#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qyp h TYR -1 N 0.00 0.96 -0.50 0.00 5.03 -2.06 -2.51 116.97 117.90 2qyp h TYR -1 Ca 0.00 -0.28 0.02 0.00 2.58 0.00 0.00 58.73 61.05 2qyp h TYR -1 Cb 0.00 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.05 2qyp h TYR -1 CO 0.00 1.06 0.33 -0.24 -1.32 0.00 0.00 178.16 177.99 2qyp h VAL 0 N 0.67 1.10 -0.26 1.81 3.04 -2.06 -2.35 116.25 118.20 2qyp h VAL 0 Ca 0.06 -0.22 -0.10 0.00 -1.01 0.00 0.00 66.70 65.43 2qyp h VAL 0 Cb 0.93 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 2qyp h VAL 0 CO 0.09 0.12 -0.28 0.28 -1.01 0.00 0.00 177.57 176.77 2qyp h SER 1 N 0.63 0.53 -0.59 3.17 0.02 -1.92 -1.52 113.55 113.87 2qyp h SER 1 Ca 0.19 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2qyp h SER 1 Cb -0.01 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 2qyp h SER 1 CO -0.04 0.79 0.14 0.44 -1.14 0.00 0.00 176.83 177.01 2qyp h ASP 2 N 0.45 0.92 0.16 3.07 3.45 -1.02 -1.45 116.42 122.00 2qyp h ASP 2 Ca 0.06 -0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 2qyp h ASP 2 Cb 0.72 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 2qyp h ASP 2 CO 0.05 0.90 -0.08 0.58 -1.57 0.00 0.00 179.24 179.13 2qyp h VAL 3 N 0.93 0.95 -0.37 -1.35 2.07 -1.01 -0.73 116.25 116.74 2qyp h VAL 3 Ca 0.20 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.31 2qyp h VAL 3 Cb 0.35 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 2qyp h VAL 3 CO 0.00 0.11 -0.17 1.88 0.02 0.00 0.00 177.57 179.41 2qyp h TYR 4 N -0.45 -0.43 -0.96 1.57 0.05 -1.22 0.93 116.97 116.47 2qyp h TYR 4 Ca -0.02 0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2qyp h TYR 4 Cb 0.35 0.25 -0.06 0.00 1.01 0.00 0.00 36.73 38.28 2qyp h TYR 4 CO 0.00 -0.25 0.62 0.00 -1.05 0.00 0.00 178.16 177.48 2qyp h GLU 6 N 1.15 0.83 -0.64 0.00 4.57 0.02 -2.04 114.58 118.47 2qyp h GLU 6 Ca 0.40 -0.52 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 2qyp h GLU 6 Cb 0.09 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 2qyp h GLU 6 CO -0.15 1.16 0.23 0.28 -1.18 0.00 0.00 179.01 179.35 2qyp h VAL 7 N 0.60 1.24 -0.41 0.32 2.07 -0.69 -0.31 116.25 119.07 2qyp h VAL 7 Ca 0.02 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2qyp h VAL 7 Cb 1.11 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2qyp h VAL 7 CO 0.11 0.31 0.26 0.00 0.02 0.00 0.00 177.57 178.27 2qyp h GLU 9 N 0.55 1.04 -0.45 0.00 5.08 -1.06 -1.35 114.58 118.39 2qyp h GLU 9 Ca 0.15 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2qyp h GLU 9 Cb -0.03 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 2qyp h GLU 9 CO -0.03 0.86 0.23 0.35 -1.00 0.00 0.00 179.01 179.42 2qyp h PHE 10 N 0.99 0.43 -0.64 4.33 3.57 -0.84 -2.31 116.94 122.48 2qyp h PHE 10 Ca 0.23 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.76 2qyp h PHE 10 Cb 0.20 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2qyp h PHE 10 CO 0.01 0.23 0.42 -0.07 -2.23 0.00 0.00 178.31 176.68 2qyp h LEU 11 N 0.47 0.73 -1.11 0.59 3.38 -0.95 -0.32 115.31 118.11 2qyp h LEU 11 Ca 