#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtg n VAL 3 N 0.00 0.00 0.22 5.18 0.24 -1.26 -4.78 118.33 117.93 2gtg n VAL 3 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.41 2gtg n VAL 3 Cb 0.00 0.00 0.38 0.00 -1.47 0.00 0.00 33.84 32.75 2gtg n VAL 3 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 2gtg h TYR 4 N 0.00 0.00 -0.12 6.34 0.05 -1.98 -2.96 116.97 118.31 2gtg h TYR 4 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2gtg h TYR 4 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 2gtg h TYR 4 CO 0.00 0.17 -0.02 0.00 -1.05 0.00 0.00 178.16 177.27 2gtg h GLU 6 N -0.07 0.88 -0.28 0.00 4.81 -1.83 0.56 114.58 118.64 2gtg h GLU 6 Ca 0.03 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2gtg h GLU 6 Cb 0.42 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2gtg h GLU 6 CO 0.01 0.58 -0.28 0.28 -0.73 0.00 0.00 179.01 178.87 2gtg h VAL 7 N 0.90 1.28 -0.32 0.32 2.07 -1.62 -1.16 116.25 117.73 2gtg h VAL 7 Ca 0.25 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 2gtg h VAL 7 Cb -0.09 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2gtg h VAL 7 CO -0.06 0.43 -0.02 0.00 0.02 0.00 0.00 177.57 177.95 2gtg h GLU 9 N 0.36 0.68 -0.14 0.00 4.39 -0.86 -1.66 114.58 117.34 2gtg h GLU 9 Ca 0.09 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.76 2gtg h GLU 9 Cb 0.47 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 2gtg h GLU 9 CO 0.02 0.51 -0.42 0.35 -1.16 0.00 0.00 179.01 178.32 2gtg h PHE 10 N 0.66 -1.19 -0.89 4.33 3.57 -1.09 -2.52 116.94 119.80 2gtg h PHE 10 Ca 0.17 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 2gtg h PHE 10 Cb 0.02 0.54 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 2gtg h PHE 10 CO -0.02 -0.47 0.49 -0.07 -2.23 0.00 0.00 178.31 176.01 2gtg h LEU 11 N -0.48 1.11 -0.05 0.59 3.38 -1.03 -2.47 115.31 116.35 2gtg h LEU 11 Ca 0.08 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2gtg h LEU 11 Cb 0.62 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2gtg h LEU 11 CO -0.40 0.89 -0.00 0.58 0.09 0.00 0.00 178.44 179.59 2gtg h VAL 12 N 1.24 0.96 -0.58 1.22 2.07 -1.14 -0.49 116.25 119.54 2gtg h VAL 12 Ca 0.31 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.84 2gtg h VAL 12 Cb 0.02 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2gtg h VAL 12 CO -0.05 0.00 0.38 0.11 0.02 0.00 0.00 177.57 178.03 2gtg h LYS 13 N 0.01 0.76 -0.19 1.57 1.57 -1.23 -1.02 116.57 118.04 2gtg h LYS 13 Ca 0.02 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 2gtg h LYS 13 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2gtg h LYS 13 CO -0.04 0.51 -0.41 0.93 -0.57 0.00 0.00 179.45 179.87 2gtg h GLU 14 N 0.78 0.45 -0.12 3.15 4.39 -0.96 -0.38 114.58 121.89 2gtg h GLU 14 Ca 0.21 -0.22 -0.22 0.00 0.34 0.00 0.00 59.36 59.47 2gtg h GLU 14 Cb -0.09 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2gtg h