.34 -0.04 0.23 0.00 0.10 0.00 0.00 66.02 65.96 2gln s SER 14 CO 0.35 -1.03 1.86 0.40 0.98 0.00 0.00 173.24 175.79 2gln h ILE 15 N 0.58 1.10 -0.70 -1.02 2.04 -1.84 -1.56 117.51 116.11 2gln h ILE 15 Ca -0.36 -0.32 0.14 0.00 1.00 0.00 0.00 64.86 65.32 2gln h ILE 15 Cb 1.29 0.09 -0.13 0.00 -0.74 0.00 0.00 36.82 37.32 2gln h ILE 15 CO 0.49 0.17 -0.21 0.22 0.00 0.00 0.00 178.15 178.82 2gln h TYR 16 N 0.92 -0.49 -0.66 1.37 3.20 -1.34 -0.06 116.97 119.91 2gln h TYR 16 Ca 0.31 0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 2gln h TYR 16 Cb 0.04 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2gln h TYR 16 CO -0.04 -0.32 0.25 -0.44 -1.64 0.00 0.00 178.16 175.97 2gln h ASP 17 N -0.03 0.92 -0.40 -2.11 3.32 -1.71 0.21 116.42 116.62 2gln h ASP 17 Ca 0.32 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2gln h ASP 17 Cb 0.53 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2gln h ASP 17 CO -0.73 0.85 0.24 0.11 -1.72 0.00 0.00 179.24 177.99 2gln h LYS 18 N 0.94 0.57 -0.00 3.56 1.57 -0.05 -2.60 116.57 120.55 2gln h LYS 18 Ca 0.22 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2gln h LYS 18 Cb 0.23 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2gln h LYS 18 CO -0.02 0.41 -0.54 0.44 -0.57 0.00 0.00 179.45 179.18 2gln n ILE 19 N -4.44 0.00 0.00 1.86 -5.35 -0.63 -4.93 119.36 105.87 2gln n ILE 19 Ca 0.03 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 2gln n ILE 19 Cb 0.09 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 2gln n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gln n GLY 20 N 1.48 1.62 7.00 3.28 0.00 -0.98 -4.74 105.19 112.85 2gln n GLY 20 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2gln n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gln n GLY 21 N -0.53 -0.02 0.26 -0.02 0.00 0.71 -3.47 105.19 102.11 2gln n GLY 21 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2gln n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2gln h HIS 22 N 0.00 0.61 -0.75 1.61 2.76 -1.98 -1.91 115.15 115.49 2gln h HIS 22 Ca 0.00 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 2gln h HIS 22 Cb 0.00 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 2gln h HIS 22 CO 0.00 0.24 0.49 0.93 -1.30 0.00 0.00 177.93 178.28 2gln h GLU 23 N 0.59 0.95 -0.50 5.26 5.08 -2.00 -1.48 114.58 122.49 2gln h GLU 23 Ca 0.33 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 2gln h GLU 23 Cb 0.31 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2gln h GLU 23 CO -0.25 0.63 -0.04 0.00 -1.00 0.00 0.00 179.01 178.35 2gln h ALA 24 N 1.30 0.68 -0.68 3.43 0.00 -1.42 -3.00 119.26 119.56 2gln h ALA 24 Ca 0.29 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2gln h ALA 24 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2gln h ALA 24 CO -0.08 0.52 0.27 0.82 0.00 0.00 0.00 179.25 180.78 2gln h ILE 25 N 0.76 1.24 0.00 0.00 2.04 -1.04 -1.81 117.51 118.71 2gln h ILE 25 Ca 0.14 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2gln h ILE 25 Cb 0.57 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2gln h ILE 25 CO 0.03 0.30 -0.11 -0.33 0.00 0.00 0.00 178.15 178.05 2gln h GLU 26 N 0.97 0.00 0.07 2.37 5.08 -1.23 0.81 114.58 122.65 2gln h GLU 26 Ca 0.23 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.41 2gln h GLU 26 Cb 0.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.48 2gln h GLU 26 CO -0.02 0.11 -0.74 0.28 -1.00 0.00 0.00 179.01 177.65 2gln h VAL 27 N 0.00 1.46 -0.33 3.13 2.07 -1.36 -2.96 116.25 118.26 2gln h VAL 27 Ca -0.00 -2.30 -0.02 0.00 0.82 0.00 0.00 66.70 65.19 2gln h VAL 27 Cb 0.21 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2gln h VAL 27 CO 0.01 0.66 0.11 0.58 0.02 0.00 0.00 177.57 178.96 2gln h VAL 28 N -0.20 1.20 -0.69 2.57 2.07 -1.05 -2.04 116.25 118.11 2gln h VAL 28 Ca -0.11 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2gln h VAL 28 Cb 1.50 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 2gln h VAL 28 CO 0.14 0.22 0.34 0.58 0.02 0.00 0.00 177.57 178.87 2gln h VAL 29 N 0.38 1.23 -0.53 2.57 2.07 -0.96 0.39 116.25 121.39 2gln h VAL 29 Ca 0.11 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2gln