0.19 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2qyp h LEU 11 Cb 0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2qyp h LEU 11 CO -0.12 0.53 0.61 0.58 0.09 0.00 0.00 178.44 180.12 2qyp h VAL 12 N 0.87 1.18 -0.14 1.22 2.07 -1.00 -1.02 116.25 119.42 2qyp h VAL 12 Ca 0.24 -0.41 -0.16 0.00 0.82 0.00 0.00 66.70 67.19 2qyp h VAL 12 Cb -0.10 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 29.57 2qyp h VAL 12 CO -0.05 0.22 -0.53 0.11 0.02 0.00 0.00 177.57 177.34 2qyp h LYS 13 N 1.19 0.61 0.35 1.57 1.57 -0.84 -2.26 116.57 118.76 2qyp h LYS 13 Ca 0.36 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2qyp h LYS 13 Cb -0.04 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2qyp h LYS 13 CO -0.10 1.09 -0.18 0.93 -0.57 0.00 0.00 179.45 180.62 2qyp h GLU 14 N 0.26 -0.47 -0.88 3.15 4.39 -0.89 -2.20 114.58 117.95 2qyp h GLU 14 Ca -0.02 0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.88 2qyp h GLU 14 Cb 1.16 0.11 -0.17 0.00 -0.10 0.00 0.00 28.75 29.75 2qyp h GLU 14 CO 0.11 -0.31 -0.21 0.28 -1.16 0.00 0.00 179.01 177.72 2qyp n VAL 15 N -3.36 -0.37 -0.27 3.13 0.31 -0.40 0.45 118.33 117.82 2qyp n VAL 15 Ca -0.06 2.00 0.04 0.00 -0.01 0.00 0.00 64.34 66.31 2qyp n VAL 15 Cb 0.20 -2.77 0.18 0.00 -0.91 0.00 0.00 33.84 30.53 2qyp n VAL 15 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2qyp h THR 16 N 0.00 0.78 -0.39 2.52 2.02 -1.36 -1.46 112.91 115.02 2qyp h THR 16 Ca 0.42 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.33 2qyp h THR 16 Cb 0.65 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2qyp h THR 16 CO -0.90 0.11 -0.03 0.11 0.37 0.00 0.00 175.52 175.19 2qyp h LYS 17 N 0.60 0.71 0.00 6.66 1.57 0.66 -3.22 116.57 123.55 2qyp h LYS 17 Ca 0.40 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2qyp h LYS 17 Cb 0.50 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2qyp h LYS 17 CO -0.32 0.81 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.18 2qyp h LEU 18 N 0.53 0.00 -0.61 2.94 3.38 -0.20 -2.84 115.31 118.51 2qyp h LEU 18 Ca 0.11 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2qyp h LEU 18 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2qyp h LEU 18 CO 0.03 0.13 -0.65 0.40 0.09 0.00 0.00 178.44 178.43 2qyp h ILE 19 N 0.00 1.42 -0.35 1.22 2.04 -1.30 -3.37 117.51 117.17 2qyp h ILE 19 Ca -0.00 -2.12 -0.66 0.00 1.00 0.00 0.00 64.86 63.08 2qyp h ILE 19 Cb 0.26 2.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 2qyp h ILE 19 CO 0.02 0.62 2.55 -0.67 0.00 0.00 0.00 178.15 180.66 2qyp n ASP 20 N -3.82 4.04 -4.39 1.72 -0.08 -1.07 -4.77 116.55 108.17 2qyp n ASP 20 Ca -0.02 -2.84 -0.19 0.00 -1.51 0.00 0.00 54.79 50.22 2qyp n ASP 20 Cb 0.65 -1.64 -0.10 0.00 2.34 0.00 0.00 41.12 42.37 2qyp n ASP 20 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2qyp s ASN 21 N 4.04 1.90 0.30 1.67 2.20 -1.26 -5.04 114.94 118.75 2qyp s ASN 21 Ca 0.52 -1.37 0.06 0.00 -0.94 0.00 0.00 52.86 51.13 2qyp s ASN 21 Cb 0.09 0.01 0.46 0.00 -2.00 0.00 0.00 41.25 39.81 2qyp s ASN 21 CO 0.01 -0.65 1.71 