GLU 14 CO -0.05 0.78 -0.81 0.28 -1.16 0.00 0.00 179.01 178.06 2gtg h VAL 15 N 0.37 1.30 0.00 3.13 2.07 -0.82 -2.31 116.25 119.99 2gtg h VAL 15 Ca 0.03 -2.04 -0.05 0.00 0.82 0.00 0.00 66.70 65.46 2gtg h VAL 15 Cb 0.87 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2gtg h VAL 15 CO 0.07 0.64 -0.22 0.00 0.02 0.00 0.00 177.57 178.08 2gtg h THR 16 N 0.48 0.77 -0.28 2.57 1.03 -0.82 0.40 112.91 117.05 2gtg h THR 16 Ca -0.06 -0.92 -0.02 0.00 -0.01 0.00 0.00 66.41 65.40 2gtg h THR 16 Cb 1.43 1.56 -0.01 0.00 -1.07 0.00 0.00 68.15 70.06 2gtg h THR 16 CO 0.16 0.22 0.09 0.50 -0.01 0.00 0.00 175.52 176.48 2gtg h LYS 17 N 0.00 0.44 0.00 0.00 3.11 -0.96 -0.54 116.57 118.62 2gtg h LYS 17 Ca -0.00 -0.10 -0.08 0.00 -2.81 0.00 0.00 60.65 57.66 2gtg h LYS 17 Cb 0.55 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 2gtg h LYS 17 CO 0.03 0.50 -0.37 -0.07 -2.81 0.00 0.00 179.45 176.72 2gtg h LEU 18 N 0.29 0.00 -0.16 5.20 3.38 -0.78 -0.57 115.31 122.67 2gtg h LEU 18 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2gtg h LEU 18 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2gtg h LEU 18 CO -0.00 0.37 -0.10 0.40 0.09 0.00 0.00 178.44 179.20 2gtg h ILE 19 N 0.00 1.32 0.00 1.22 2.04 -0.85 -1.81 117.51 119.43 2gtg h ILE 19 Ca -0.00 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2gtg h ILE 19 Cb 0.69 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2gtg h ILE 19 CO 0.05 0.35 0.00 0.47 0.00 0.00 0.00 178.15 179.02 2gtg n ASP 20 N -4.60 0.50 -1.38 1.72 8.00 -0.22 -1.97 116.55 118.60 2gtg n ASP 20 Ca -0.06 0.64 0.08 0.00 0.71 0.00 0.00 54.79 56.16 2gtg n ASP 20 Cb 0.32 -0.74 0.33 0.00 -0.02 0.00 0.00 41.12 41.01 2gtg n ASP 20 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2gtg n ASN 21 N -2.07 4.71 -1.07 -2.24 4.13 -0.28 -4.98 115.26 113.45 2gtg n ASN 21 Ca 0.02 -2.84 -0.11 0.00 1.68 0.00 0.00 54.58 53.33 2gtg n ASN 21 Cb 0.18 -0.59 -0.03 0.00 -1.54 0.00 0.00 39.78 37.81 2gtg n ASN 21 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2gtg n ASN 22 N 0.25 -4.01 -4.74 6.41 3.02 -0.83 -5.00 115.26 110.35 2gtg n ASN 22 Ca 0.24 0.14 -0.41 0.00 -0.03 0.00 0.00 54.58 54.51 2gtg n ASN 22 Cb 0.99 -2.87 -0.03 0.00 -0.61 0.00 0.00 39.78 37.26 2gtg n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2gtg s LYS 23 N -3.75 4.42 1.05 3.52 -0.14 -0.70 -5.02 119.74 119.13 2gtg s LYS 23 Ca 0.00 2.01 -0.12 0.00 -1.36 0.00 0.00 55.97 56.50 2gtg s LYS 23 Cb 0.00 -3.19 0.22 0.00 -1.68 0.00 0.00 37.83 33.18 2gtg s LYS 23 CO 0.00 -0.18 1.07 0.95 -0.76 0.00 0.00 175.35 176.43 2gtg s THR 24 N -0.13 2.15 0.15 2.17 -4.23 -1.26 -4.77 115.64 109.72 2gtg s THR 24 Ca 0.54 0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.98 2gtg s THR 24 Cb -0.36 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.23 2gtg s THR 24 CO 0.39 -0.06 1.60 -0.08 -0.54 0.00 0.00 174.62 175.93 2gtg