h VAL 29 Cb 0.23 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2gln h VAL 29 CO -0.00 0.26 0.35 -0.33 0.02 0.00 0.00 177.57 177.87 2gln h GLU 30 N 0.96 0.70 -0.30 1.57 4.39 -1.37 -2.19 114.58 118.35 2gln h GLU 30 Ca 0.24 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.72 2gln h GLU 30 Cb 0.11 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2gln h GLU 30 CO -0.03 0.46 -0.50 0.22 -1.16 0.00 0.00 179.01 178.00 2gln h ASP 31 N 0.72 0.92 -0.58 1.42 3.58 -0.86 -2.65 116.42 118.97 2gln h ASP 31 Ca 0.19 -0.47 0.11 0.00 0.42 0.00 0.00 57.03 57.28 2gln h ASP 31 Cb -0.08 -0.26 -0.11 0.00 1.72 0.00 0.00 39.33 40.59 2gln h ASP 31 CO -0.04 1.26 -0.29 0.15 -2.88 0.00 0.00 179.24 177.43 2gln h PHE 32 N 0.66 -0.78 0.00 0.28 -0.00 -0.06 -2.06 116.94 114.98 2gln h PHE 32 Ca 0.03 0.07 -0.10 0.00 -0.00 0.00 0.00 57.97 57.96 2gln h PHE 32 Cb 1.10 0.43 -0.01 0.00 -0.00 0.00 0.00 35.95 37.46 2gln h PHE 32 CO 0.07 -0.36 -0.48 1.88 -0.00 0.00 0.00 178.31 179.42 2gln h TYR 33 N -0.14 0.00 -0.26 0.41 -1.99 -1.33 -0.20 116.97 113.47 2gln h TYR 33 Ca 0.25 0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.03 2gln h TYR 33 Cb 0.53 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.21 2gln h TYR 33 CO -0.60 0.48 -0.09 0.28 -0.00 0.00 0.00 178.16 178.23 2gln h VAL 34 N 0.00 0.69 -0.60 -2.88 2.07 -1.06 -0.78 116.25 113.68 2gln h VAL 34 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2gln h VAL 34 Cb 1.09 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2gln h VAL 34 CO 0.06 0.00 0.15 0.03 0.02 0.00 0.00 177.57 177.83 2gln h ARG 35 N -0.03 0.96 -0.08 1.57 3.08 -0.70 -2.35 114.38 116.83 2gln h ARG 35 Ca 0.13 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2gln h ARG 35 Cb 0.23 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2gln h ARG 35 CO -0.29 0.88 -0.01 0.28 -1.07 0.00 0.00 179.97 179.76 2gln h VAL 36 N 0.88 1.28 0.00 2.04 2.07 -0.89 -2.98 116.25 118.66 2gln h VAL 36 Ca 0.19 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 2gln h VAL 36 Cb 0.35 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2gln h VAL 36 CO 0.00 0.25 -0.12 -0.07 0.02 0.00 0.00 177.57 177.66 2gln h LEU 37 N -0.18 0.00 0.00 2.57 3.38 -1.10 -2.01 115.31 117.97 2gln h LEU 37 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2gln h LEU 37 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2gln h LEU 37 CO 0.01 0.12 -0.05 0.00 0.09 0.00 0.00 178.44 178.60 2gln n ALA 38 N -2.19 2.38 -2.56 1.53 0.00 -0.89 -4.62 120.51 114.17 2gln n ALA 38 Ca -0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 2gln n ALA 38 Cb 0.32 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 2gln n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2gln s ASP 39 N -3.90 6.49 0.58 0.00 -1.08 -0.75 -4.91 116.67 113.09 2gln s ASP 39 Ca 0.12 0.09 0.29 0.00 -0.52 0.00 0.00 52.55 52.52 2gln s ASP 39 Cb 0.15 -2.44 1.48 0.00 -1.46 0.00 0.00 42.92 40.65 2gln s ASP 39 CO 0.58 -1.01 1.92 0.44 0.52 0.00 0.00 175.17 177.62 2gln h ASP 40 N 9.03 0.00 1.19 -0.34 3.45 -1.85 0.10 116.42 128.00 2gln h ASP 40 Ca -0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.22 2gln h ASP 40 Cb 1.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 2gln h ASP 40 CO 1.01 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.68 2gln n GLN 41 N -3.85 0.18 -0.01 3.56 1.13 -1.26 -4.20 117.38 112.94 2gln n GLN 41 Ca 0.09 0.21 -0.01 0.00 -1.94 0.00 0.00 57.00 55.35 2gln n GLN 41 Cb 0.68 -1.73 -0.01 0.00 0.11 0.00 0.00 30.24 29.29 2gln n GLN 41 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2gln n LEU 42 N -2.05 1.62 -0.35 1.08 4.77 0.26 -4.86 117.00 117.47 2gln n LEU 42 Ca 0.05 -0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 2gln n LEU 42 Cb 0.36 -0.01 0.27 0.00 -2.33 0.00 0.00 43.42 41.71 2gln n LEU 42 CO 0.27 0.29 1.23 0.77 -1.33 0.00 0.00 177.39 178.62 2gln h SER 43 N 0.00 0.88 -0.21 -1.43 4.64 -1.46 -2.02 113.55 113.95 2gln h SER 43 Ca -0.02 0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 2gln h SER 43 Cb 1.05 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 2gln h SER 43 CO -0.00 0.44 0.17 0.00 -0.87 0.00 0.00 176.83 176.57 2gln h ALA 44 N 1.56 2.13 0.00 5.18 0.00 -1.87 -0.08 119.26 126.18 2gln h ALA 44 Ca 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 2gln h ALA 44 Cb 0.58 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2gln h ALA 44 CO -0.28 -0.28 -0.10 0.74 0.00 0.00 0.00 179.25 179.34 2gln h PHE 45 N 0.00 0.00 -0.65 0.00 -1.00 -1.72 -2.75 116.94 110.81 2gln h PHE 45 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 2gln h PHE 45 Cb 0.