0.78 -2.94 0.00 0.00 177.10 176.01 2qyp h ASN 22 N 2.24 0.28 -0.10 3.54 4.21 -1.96 -1.61 115.58 122.18 2qyp h ASN 22 Ca -0.40 -0.11 -0.02 0.00 1.21 0.00 0.00 56.30 56.98 2qyp h ASN 22 Cb 1.24 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 38.36 2qyp h ASN 22 CO 0.66 0.65 -0.02 0.50 -1.29 0.00 0.00 177.43 177.93 2qyp h LYS 23 N 0.23 0.19 -0.41 0.81 3.64 -1.98 -2.76 116.57 116.29 2qyp h LYS 23 Ca 0.02 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 2qyp h LYS 23 Cb 0.79 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2qyp h LYS 23 CO 0.06 0.49 -0.18 1.15 -2.27 0.00 0.00 179.45 178.70 2qyp h THR 24 N -0.13 1.27 -0.35 1.00 2.02 -1.83 -1.72 112.91 113.17 2qyp h THR 24 Ca 0.03 -1.28 -0.05 0.00 0.77 0.00 0.00 66.41 65.87 2qyp h THR 24 Cb 0.42 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2qyp h THR 24 CO 0.01 0.43 -0.01 -0.08 0.37 0.00 0.00 175.52 176.24 2qyp h GLU 25 N 0.70 0.55 -0.04 6.66 4.57 -1.34 -1.78 114.58 123.91 2qyp h GLU 25 Ca 0.10 -0.12 -0.26 0.00 -1.18 0.00 0.00 59.36 57.90 2qyp h GLU 25 Cb 0.69 -0.08 0.02 0.00 -0.16 0.00 0.00 28.75 29.22 2qyp h GLU 25 CO 0.05 0.58 -0.99 -0.22 -1.18 0.00 0.00 179.01 177.26 2qyp h LYS 26 N 0.52 0.73 -0.94 1.92 1.63 -1.14 -2.53 116.57 116.77 2qyp h LYS 26 Ca 0.11 -0.74 0.04 0.00 -0.85 0.00 0.00 60.65 59.22 2qyp h LYS 26 Cb 0.35 0.20 -0.06 0.00 -0.60 0.00 0.00 32.23 32.12 2qyp h LYS 26 CO 0.01 1.32 0.61 0.93 -3.45 0.00 0.00 179.45 178.86 2qyp h GLU 27 N 0.43 1.12 -0.39 1.90 5.08 -1.12 -1.47 114.58 120.13 2qyp h GLU 27 Ca -0.11 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2qyp h GLU 27 Cb 1.63 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 2qyp h GLU 27 CO 0.20 0.74 0.15 0.82 -1.00 0.00 0.00 179.01 179.92 2qyp h ILE 28 N 1.16 1.20 -0.16 3.13 2.04 -1.27 -1.73 117.51 121.88 2qyp h ILE 28 Ca 0.38 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2qyp h ILE 28 Cb 0.04 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2qyp h ILE 28 CO -0.13 0.22 0.09 -0.07 0.00 0.00 0.00 178.15 178.25 2qyp h LEU 29 N 0.49 0.20 -0.85 1.44 3.38 -1.04 0.21 115.31 119.14 2qyp h LEU 29 Ca 0.13 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2qyp h LEU 29 Cb 0.20 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2qyp h LEU 29 CO -0.01 0.23 0.56 0.44 0.09 0.00 0.00 178.44 179.75 2qyp h ASP 30 N 0.16 0.96 -0.15 -0.43 3.32 -1.28 -0.20 116.42 118.80 2qyp h ASP 30 Ca 0.06 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 2qyp h ASP 30 Cb 0.07 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2qyp h ASP 30 CO -0.01 0.69 -0.16 0.00 -1.72 0.00 0.00 179.24 178.04 2qyp h ALA 31 N 1.32 1.16 -0.22 3.45 0.00 -1.03 -1.13 119.26 122.81 2qyp h ALA 31 Ca 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qyp h ALA 31 Cb -0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qyp h ALA 31 CO -0.08 0.53 0.04 0.74 0.00 0.00 0.00 179.25 180.48 2qyp h PHE 32 N 0.49 0.39 0.19 0.00 -1.00 0.13 -1.22 116.94 115.91 2qyp h PHE 32 Ca 0.08 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 