h GLU 25 N -2.20 0.84 -0.37 3.99 4.81 -1.99 -2.88 114.58 116.77 2gtg h GLU 25 Ca -0.56 -0.26 0.08 0.00 -0.13 0.00 0.00 59.36 58.49 2gtg h GLU 25 Cb 1.32 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 2gtg h GLU 25 CO 0.51 0.88 -0.19 -0.22 -0.73 0.00 0.00 179.01 179.27 2gtg h LYS 26 N 0.70 -0.12 -0.10 1.92 1.63 -2.00 -0.99 116.57 117.62 2gtg h LYS 26 Ca 0.14 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.98 2gtg h LYS 26 Cb 0.49 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2gtg h LYS 26 CO 0.02 -0.08 0.09 0.93 -3.45 0.00 0.00 179.45 176.96 2gtg h GLU 27 N -0.13 0.00 0.10 1.90 5.08 -1.89 -2.15 114.58 117.49 2gtg h GLU 27 Ca 0.19 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.28 2gtg h GLU 27 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2gtg h GLU 27 CO -0.45 0.00 -1.40 0.82 -1.00 0.00 0.00 179.01 176.98 2gtg h ILE 28 N 0.00 1.00 -0.73 3.13 2.04 -1.17 -1.75 117.51 120.03 2gtg h ILE 28 Ca 0.05 -2.36 0.16 0.00 1.00 0.00 0.00 64.86 63.71 2gtg h ILE 28 Cb 0.22 2.65 -0.12 0.00 -0.74 0.00 0.00 36.82 38.83 2gtg h ILE 28 CO -0.00 0.67 0.04 -0.07 0.00 0.00 0.00 178.15 178.79 2gtg h LEU 29 N -0.38 -0.27 -1.03 1.44 3.38 -1.08 -1.14 115.31 116.24 2gtg h LEU 29 Ca -0.31 0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2gtg h LEU 29 Cb 1.70 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 2gtg h LEU 29 CO 0.02 -0.14 -0.48 0.44 0.09 0.00 0.00 178.44 178.37 2gtg h ASP 30 N 0.13 0.02 0.70 -0.43 3.32 -1.44 -2.86 116.42 115.86 2gtg h ASP 30 Ca 0.40 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2gtg h ASP 30 Cb 0.69 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2gtg h ASP 30 CO -0.61 0.49 0.00 0.00 -1.72 0.00 0.00 179.24 177.40 2gtg n ALA 31 N -2.45 2.03 -0.27 3.45 0.00 -0.49 -3.36 120.51 119.41 2gtg n ALA 31 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.35 2gtg n ALA 31 Cb 0.50 -1.36 0.14 0.00 0.00 0.00 0.00 19.45 18.73 2gtg n ALA 31 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2gtg h PHE 32 N 0.00 0.81 -0.93 0.00 0.04 -1.15 -2.80 116.94 112.91 2gtg h PHE 32 Ca 0.00 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.85 2gtg h PHE 32 Cb 0.35 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 38.19 2gtg h PHE 32 CO 0.00 0.36 0.61 0.38 -0.60 0.00 0.00 178.31 179.06 2gtg h ASP 33 N 0.78 0.97 0.77 2.17 2.03 -1.77 -2.29 116.42 119.08 2gtg h ASP 33 Ca 0.36 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 2gtg h ASP 33 Cb 0.27 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 2gtg h ASP 33 CO -0.21 0.65 -0.24 1.17 -1.03 0.00 0.00 179.24 179.57 2gtg n LYS 34 N -4.47 0.00 -0.04 4.15 4.81 -1.18 -4.14 118.16 117.30 2gtg n LYS 34 Ca 0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.42 2gtg n LYS 34 Cb 0.15 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.61 2gtg n LYS 34 