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.99 2gln h PHE 45 CO 0.00 0.10 0.00 1.19 -1.61 0.00 0.00 178.31 177.99 2gln n PHE 46 N -3.96 1.01 -2.04 -0.55 3.01 -0.05 -4.89 117.46 109.99 2gln n PHE 46 Ca -0.02 -0.53 -0.42 0.00 1.01 0.00 0.00 57.45 57.48 2gln n PHE 46 Cb 0.19 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.57 2gln n PHE 46 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2gln s SER 47 N -1.00 6.69 0.00 4.37 0.01 -1.04 -1.44 113.70 121.29 2gln s SER 47 Ca 0.46 2.29 0.00 0.00 1.31 0.00 0.00 55.95 60.01 2gln s SER 47 Cb 0.25 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2gln s SER 47 CO 0.28 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2gln n GLY 48 N 3.95 0.91 3.75 3.44 0.00 -1.26 -5.03 105.19 110.94 2gln n GLY 48 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2gln n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gln s THR 49 N -3.63 3.76 -0.77 2.61 2.01 -0.52 -4.98 115.64 114.11 2gln s THR 49 Ca 0.00 1.61 -0.26 0.00 0.31 0.00 0.00 61.69 63.35 2gln s THR 49 Cb 0.00 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.50 2gln s THR 49 CO 0.00 0.32 1.46 0.21 -0.69 0.00 0.00 174.62 175.92 2gln s ASN 50 N -0.44 5.99 0.27 3.53 3.84 -1.26 -4.89 114.94 121.98 2gln s ASN 50 Ca 0.47 -0.49 -0.01 0.00 0.21 0.00 0.00 52.86 53.05 2gln s ASN 50 Cb -0.30 -2.56 0.38 0.00 -0.55 0.00 0.00 41.25 38.23 2gln s ASN 50 CO 0.37 -1.94 1.77 0.24 -2.79 0.00 0.00 177.10 174.74 2gln h MET 51 N 11.03 0.71 -0.31 0.43 2.86 -1.93 -1.11 114.93 126.60 2gln h MET 51 Ca -0.17 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.32 2gln h MET 51 Cb 1.06 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 2gln h MET 51 CO 1.29 0.75 0.05 0.77 1.06 0.00 0.00 176.91 180.84 2gln h SER 52 N 0.66 -0.00 -0.29 1.22 0.02 -2.00 -0.26 113.55 112.90 2gln h SER 52 Ca 0.13 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2gln h SER 52 Cb 0.46 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2gln h SER 52 CO 0.02 0.03 0.01 -0.09 -1.14 0.00 0.00 176.83 175.67 2gln h ARG 53 N 0.16 0.51 -0.36 3.45 2.43 -1.89 -2.66 114.38 116.02 2gln h ARG 53 Ca 0.14 -0.15 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2gln h ARG 53 Cb 0.16 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 2gln h ARG 53 CO -0.20 0.64 0.13 1.25 -1.51 0.00 0.00 179.97 180.29 2gln h LEU 54 N 0.31 0.14 -1.17 3.80 5.85 -0.94 -2.23 115.31 121.06 2gln h LEU 54 Ca 0.08 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2gln h LEU 54 Cb 0.41 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2gln h LEU 54 CO 0.01 0.12 0.49 0.11 -0.34 0.00 0.00 178.44 178.83 2gln h LYS 55 N 0.28 1.05 -0.27 1.25 1.57 -0.97 0.93 116.57 120.42 2gln h LYS 55 Ca 0.16 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2gln h LYS 55 Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2gln h LYS 55 CO -0.17 0.72 0.18 0.78 -0.57 0.00 0.00 179.45 180.39 2gln h GLY 56 N 1.09 0.37 1.39 3.86 0.00 -1.10 -0.45 103.07 108.24 2gln h GLY 56 Ca 0.28 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 2gln h GLY 56 CO -0.06 0.13 0.04 0.50 0.00 0.00 0.00 176.54 177.16 2gln h LYS 57 N 0.36 0.76 -0.47 4.80 1.79 -0.83 -2.32 116.57 120.66 2gln h LYS 57 Ca 0.10 -0.18 -0.08 0.00 -2.18 0.00 0.00 60.65 58.31 2gln h LYS 57 Cb -0.04 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 2gln h LYS 57 CO -0.02 0.74 -0.01 0.00 -1.08 0.00 0.00 179.45 179.07 2gln h ALA 58 N 1.33 0.64 -0.33 3.86 0.00 -0.47 -0.50 119.26 123.78 2gln h ALA 58 Ca 0.15 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2gln h ALA 58 Cb 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2gln h ALA 58 CO 