2qyp h PHE 32 Cb 0.56 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 40.01 2qyp h PHE 32 CO 0.02 0.49 -0.12 -0.44 -1.61 0.00 0.00 178.31 176.66 2qyp h ASP 33 N 0.17 -0.29 -0.46 2.17 3.32 -0.90 -0.59 116.42 119.84 2qyp h ASP 33 Ca 0.07 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.20 2qyp h ASP 33 Cb 0.31 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 2qyp h ASP 33 CO 0.00 -0.19 0.16 0.50 -1.72 0.00 0.00 179.24 177.99 2qyp h LYS 34 N -0.30 0.32 -0.56 3.56 3.64 -1.22 -2.53 116.57 119.48 2qyp h LYS 34 Ca -0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2qyp h LYS 34 Cb 0.25 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2qyp h LYS 34 CO 0.02 0.21 0.27 1.98 -2.27 0.00 0.00 179.45 179.65 2qyp h MET 35 N 0.32 0.80 -0.93 1.90 4.05 -0.97 -2.95 114.93 117.16 2qyp h MET 35 Ca 0.22 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2qyp h MET 35 Cb 0.23 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.84 2qyp h MET 35 CO -0.23 0.66 0.60 0.00 0.23 0.00 0.00 176.91 178.16 2qyp h SER 37 N 1.27 0.00 0.80 0.00 4.64 -1.29 -2.50 113.55 116.48 2qyp h SER 37 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2qyp h SER 37 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2qyp h SER 37 CO -0.07 0.00 -0.19 0.29 -0.87 0.00 0.00 176.83 175.99 2qyp n LYS 38 N -2.37 0.01 -2.13 4.77 5.02 -0.94 -4.92 118.16 117.60 2qyp n LYS 38 Ca 0.02 -0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.03 2qyp n LYS 38 Cb 0.27 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 2qyp n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qyp s LEU 39 N -2.99 3.07 0.65 -0.35 1.43 -0.94 -5.04 118.68 114.50 2qyp s LEU 39 Ca 0.13 0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 53.99 2qyp s LEU 39 Cb 0.18 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 2qyp s LEU 39 CO 0.59 -1.20 1.27 -2.84 0.23 0.00 0.00 176.35 174.40 2qyp s PRO 40 N -5.18 2.58 0.21 1.29 0.02 -1.26 -4.48 135.00 128.18 2qyp s PRO 40 Ca 0.56 1.98 -0.17 0.00 0.02 0.00 0.00 61.00 63.39 2qyp s PRO 40 Cb -0.11 -1.86 0.20 0.00 0.02 0.00 0.00 34.50 32.76 2qyp s PRO 40 CO 0.49 -1.55 1.59 0.87 -0.33 0.00 0.00 177.00 178.06 2qyp h LYS 41 N 0.51 -0.08 0.00 5.54 1.79 -1.96 0.14 116.57 122.50 2qyp h LYS 41 Ca -0.50 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2qyp h LYS 41 Cb 1.32 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 2qyp h LYS 41 CO 0.53 -0.06 0.00 -1.13 -1.08 0.00 0.00 179.45 177.72 2qyp n SER 42 N -5.46 0.00 0.24 0.86 3.41 -1.26 -2.91 113.62 108.50 2qyp n SER 42 Ca 0.07 0.98 0.09 0.00 -0.26 0.00 0.00 58.87 59.75 2qyp n SER 42 Cb 0.37 -0.48 0.62 0.00 -0.26 0.00 0.00 64.21 64.46 2qyp n SER 42 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2qyp h LEU 43 N 0.00 0.00 -0.54 1.04 5.85 -1.48 -3.12 115.31 117.06 2qyp h LEU 43 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2qyp h LEU 43 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2qyp h LEU 43 CO 0.00 0.16 -0.29 0.77 -0.34 0.00 0.00 178.44 