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2gtg h MET 35 N 0.00 0.50 0.00 1.64 2.86 -1.14 -2.90 114.93 115.89 2gtg h MET 35 Ca 0.00 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 2gtg h MET 35 Cb 0.50 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2gtg h MET 35 CO 0.00 0.99 0.00 0.00 1.06 0.00 0.00 176.91 178.96 2gtg h SER 37 N 0.00 0.39 -1.19 0.00 0.02 -1.71 -3.12 113.55 107.93 2gtg h SER 37 Ca 0.00 -0.26 0.34 0.00 -0.84 0.00 0.00 61.79 61.03 2gtg h SER 37 Cb 0.19 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 2gtg h SER 37 CO 0.00 0.99 0.85 0.11 -1.14 0.00 0.00 176.83 177.64 2gtg h LYS 38 N 0.22 0.02 -6.11 3.45 1.79 -1.39 -3.43 116.57 111.11 2gtg h LYS 38 Ca -0.03 -0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.90 2gtg h LYS 38 Cb 1.30 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.91 2gtg h LYS 38 CO 0.12 0.01 -0.49 -0.51 -1.08 0.00 0.00 179.45 177.50 2gtg s LEU 39 N -8.42 4.16 0.88 2.94 1.43 -1.18 -5.10 118.68 113.38 2gtg s LEU 39 Ca -0.05 0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 2gtg s LEU 39 Cb 0.23 -2.74 0.12 0.00 0.03 0.00 0.00 46.19 43.84 2gtg s LEU 39 CO 0.81 0.04 1.12 -2.16 0.23 0.00 0.00 176.35 176.39 2gtg s PRO 40 N -3.30 1.32 0.49 1.29 0.04 -1.26 -4.73 135.00 128.85 2gtg s PRO 40 Ca 0.33 1.37 0.17 0.00 0.04 0.00 0.00 61.00 62.90 2gtg s PRO 40 Cb -0.10 -1.78 1.17 0.00 0.04 0.00 0.00 34.50 33.83 2gtg s PRO 40 CO 0.27 -2.36 2.07 0.87 0.04 0.00 0.00 177.00 177.88 2gtg h LYS 41 N -1.67 0.00 -0.82 4.56 1.57 -1.97 -1.95 116.57 116.30 2gtg h LYS 41 Ca -0.44 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.51 2gtg h LYS 41 Cb 1.26 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.46 2gtg h LYS 41 CO 0.46 0.11 0.33 0.77 -0.57 0.00 0.00 179.45 180.54 2gtg h SER 42 N 0.00 0.27 0.34 0.86 0.02 -2.02 -2.97 113.55 110.05 2gtg h SER 42 Ca -0.00 0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 60.92 2gtg h SER 42 Cb 0.19 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2gtg h SER 42 CO 0.01 0.05 -1.81 0.18 -1.14 0.00 0.00 176.83 174.12 2gtg n LEU 43 N -5.04 0.39 -0.23 5.07 4.77 -0.77 -4.58 117.00 116.62 2gtg n LEU 43 Ca 0.18 0.17 0.03 0.00 -0.03 0.00 0.00 56.01 56.35 2gtg n LEU 43 Cb 0.52 0.16 0.15 0.00 -2.33 0.00 0.00 43.42 41.92 2gtg n LEU 43 CO 0.15 0.18 0.95 0.28 -1.33 0.00 0.00 177.39 177.62 2gtg h SER 44 N 0.00 0.09 -0.25 -1.43 0.02 -1.29 0.11 113.55 110.80 2gtg h SER 44 Ca -0.21 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2gtg h SER 44 Cb 1.56 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 64.23 2gtg h SER 44 CO 0.03 0.03 0.09 -0.08 -1.14 0.00 0.00 176.83 175.76 2gtg h GLU 45 N 0.32 0.38 -0.70 3.45 4.81 -1.81 0.14 114.58 121.17 2gtg h GLU 45 Ca 0.36 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2gtg h GLU 45 Cb 0.56 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 2gtg