0.01 0.45 0.10 0.28 0.00 0.00 0.00 179.25 180.09 2gln h VAL 59 N 0.69 0.89 -0.58 0.00 2.07 -0.98 -0.86 116.25 117.49 2gln h VAL 59 Ca 0.13 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.62 2gln h VAL 59 Cb 0.52 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2gln h VAL 59 CO 0.03 0.04 0.32 -0.33 0.02 0.00 0.00 177.57 177.65 2gln h GLU 60 N 0.24 0.59 0.21 1.57 5.08 -1.25 -1.24 114.58 119.78 2gln h GLU 60 Ca 0.15 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2gln h GLU 60 Cb 0.13 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2gln h GLU 60 CO -0.16 0.39 -0.10 0.35 -1.00 0.00 0.00 179.01 178.49 2gln h PHE 61 N 0.61 -0.26 -0.58 4.33 3.57 -0.60 -2.03 116.94 121.99 2gln h PHE 61 Ca 0.25 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 2gln h PHE 61 Cb 0.13 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2gln h PHE 61 CO -0.08 -0.01 0.07 0.74 -2.23 0.00 0.00 178.31 176.80 2gln h PHE 62 N -0.48 1.04 -0.13 0.41 0.05 -1.16 -0.49 116.94 116.19 2gln h PHE 62 Ca -0.03 -0.16 0.04 0.00 3.82 0.00 0.00 57.97 61.65 2gln h PHE 62 Cb 0.36 -0.28 -0.05 0.00 2.00 0.00 0.00 35.95 37.98 2gln h PHE 62 CO -0.00 0.92 -0.17 0.00 -0.18 0.00 0.00 178.31 178.87 2gln h ALA 63 N 0.99 -0.11 -0.44 2.45 0.00 -1.22 -1.83 119.26 119.10 2gln h ALA 63 Ca 0.17 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2gln h ALA 63 Cb 0.46 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2gln h ALA 63 CO 0.02 -0.63 -0.28 0.00 0.00 0.00 0.00 179.25 178.36 2gln h ALA 64 N 0.82 0.67 0.00 0.00 0.00 -1.23 0.19 119.26 119.71 2gln h ALA 64 Ca 0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2gln h ALA 64 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2gln h ALA 64 CO -0.26 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 179.44 2gln h ALA 65 N 0.86 1.39 -0.49 0.00 0.00 -1.00 -2.18 119.26 117.84 2gln h ALA 65 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2gln h ALA 65 Cb 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2gln h ALA 65 CO 0.08 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.89 2gln n LEU 66 N -3.92 3.76 0.00 0.00 4.77 -0.70 -4.90 117.00 116.01 2gln n LEU 66 Ca -0.02 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 2gln n LEU 66 Cb 0.31 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2gln n LEU 66 CO 0.35 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 2gln n GLY 67 N 0.92 0.77 3.71 -0.72 0.00 -0.82 -0.91 105.19 108.13 2gln n GLY 67 Ca 0.20 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2gln n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gln s GLY 68 N -2.24 1.61 0.44 -0.02 0.00 0.04 -4.77 107.32 102.37 2gln s GLY 68 Ca 0.00 -0.11 0.24 0.00 0.00 0.00 0.00 44.72 44.85 2gln s GLY 68 CO 0.00 0.40 1.70 -0.56 0.00 0.00 0.00 173.10 174.64 2gln h PRO 69 N -1.62 0.00 -5.67 2.90 0.13 -1.94 -3.43 132.00 122.36 2gln h PRO 69 Ca -0.50 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.98 2gln h PRO 69 Cb 1.29 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 2gln h PRO 69 CO 0.55 0.12 -0.42 -1.21 -0.23 0.00 0.00 178.00 176.81 2gln s GLU 70 N -3.34 3.64 0.62 0.86 0.41 -1.26 -5.08 118.70 114.55 2gln s GLU 70 Ca 0.04 -0.03 -0.16 0.00 -0.41 0.00 0.00 54.97 54.41 2gln s GLU 70 Cb 0.07 -3.23 -0.02 0.00 -1.78 0.00 0.00 34.13 29.17 2gln s GLU 70 CO 0.65 0.69 1.12 -2.14 -0.49 0.00 0.00 175.26 175.09 2gln s PRO 71 N -0.84 2.97 0.06 0.39 0.02 -1.26 -4.39 135.00 131.96 2gln s PRO 71 Ca 0.16 1.47 -0.31 0.00 0.02 0.00 0.00 61.00 62.35 2gln s PRO 71 Cb -0.13 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 2gln s PRO 71 CO 0.05 -1.13 1.31 -0.47 -0.33 0.00 0.00 177.00 176.43 2gln s TYR 72 N -2.14 3.24 -1.23 6.54 5.04 -1.26 -4.94 117.35 122.61 2gln s TYR 72 Ca 0.69 1.08 0.11 0.00 -2.44 0.00 0.00 57.07 56.51 2gln s TYR 72 Cb -0.22 -3.56 0.13 0.00 0.35 0.00 0.00 41.96 38.66 2gln s TYR 72 CO 0.37 -1.90 0.93 0.25 -1.34 0.00 0.00 175.55 173.86 2gln n THR 73 N 4.12 0.23 -0.90 4.34 -2.24 -1.26 -5.03 114.28 113.55 2gln n THR 73 Ca 0.11 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2gln n THR 73 Cb 0.44 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 2gln n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gln n GLY 74 N 0.57 0.17 3.83 3.38 0.00 -1.26 -5.06 105.19 106.82 2gln n GLY 74 Ca 0.07 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 2gln n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gln s ALA 75 N -3.28 3.23 0.73 4.61 0.00 -1.26 -5.05 121.76 120.75 2gln s ALA 75 Ca 0.00 0.