178.74 2qyp h SER 44 N 0.00 0.90 -0.44 1.25 4.64 -0.67 -1.23 113.55 118.00 2qyp h SER 44 Ca -0.00 -0.37 -0.06 0.00 -0.47 0.00 0.00 61.79 60.90 2qyp h SER 44 Cb 0.34 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2qyp h SER 44 CO 0.02 1.13 0.06 -0.33 -0.87 0.00 0.00 176.83 176.84 2qyp h GLU 45 N 0.73 0.74 -0.00 4.77 5.08 -1.51 -1.98 114.58 122.41 2qyp h GLU 45 Ca 0.08 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 2qyp h GLU 45 Cb 0.85 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2qyp h GLU 45 CO 0.07 0.77 -0.52 0.93 -1.00 0.00 0.00 179.01 179.26 2qyp h GLU 46 N 0.60 0.00 -0.52 2.33 5.08 -1.61 -1.62 114.58 118.84 2qyp h GLU 46 Ca 0.13 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2qyp h GLU 46 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2qyp h GLU 46 CO 0.01 0.53 0.31 0.00 -1.00 0.00 0.00 179.01 178.85 2qyp h GLN 48 N 0.70 0.83 -0.53 0.00 5.75 -1.02 -2.16 115.11 118.68 2qyp h GLN 48 Ca 0.19 -0.49 0.09 0.00 -0.15 0.00 0.00 58.65 58.29 2qyp h GLN 48 Cb 0.00 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.52 2qyp h GLN 48 CO -0.03 1.12 0.10 0.93 -2.65 0.00 0.00 178.83 178.29 2qyp h GLU 49 N 0.60 0.22 -0.55 1.69 5.08 -1.18 0.10 114.58 120.54 2qyp h GLU 49 Ca 0.03 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2qyp h GLU 49 Cb 1.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2qyp h GLU 49 CO 0.10 0.15 0.11 0.28 -1.00 0.00 0.00 179.01 178.65 2qyp h VAL 50 N 0.23 1.23 -0.54 3.13 2.07 -1.19 -2.21 116.25 118.97 2qyp h VAL 50 Ca 0.27 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 2qyp h VAL 50 Cb 0.38 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2qyp h VAL 50 CO -0.36 0.32 -0.04 0.58 0.02 0.00 0.00 177.57 178.09 2qyp h VAL 51 N 0.82 1.26 -0.75 2.57 2.07 -0.65 0.14 116.25 121.71 2qyp h VAL 51 Ca 0.18 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2qyp h VAL 51 Cb 0.33 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2qyp h VAL 51 CO 0.00 0.41 0.27 0.44 0.02 0.00 0.00 177.57 178.71 2qyp h ASP 52 N 0.88 1.06 0.04 0.57 3.32 -0.26 -0.52 116.42 121.52 2qyp h ASP 52 Ca 0.15 -0.19 -0.36 0.00 0.02 0.00 0.00 57.03 56.65 2qyp h ASP 52 Cb 0.57 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2qyp h ASP 52 CO 0.03 0.97 -2.03 0.35 -1.72 0.00 0.00 179.24 176.84 2qyp n THR 53 N -4.29 1.61 0.53 0.35 -2.24 -0.90 -4.67 114.28 104.67 2qyp n THR 53 Ca 0.06 -0.44 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 2qyp n THR 53 Cb 0.21 -1.76 -0.03 0.00 -2.10 0.00 0.00 70.33 66.65 2qyp n THR 53 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2qyp n TYR 54 N -3.80 0.00 0.07 4.78 4.02 0.46 -4.71 117.16 117.98 2qyp n TYR 54 Ca -0.39 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.37 2qyp n TYR 54 Cb 0.92 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.17 2qyp n TYR 54 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2qyp h GLY 55 N 2.59 -0.11 1.00 2.72 0.00 -0.82 -2.90 103.07 105.55 2qyp h GLY 55 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2qyp