h GLU 45 CO -0.42 0.44 0.19 0.93 -0.73 0.00 0.00 179.01 179.42 2gtg h GLU 46 N 0.25 1.10 -0.46 1.92 3.07 -1.71 -1.44 114.58 117.31 2gtg h GLU 46 Ca 0.08 -0.24 0.03 0.00 -0.50 0.00 0.00 59.36 58.73 2gtg h GLU 46 Cb 0.21 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 2gtg h GLU 46 CO -0.00 0.95 0.25 0.00 -1.40 0.00 0.00 179.01 178.81 2gtg h GLN 48 N 0.50 0.00 -0.34 0.00 5.75 -0.27 -0.16 115.11 120.59 2gtg h GLN 48 Ca 0.19 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.63 2gtg h GLN 48 Cb 0.07 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2gtg h GLN 48 CO -0.12 0.08 -0.05 1.49 -2.65 0.00 0.00 178.83 177.58 2gtg h GLU 49 N 0.00 0.63 -0.15 1.69 4.81 -0.27 -2.15 114.58 119.13 2gtg h GLU 49 Ca -0.00 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 2gtg h GLU 49 Cb 0.74 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2gtg h GLU 49 CO 0.01 0.78 0.01 0.28 -0.73 0.00 0.00 179.01 179.36 2gtg h VAL 50 N 0.42 1.24 -0.72 0.32 2.07 -0.31 -2.96 116.25 116.32 2gtg h VAL 50 Ca 0.09 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.89 2gtg h VAL 50 Cb 0.53 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 2gtg h VAL 50 CO 0.03 0.24 0.39 0.58 0.02 0.00 0.00 177.57 178.82 2gtg h VAL 51 N 0.02 0.91 -0.44 2.57 2.07 -1.10 0.65 116.25 120.93 2gtg h VAL 51 Ca 0.04 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2gtg h VAL 51 Cb 0.35 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2gtg h VAL 51 CO 0.01 0.12 0.12 0.44 0.02 0.00 0.00 177.57 178.28 2gtg h ASP 52 N 0.68 0.60 0.00 0.57 3.32 -1.32 0.10 116.42 120.38 2gtg h ASP 52 Ca 0.34 -0.09 -0.31 0.00 0.02 0.00 0.00 57.03 56.99 2gtg h ASP 52 Cb 0.30 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 2gtg h ASP 52 CO -0.23 0.60 -2.17 0.41 -1.72 0.00 0.00 179.24 176.13 2gtg n THR 53 N -4.32 1.17 0.41 0.35 -1.04 -1.12 -4.74 114.28 104.99 2gtg n THR 53 Ca 0.03 -0.61 0.06 0.00 -2.04 0.00 0.00 64.05 61.49 2gtg n THR 53 Cb 0.20 -0.83 -0.07 0.00 -1.82 0.00 0.00 70.33 67.80 2gtg n THR 53 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2gtg n TYR 54 N -2.82 0.00 0.50 -1.42 4.01 0.23 -4.70 117.16 112.95 2gtg n TYR 54 Ca -0.31 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.22 2gtg n TYR 54 Cb 0.99 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.85 2gtg n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2gtg h GLY 55 N 2.60 -1.35 2.00 2.72 0.00 -0.78 0.58 103.07 108.84 2gtg h GLY 55 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 47.33 47.74 2gtg h GLY 55 CO 0.00 -0.48 -0.46 1.48 0.00 0.00 0.00 176.54 177.07 2gtg h SER 56 N -1.28 0.00 -0.34 0.19 4.64 -1.88 -1.17 113.55 113.71 2gtg h SER 56 Ca -0.13 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.04 2gtg h SER 56 Cb 0.