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 2gln s ALA 75 Cb 0.00 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.22 2gln s ALA 75 CO 0.00 0.25 1.15 -1.25 0.00 0.00 0.00 175.76 175.91 2gln s PRO 76 N -2.83 2.27 0.18 0.00 0.04 -1.26 -4.85 135.00 128.55 2gln s PRO 76 Ca 0.55 1.51 -0.10 0.00 0.04 0.00 0.00 61.00 63.00 2gln s PRO 76 Cb -0.11 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.64 2gln s PRO 76 CO 0.17 -1.69 1.70 0.52 0.04 0.00 0.00 177.00 177.74 2gln h MET 77 N -0.48 1.02 0.03 4.56 2.86 -1.96 -2.46 114.93 118.50 2gln h MET 77 Ca -0.46 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 56.94 2gln h MET 77 Cb 1.26 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2gln h MET 77 CO 0.51 0.92 -0.02 -0.22 1.06 0.00 0.00 176.91 179.16 2gln h LYS 78 N 0.95 -0.04 -0.34 1.72 3.64 -1.93 -2.74 116.57 117.82 2gln h LYS 78 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2gln h LYS 78 Cb 0.35 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2gln h LYS 78 CO 0.00 0.15 0.19 0.37 -2.27 0.00 0.00 179.45 177.89 2gln h GLN 79 N -0.24 0.47 -0.06 1.90 4.15 -1.83 -2.01 115.11 117.49 2gln h GLN 79 Ca -0.00 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 2gln h GLN 79 Cb 0.22 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2gln h GLN 79 CO 0.01 0.39 -0.43 -0.24 -1.93 0.00 0.00 178.83 176.62 2gln h VAL 80 N 0.42 1.32 -0.00 2.39 3.04 -1.44 -2.92 116.25 119.06 2gln h VAL 80 Ca 0.12 -1.55 0.00 0.00 -1.01 0.00 0.00 66.70 64.26 2gln h VAL 80 Cb 0.05 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2gln h VAL 80 CO -0.02 0.45 -0.54 1.41 -1.01 0.00 0.00 177.57 177.86 2gln n HIS 81 N -4.01 0.00 -1.94 3.17 8.25 -1.04 -4.95 115.22 114.70 2gln n HIS 81 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 2gln n HIS 81 Cb 0.48 -0.18 0.01 0.00 1.12 0.00 0.00 29.99 31.43 2gln n HIS 81 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2gln s GLN 82 N -2.90 3.61 -0.17 -0.41 -0.21 -0.76 -3.06 119.66 115.76 2gln s GLN 82 Ca 0.13 2.18 0.00 0.00 0.02 0.00 0.00 55.36 57.69 2gln s GLN 82 Cb 0.18 -2.52 0.00 0.00 1.00 0.00 0.00 33.01 31.67 2gln s GLN 82 CO 0.69 -0.80 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 2gln n GLY 83 N 0.63 0.52 0.29 3.09 0.00 -1.26 -4.90 105.19 103.56 2gln n GLY 83 Ca 0.07 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.78 2gln n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gln n ARG 84 N -2.51 1.72 -2.24 1.61 1.74 -1.17 -5.01 116.66 110.80 2gln n ARG 84 Ca -0.02 -0.75 -0.19 0.00 -0.77 0.00 0.00 57.85 56.13 2gln n ARG 84 Cb 0.11 -1.13 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 2gln n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gln n GLY 85 N 0.86 -0.08 3.71 -0.13 0.00 -1.26 -4.93 105.19 103.37 2gln n GLY 85 Ca 0.05 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2gln n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gln s ILE 86 N -2.91 3.09 0.40 -0.61 1.01 -1.26 -4.60 121.20 116.32 2gln s ILE 86 Ca 0.00 0.78 0.06 0.00 0.00 0.00 0.00 60.65 61.49 2gln s ILE 86 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2gln s ILE 86 CO 0.00 0.06 0.56 0.42 0.00 0.00 0.00 174.94 175.98 2gln s THR 87 N 1.18 3.47 0.54 2.92 -4.23 -1.26 -0.01 115.64 118.26 2gln s THR 87 Ca 0.66 -0.92 0.20 0.00 -1.18 0.00 0.00 61.69 60.45 2gln s THR 87 Cb -0.39 -3.20 0.29 0.00 1.34 0.00 0.00 72.50 70.55 2gln s THR 87 CO 0.30 -0.09 2.18 0.24 -0.54 0.00 0.00 174.62 176.72 2gln h MET 88 N 0.66 0.00 -0.03 3.99 2.86 -0.80 -1.32 114.93 120.30 2gln h MET 88 Ca -0.43 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2gln h MET 88 Cb 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 2gln h MET 88 CO 0.50 0.00 0.01 1.25 1.06 0.00 0.00 176.91 179.73 