h GLY 55 CO 0.00 -0.06 0.00 -1.14 0.00 0.00 0.00 176.54 175.34 2qyp n SER 56 N -5.17 0.00 -0.19 0.19 3.41 -1.26 -2.28 113.62 108.32 2qyp n SER 56 Ca -0.07 -0.60 0.07 0.00 -0.26 0.00 0.00 58.87 58.01 2qyp n SER 56 Cb 0.10 -0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.14 2qyp n SER 56 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qyp n SER 57 N -1.00 1.60 0.05 4.04 3.41 -1.10 -4.70 113.62 115.92 2qyp n SER 57 Ca 0.14 -2.69 -0.15 0.00 -0.26 0.00 0.00 58.87 55.91 2qyp n SER 57 Cb 0.07 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 63.63 2qyp n SER 57 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2qyp h ILE 58 N 2.13 1.36 -0.57 -1.33 1.08 -1.44 -3.20 117.51 115.52 2qyp h ILE 58 Ca 0.00 -2.31 -0.08 0.00 -0.39 0.00 0.00 64.86 62.08 2qyp h ILE 58 Cb 1.10 2.31 -0.02 0.00 -3.07 0.00 0.00 36.82 37.14 2qyp h ILE 58 CO 0.00 0.70 0.02 0.25 -0.69 0.00 0.00 178.15 178.43 2qyp h LEU 59 N 0.31 0.94 -0.31 1.44 7.12 -1.84 -1.93 115.31 121.05 2qyp h LEU 59 Ca -0.08 -0.24 -0.12 0.00 0.13 0.00 0.00 57.88 57.57 2qyp h LEU 59 Cb 1.54 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 2qyp h LEU 59 CO 0.17 0.99 -0.28 0.28 -0.13 0.00 0.00 178.44 179.46 2qyp h SER 60 N 0.90 0.78 -0.56 1.25 0.02 -1.87 -0.10 113.55 113.97 2qyp h SER 60 Ca 0.17 -0.46 -0.10 0.00 -0.84 0.00 0.00 61.79 60.55 2qyp h SER 60 Cb 0.49 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2qyp h SER 60 CO 0.02 1.08 -0.06 0.40 -1.14 0.00 0.00 176.83 177.13 2qyp h ILE 61 N 0.49 1.27 0.20 3.27 1.08 -1.54 -1.34 117.51 120.93 2qyp h ILE 61 Ca 0.05 -1.21 -0.00 0.00 -0.39 0.00 0.00 64.86 63.31 2qyp h ILE 61 Cb 0.85 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 2qyp h ILE 61 CO 0.07 0.43 -0.15 0.25 -0.69 0.00 0.00 178.15 178.06 2qyp h LEU 62 N 0.91 -0.38 -1.48 1.44 6.46 -1.10 -2.62 115.31 118.54 2qyp h LEU 62 Ca 0.15 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2qyp h LEU 62 Cb 0.62 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 2qyp h LEU 62 CO 0.04 -0.23 0.35 -0.07 -0.62 0.00 0.00 178.44 177.91 2qyp h LEU 63 N -0.35 0.60 -1.77 2.25 3.38 -0.95 -1.81 115.31 116.67 2qyp h LEU 63 Ca -0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2qyp h LEU 63 Cb 0.31 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2qyp h LEU 63 CO -0.01 0.43 -0.16 -0.33 0.09 0.00 0.00 178.44 178.47 2qyp h GLU 64 N 0.71 0.00 -0.01 1.13 5.08 -0.93 -2.96 114.58 117.59 2qyp h GLU 64 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2qyp h GLU 64 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2qyp h GLU 64 CO -0.04 0.16 -0.24 0.39 -1.00 0.00 0.00 179.01 178.28 2qyp n GLU 65 N -3.99 0.95 -2.16 2.33 1.02 -0.69 -4.86 120.64 113.24 2qyp n GLU 65 Ca -0.02 -0.57 -0.42 0.00 -0.02 0.00 0.00 57.16 56.12 2qyp n GLU 65 Cb 0.25 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 2qyp n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qyp s VAL 66 N -2.45 3.48 -0.42 2.62 1.01 -1.12 -5.00 120.40 118.52 2qyp s VAL 66 Ca 0.25 