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 2gtg h SER 56 CO 0.20 0.46 -0.38 0.28 -0.87 0.00 0.00 176.83 176.51 2gtg h SER 57 N 0.00 0.95 0.04 4.97 0.02 -1.67 -1.79 113.55 116.07 2gtg h SER 57 Ca -0.00 -0.43 0.03 0.00 -0.84 0.00 0.00 61.79 60.54 2gtg h SER 57 Cb 0.83 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 2gtg h SER 57 CO 0.06 1.22 -0.35 0.40 -1.14 0.00 0.00 176.83 177.02 2gtg h ILE 58 N 0.73 0.27 -0.18 3.27 2.04 0.71 -2.65 117.51 121.70 2gtg h ILE 58 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.97 2gtg h ILE 58 Cb 0.97 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2gtg h ILE 58 CO 0.09 0.00 -0.17 0.25 0.00 0.00 0.00 178.15 178.32 2gtg h LEU 59 N -0.53 -0.55 -0.58 1.44 5.85 -1.21 -1.39 115.31 118.34 2gtg h LEU 59 Ca 0.05 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.89 2gtg h LEU 59 Cb 0.59 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 2gtg h LEU 59 CO -0.25 -0.22 0.37 0.28 -0.34 0.00 0.00 178.44 178.28 2gtg h SER 60 N -0.20 0.62 -0.34 1.25 0.02 -1.32 0.23 113.55 113.82 2gtg h SER 60 Ca 0.11 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2gtg h SER 60 Cb 0.37 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2gtg h SER 60 CO -0.29 0.44 0.15 0.40 -1.14 0.00 0.00 176.83 176.39 2gtg h ILE 61 N 0.74 1.17 -1.00 3.27 2.04 -1.30 -0.51 117.51 121.91 2gtg h ILE 61 Ca 0.22 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.64 2gtg h ILE 61 Cb -0.04 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 2gtg h ILE 61 CO -0.07 0.18 0.64 -0.07 0.00 0.00 0.00 178.15 178.84 2gtg h LEU 62 N 0.41 1.02 -0.80 1.44 3.38 -0.84 -0.56 115.31 119.36 2gtg h LEU 62 Ca 0.12 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2gtg h LEU 62 Cb 0.15 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2gtg h LEU 62 CO -0.01 0.63 -0.10 -0.07 0.09 0.00 0.00 178.44 178.98 2gtg h LEU 63 N 1.15 0.00 0.00 1.67 3.38 0.39 -1.35 115.31 120.55 2gtg h LEU 63 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 2gtg h LEU 63 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2gtg h LEU 63 CO -0.19 0.10 0.00 -0.62 0.09 0.00 0.00 178.44 177.82 2gtg n GLU 64 N -3.18 0.80 -1.38 1.13 -0.58 -0.23 -4.88 120.64 112.33 2gtg n GLU 64 Ca 0.02 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.71 2gtg n GLU 64 Cb 0.44 -1.36 -0.02 0.00 -0.57 0.00 0.00 31.44 29.94 2gtg n GLU 64 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2gtg n GLU 65 N -0.86 -0.36 -2.50 3.49 4.71 -0.51 -5.02 120.64 119.59 2gtg n GLU 65 Ca 0.14 0.57 -0.41 0.00 -0.01 0.00 0.00 57.16 57.45 2gtg n GLU 65 Cb 0.06 -4.30 -0.04 0.00 -1.01 0.00 0.00 31.44 26.15 2gtg n GLU 65 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2gtg s VAL 66 N -2.20 3.79 0.07 2.62 1.01 -1.13 -4.98 120.40 119.58 2gtg s VAL 66 Ca 0.00 1.57 -0.34 0.00 0.00 0.00 0.00 61.98 63.21 2gtg s VAL 66 Cb 0.00 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.24 2gtg s VAL 66 CO 0.00 0.28 1.64 -0.24 