2gln h HIS 89 N 0.00 0.04 -0.36 -0.22 -0.00 -1.41 -1.62 115.15 111.58 2gln h HIS 89 Ca -0.00 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 2gln h HIS 89 Cb 0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.37 2gln h HIS 89 CO 0.00 0.18 0.12 0.45 -0.00 0.00 0.00 177.93 178.68 2gln h HIS 90 N -0.11 0.21 -0.73 5.26 -0.00 -1.65 -1.37 115.15 116.75 2gln h HIS 90 Ca 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2gln h HIS 90 Cb 0.16 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.49 2gln h HIS 90 CO -0.02 0.08 0.45 0.35 -0.00 0.00 0.00 177.93 178.78 2gln h PHE 91 N 0.26 0.96 -0.67 2.45 3.57 -1.25 -0.89 116.94 121.38 2gln h PHE 91 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2gln h PHE 91 Cb 0.15 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 2gln h PHE 91 CO -0.15 0.64 0.37 0.77 -2.23 0.00 0.00 178.31 177.72 2gln h SER 92 N 1.00 0.83 -0.35 0.41 0.02 -0.93 0.02 113.55 114.55 2gln h SER 92 Ca 0.26 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2gln h SER 92 Cb -0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 2gln h SER 92 CO -0.05 0.67 0.23 -0.07 -1.14 0.00 0.00 176.83 176.47 2gln h LEU 93 N 0.91 0.40 -0.45 5.07 3.38 -0.62 -0.53 115.31 123.47 2gln h LEU 93 Ca 0.24 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2gln h LEU 93 Cb 0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2gln h LEU 93 CO -0.04 0.29 0.21 0.58 0.09 0.00 0.00 178.44 179.58 2gln h VAL 94 N 0.47 1.18 -0.65 1.22 2.07 -0.84 -0.83 116.25 118.88 2gln h VAL 94 Ca 0.13 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2gln h VAL 94 Cb -0.05 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2gln h VAL 94 CO -0.03 0.20 0.41 0.00 0.02 0.00 0.00 177.57 178.18 2gln h ALA 95 N 1.06 0.83 -0.26 1.67 0.00 -0.81 0.11 119.26 121.86 2gln h ALA 95 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2gln h ALA 95 Cb 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2gln h ALA 95 CO -0.02 0.20 0.10 0.78 0.00 0.00 0.00 179.25 180.31 2gln h GLY 96 N 0.83 0.33 1.09 0.00 0.00 -0.84 -0.82 103.07 103.65 2gln h GLY 96 Ca 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2gln h GLY 96 CO -0.08 0.05 0.53 0.45 0.00 0.00 0.00 176.54 177.48 2gln h HIS 97 N 0.23 1.17 -0.57 5.60 3.86 -0.70 0.24 115.15 124.98 2gln h HIS 97 Ca 0.11 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2gln h HIS 97 Cb 0.06 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.13 2gln h HIS 97 CO -0.12 0.78 0.21 1.25 0.86 0.00 0.00 177.93 180.92 2gln h LEU 98 N 1.22 0.81 -0.98 2.43 5.85 -0.59 -1.62 115.31 122.42 2gln h LEU 98 Ca 0.32 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2gln h LEU 98 Cb -0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2gln h LEU 98 CO -0.06 0.77 -0.01 0.00 -0.34 0.00 0.00 178.44 178.80 2gln h ALA 99 N 1.07 1.16 -0.18 1.25 0.00 -0.48 -1.23 119.26 120.84 2gln h ALA 99 Ca 0.19 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2gln h ALA 99 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2gln h ALA 99 CO -0.01 0.54 -0.52 -0.44 0.00 0.00 0.00 179.25 178.83 2gln h ASP 100 N 0.67 0.56 -0.51 0.00 3.32 -0.80 0.18 116.42 119.85 2gln h ASP 100 Ca 0.13 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 2gln h ASP 100 Cb 0.44 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2gln h ASP 100 CO 0.02 0.97 0.03 0.00 -1.72 0.00 0.00 179.24 178.54 2gln h ALA 101 N 1.04 0.68 -0.67 3.45 0.00 -0.99 0.12 119.26 122.88 2gln h ALA 101 Ca 0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2gln h ALA 101 Cb 1.