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 63.09 2qyp s VAL 66 Cb 0.19 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 33.05 2qyp s VAL 66 CO 0.50 0.02 0.27 -0.55 0.00 0.00 0.00 175.10 175.34 2qyp s SER 67 N 1.73 5.65 0.29 3.32 0.15 -1.26 -4.98 113.70 118.60 2qyp s SER 67 Ca 0.66 -1.53 0.04 0.00 0.70 0.00 0.00 55.95 55.81 2qyp s SER 67 Cb -0.34 -1.99 0.72 0.00 -1.71 0.00 0.00 66.02 62.70 2qyp s SER 67 CO 0.29 -0.55 1.72 -0.65 1.20 0.00 0.00 173.24 175.25 2qyp h PRO 68 N 8.41 0.49 -0.37 5.44 0.11 -1.93 -1.28 132.00 142.87 2qyp h PRO 68 Ca -0.23 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 2qyp h PRO 68 Cb 1.08 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 2qyp h PRO 68 CO 0.77 0.32 0.13 1.49 -0.21 0.00 0.00 178.00 180.50 2qyp h GLU 69 N 0.50 0.56 -0.37 1.05 4.22 -1.93 -1.84 114.58 116.78 2qyp h GLU 69 Ca 0.56 -0.11 -0.13 0.00 0.08 0.00 0.00 59.36 59.76 2qyp h GLU 69 Cb 1.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2qyp h GLU 69 CO -0.47 0.56 -0.28 1.25 -2.18 0.00 0.00 179.01 177.89 2qyp h LEU 70 N 0.45 0.79 -0.43 1.64 5.85 -1.77 -0.41 115.31 121.43 2qyp h LEU 70 Ca 0.12 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2qyp h LEU 70 Cb 0.22 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2qyp h LEU 70 CO -0.01 1.02 0.23 0.58 -0.34 0.00 0.00 178.44 179.92 2qyp h VAL 71 N 0.66 1.17 0.00 1.05 2.07 -1.18 -2.29 116.25 117.72 2qyp h VAL 71 Ca 0.08 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 2qyp h VAL 71 Cb 0.80 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2qyp h VAL 71 CO 0.07 0.18 -0.56 0.00 0.02 0.00 0.00 177.57 177.27 2qyp h SER 73 N 0.00 0.63 0.63 0.00 0.02 -1.03 0.12 113.55 113.92 2qyp h SER 73 Ca -0.01 -0.33 -0.08 0.00 -0.84 0.00 0.00 61.79 60.54 2qyp h SER 73 Cb 1.16 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2qyp h SER 73 CO 0.07 1.05 -0.37 0.24 -1.14 0.00 0.00 176.83 176.68 2qyp h MET 74 N 0.44 0.00 0.00 3.45 2.86 -1.16 -1.55 114.93 118.97 2qyp h MET 74 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2qyp h MET 74 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2qyp h MET 74 CO 0.10 0.37 -0.01 1.28 1.06 0.00 0.00 176.91 179.71 2qyp n LEU 75 N -3.72 0.13 -0.93 1.22 4.32 -0.79 -4.92 117.00 112.30 2qyp n LEU 75 Ca -0.01 0.50 -0.12 0.00 -0.02 0.00 0.00 56.01 56.36 2qyp n LEU 75 Cb 0.46 -0.47 -0.05 0.00 -1.62 0.00 0.00 43.42 41.74 2qyp n LEU 75 CO 0.37 -0.02 -0.12 1.41 -1.22 0.00 0.00 177.39 177.81 2qyp n HIS 76 N -1.61 0.00 0.11 -1.77 8.25 -0.58 -4.90 115.22 114.72 2qyp n HIS 76 Ca 0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.57 2qyp n HIS 76 Cb 0.35 -2.28 0.00 0.00 1.12 0.00 0.00 29.99 29.19 2qyp n HIS 76 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qyp h LEU 77 N 0.00 0.00 -1.11 2.41 4.07 -1.07 -3.49 115.31 116.12 2qyp h LEU 77 Ca -0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.71 2qyp h LEU 77 Cb 0.82 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.56 2qyp h LEU 77 CO 0.37 0.40 0.00 0.00 -1.08 0.00 0.00 178.44 178.12