0.00 0.00 0.00 175.10 176.79 2gtg n SER 67 N 2.24 3.04 -0.30 3.32 2.88 -1.26 -4.58 113.62 118.96 2gtg n SER 67 Ca 0.02 1.06 0.09 0.00 -1.33 0.00 0.00 58.87 58.71 2gtg n SER 67 Cb 0.46 -1.38 0.22 0.00 -0.75 0.00 0.00 64.21 62.75 2gtg n SER 67 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2gtg h PRO 68 N 6.74 0.07 -1.68 -1.46 0.11 -1.95 0.13 132.00 133.96 2gtg h PRO 68 Ca -0.46 -0.00 0.52 0.00 0.11 0.00 0.00 66.00 66.17 2gtg h PRO 68 Cb 1.27 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.26 2gtg h PRO 68 CO 0.90 0.04 1.16 0.39 -0.21 0.00 0.00 178.00 180.28 2gtg n GLU 69 N -5.41 -0.02 0.00 1.05 1.02 -1.26 -2.25 120.64 113.77 2gtg n GLU 69 Ca 0.18 1.15 0.09 0.00 -0.02 0.00 0.00 57.16 58.56 2gtg n GLU 69 Cb 0.60 -2.46 -0.06 0.00 -0.02 0.00 0.00 31.44 29.50 2gtg n GLU 69 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2gtg n LEU 70 N -4.27 1.24 0.09 -4.62 4.77 0.46 -4.62 117.00 110.05 2gtg n LEU 70 Ca 0.42 -0.61 -0.13 0.00 -0.03 0.00 0.00 56.01 55.66 2gtg n LEU 70 Cb 1.79 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.80 2gtg n LEU 70 CO 0.32 0.26 0.70 0.58 -1.33 0.00 0.00 177.39 177.92 2gtg h VAL 71 N 0.87 0.97 -0.40 4.08 2.07 -1.45 -1.04 116.25 121.34 2gtg h VAL 71 Ca 0.00 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 2gtg h VAL 71 Cb 0.51 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2gtg h VAL 71 CO 0.00 0.11 -0.07 0.00 0.02 0.00 0.00 177.57 177.63 2gtg h SER 73 N 0.63 0.08 -0.71 0.00 4.64 -1.76 0.21 113.55 116.65 2gtg h SER 73 Ca 0.12 -0.09 0.07 0.00 -0.47 0.00 0.00 61.79 61.42 2gtg h SER 73 Cb 0.51 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 2gtg h SER 73 CO 0.03 1.06 0.47 -0.03 -0.87 0.00 0.00 176.83 177.49 2gtg h MET 74 N 0.02 0.69 -0.26 4.77 4.05 -0.74 -1.35 114.93 122.10 2gtg h MET 74 Ca -0.03 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2gtg h MET 74 Cb 1.80 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.44 2gtg h MET 74 CO 0.14 0.46 0.00 1.28 0.23 0.00 0.00 176.91 179.02 2gtg n LEU 75 N -4.48 2.56 -2.44 3.39 4.77 -0.80 -4.96 117.00 115.04 2gtg n LEU 75 Ca 0.11 -1.08 -0.21 0.00 -0.03 0.00 0.00 56.01 54.80 2gtg n LEU 75 Cb 0.25 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2gtg n LEU 75 CO 0.34 0.54 -0.25 1.41 -1.33 0.00 0.00 177.39 178.10 2gtg n HIS 76 N 0.91 -1.07 0.02 -1.77 8.25 -0.51 -4.89 115.22 116.17 2gtg n HIS 76 Ca 0.17 0.04 -0.01 0.00 -0.26 0.00 0.00 57.72 57.66 2gtg n HIS 76 Cb 0.47 -4.03 -0.09 0.00 1.12 0.00 0.00 29.99 27.46 2gtg n HIS 76 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2gtg n LEU 77 N -3.09 0.85 -4.55 2.41 4.77 0.01 -4.98 117.00 112.43 2gtg n LEU 77 Ca -0.24 0.38 -0.25 0.00 -0.03 0.00 0.00 56.01 55.87 2gtg n LEU 77 Cb 0.68 0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.76 2gtg n LEU 77 CO 0.30 0.17 -0.39 0.00 -1.33 0.00 0.00 177.39 176.15