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2gln h ALA 101 CO 0.09 0.47 0.10 -0.07 0.00 0.00 0.00 179.25 179.84 2gln h LEU 102 N 0.74 1.07 -0.29 0.00 3.38 -0.99 -0.84 115.31 118.38 2gln h LEU 102 Ca 0.15 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2gln h LEU 102 Cb 0.48 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2gln h LEU 102 CO 0.02 1.06 0.17 0.74 0.09 0.00 0.00 178.44 180.53 2gln h THR 103 N 1.04 1.04 -0.33 0.22 2.02 -0.38 -1.61 112.91 114.91 2gln h THR 103 Ca 0.20 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 2gln h THR 103 Cb 0.45 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2gln h THR 103 CO 0.01 0.07 0.03 0.00 0.37 0.00 0.00 175.52 176.00 2gln h ALA 104 N 1.12 1.43 0.00 6.16 0.00 -0.45 -0.80 119.26 126.72 2gln h ALA 104 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2gln h ALA 104 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2gln h ALA 104 CO -0.05 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.61 2gln n ALA 105 N -2.48 2.09 -0.83 0.00 0.00 -0.35 -4.91 120.51 114.03 2gln n ALA 105 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2gln n ALA 105 Cb 0.22 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2gln n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gln n GLY 106 N 0.59 0.63 3.72 0.00 0.00 -0.31 -5.04 105.19 104.79 2gln n GLY 106 Ca 0.09 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 2gln n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gln s VAL 107 N -2.00 4.38 0.47 1.61 1.01 -0.64 -4.98 120.40 120.24 2gln s VAL 107 Ca 0.00 1.77 -0.24 0.00 0.00 0.00 0.00 61.98 63.51 2gln s VAL 107 Cb 0.00 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 2gln s VAL 107 CO 0.00 0.17 1.19 -2.65 0.00 0.00 0.00 175.10 173.81 2gln n PRO 108 N 3.61 1.62 -0.27 2.72 -0.02 -1.26 -4.62 135.00 136.79 2gln n PRO 108 Ca 0.06 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.17 2gln n PRO 108 Cb 0.48 -2.31 0.14 0.00 -0.02 0.00 0.00 33.50 31.79 2gln n PRO 108 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2gln h SER 109 N 1.63 -0.50 -0.59 2.55 0.02 -1.98 -0.40 113.55 114.28 2gln h SER 109 Ca -0.48 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2gln h SER 109 Cb 1.32 0.41 -0.03 0.00 0.14 0.00 0.00 62.40 64.23 2gln h SER 109 CO 0.57 -0.22 0.29 -0.08 -1.14 0.00 0.00 176.83 176.26 2gln h GLU 110 N 0.06 0.87 -0.01 3.45 4.81 -1.99 -0.21 114.58 121.55 2gln h GLU 110 Ca 0.41 -0.11 -0.22 0.00 -0.13 0.00 0.00 59.36 59.31 2gln h GLU 110 Cb 0.70 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2gln h GLU 110 CO -0.73 0.67 -0.91 1.15 -0.73 0.00 0.00 179.01 178.46 2gln h THR 111 N 0.87 1.41 -0.61 0.32 2.02 -1.47 -1.63 112.91 113.81 2gln h THR 111 Ca 0.21 -2.43 -0.01 0.00 0.77 0.00 0.00 66.41 64.96 2gln h THR 111 Cb 0.09 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 2gln h THR 111 CO -0.03 0.72 0.35 0.40 0.37 0.00 0.00 175.52 177.33 2gln h ILE 112 N 0.23 1.19 -0.91 3.11 2.04 -0.84 0.17 117.51 122.49 2gln h ILE 112 Ca -0.07 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.35 2gln h ILE 112 Cb 1.54 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 2gln h ILE 112 CO 0.16 0.20 0.60 0.74 0.00 0.00 0.00 178.15 179.85 2gln h THR 113 N 0.83 1.21 -0.61 -0.27 2.02 -0.94 0.59 112.91 115.74 2gln h THR 113 Ca 0.22 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 2gln h THR 113 Cb 0.02 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.30 2gln h THR 113 CO -0.04 0.22 0.22 -0.08 0.37 0.00 0.00 175.52 176.22 2gln h GLU 114 N 1.21 0.93 -0.62 6.66 4.81 -0.86 -1.47 114.58 125.24 2gln h GLU 114 Ca 0.34 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2gln h GLU 114 Cb -0.10 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 2gln h GLU 114 CO -0.09 0.80 0.33 0.82 -0.73 0.00 0.00 179.01 180.15 2gln h ILE 115 N 0.86 1.20 -0.64 2.32 2.04 -0.49 -2.73 117.51 120.07 2gln h ILE 115 Ca 0.20 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.57 2gln h ILE 115 Cb 0.24 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2gln h ILE 115 CO -0.01 0.22 0.42 -0.07 0.00 0.00 0.00 178.15 178.71 2gln h LEU 116 N 0.84 0.70 -1.53 1.44 3.38 -0.55 -0.36 115.31 119.23 2gln h LEU 116 Ca 0.22 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.25 2gln h LEU 116 Cb 0.05 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2gln h LEU 116 CO -0.03 0.50 0.42 1.23 0.09 0.00 0.00 178.44 180.64 2gln h GLY 117 N 0.82 0.73 1.25 0.83 0.00 -0.97 0.19 103.07 105.92 2gln h GLY 117 Ca 0.24 -0.22 -0.26 0.00 0.00 0.00 0.00 47.33 47.09 2gln h GLY 117 CO -0.06 0.15 -0.99 -2.08 0.00 0.00 0.00 176.54 173.56 2gln h VAL 118 N 0.55 1.29 0.21 4.60 2.07 -0.95 -3.39 116.25 120.63 2gln h VAL 118 Ca 0.28 -2.23 -0.29 0.00 0.82 0.00 0.00 66.70 65.28 2gln h VAL 118 Cb 0.39 2.32 0.03 0.00 -1.52 0.00 0.00 31.29 32.52 2gln h VAL 118 CO -0.09 0.69 -1.27 0.40 0.02 0.00 0.00 177.57 177.32 2gln h ILE 119 N 0.40 1.35 -0.67 4.57 1.08 -0.78 -3.37 117.51 120.09 2gln h ILE 119 Ca -0.11 -2.63 0.10 0.00 -0.39 0.00 0.00 64.86 61.83 2gln h ILE 119 Cb 1.64 3.05 -0.08 0.00 -3.07 0.00 0.00 36.82 38.37 2gln h ILE 119 CO 0.19 0.78 0.28 0.00 -0.69 0.00 0.00 178.15 178.71 2gln h ALA 120 N 0.15 0.89 -0.09 1.87 0.00 -0.83 -0.46 119.26 120.79 2gln h ALA 120 Ca -0.22 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2gln h ALA 120 Cb 2.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 2gln h ALA 120 CO 0.24 -0.15 0.19 -1.35 0.00 0.00 0.00 179.25 178.18 2gln h PRO 121 N 0.47 0.00 0.00 0.00 0.11 -1.77 -1.28 132.00 129.53 2gln h PRO 121 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 2gln h PRO 121 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2gln h PRO 121 CO -0.31 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.41 2gln h LEU 122 N 0.00 0.00 -1.50 2.35 3.38 -1.27 -3.12 115.31 115.14 2gln h LEU 122 Ca 0.04 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.14 2gln h LEU 122 Cb 0.41 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2gln h LEU 122 CO -0.00 0.00 0.50 0.00 0.09 0.00 0.00 178.44 179.03 2gln h ALA 123 N 2.09 1.99 -0.30 1.53 0.00 -1.36 -0.85 119.26 122.35 2gln h ALA 123 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2gln h ALA 123 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2gln h ALA 123 CO 0.00 -0.18 -0.14 -0.24 0.00 0.00 0.00 179.25 178.68 2gln h VAL 124 N 0.51 1.24 -0.00 0.00 3.04 -1.79 -0.75 116.25 118.50 2gln h VAL 124 Ca 0.37 -1.08 -0.26 0.00 -1.01 0.00 0.00 66.70 64.71 2gln h VAL 124 Cb 0.71 1.17 0.02 0.00 -2.01 0.00 0.00 31.29 31.18 2gln h VAL 124 CO -0.13 0.35 -1.01 0.44 -1.01 0.00 0.00 177.57 176.21 2gln h ASP 125 N 0.49 0.90 0.12 3.17 3.32 -1.42 -3.39 116.42 119.60 2gln h ASP 125 Ca 0.09 -0.74 -0.20 0.00 0.02 0.00 0.00 57.03 56.20 2gln h ASP 125 Cb 0.54 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.82 2gln h ASP 125 CO 0.03 1.52 -0.93 0.58 -1.72 0.00 0.00 179.24 178.72 2gln h VAL 126 N 0.37 1.39 -3.71 -1.35 2.07 -1.15 -3.33 116.25 110.53 2gln h VAL 126 Ca -0.13 -2.48 -0.49 0.00 0.82 0.00 0.00 66.70 64.42 2gln h VAL 126 Cb 1.67 3.06 -0.02 0.00 -1.52 0.00 0.00 31.29 34.48 2gln h VAL 126 CO 0.20 0.69 0.09 0.42 0.02 0.00 0.00 177.57 179.00 2gln s THR 127 N -2.43 4.70 -0.05 2.57 -4.23 -0.30 -4.69 115.64 111.22 2gln s THR 127 Ca -0.16 0.88 0.09 0.00 -1.18 0.00 0.00 61.69 61.32 2gln s THR 127 Cb 0.02 -3.63 -0.13 0.00 1.34 0.00 0.00 72.50 70.10 2gln s THR 127 CO 0.80 -0.23 0.12 -1.20 -0.54 0.00 0.00 174.62 173.57 2gln n SER 128 N -0.49 2.81 -4.27 3.99 7.64 0.99 -4.88 113.62 119.40 2gln n SER 128 Ca 0.03 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.63 2gln n SER 128 Cb 0.53 1.07 -0.15 0.00 -1.01 0.00 0.00 64.21 64.65 2gln n SER 128 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gln s GLY 129 N -3.61 1.16 0.13 0.23 0.00 -0.80 -4.97 107.32 99.47 2gln s GLY 129 Ca -0.04 -1.05 0.26 0.00 0.00 0.00 0.00 44.72 43.89 2gln s GLY 129 CO 0.38 -0.92 1.65 -1.84 0.00 0.00 0.00 173.10 172.38 2gln n GLU 130 N 2.21 0.21 -1.69 2.90 0.00 -1.26 -1.10 120.64 121.90 2gln n GLU 130 Ca -0.16 0.13 -0.43 0.00 0.00 0.00 0.00 57.16 56.70 2gln n GLU 130 Cb 0.52 -1.70 -0.01 0.00 0.00 0.00 0.00 31.44 30.26 2gln n GLU 130 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2gln n SER 131 N -2.04 2.75 -0.30 -1.84 2.88 -1.26 -4.45 113.62 109.36 2gln n SER 131 Ca 0.05 1.20 0.03 0.00 -1.33 0.00 0.00 58.87 58.81 2gln n SER 131 Cb 0.41 -1.47 0.07 0.00 -0.75 0.00 0.00 64.21 62.46 2gln n SER 131 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2gln n THR 132 N 0.64 0.82 -0.58 2.46 -2.24 -1.26 -1.17 114.28 112.95 2gln n THR 132 Ca 0.06 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2gln n THR 132 Cb 0.35 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2gln n THR 132 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85