#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpu n GLN 38 N 0.00 -1.75 0.02 1.96 7.27 -1.26 -5.00 117.38 118.62 1vpu n GLN 38 Ca 0.00 1.00 0.00 0.00 0.07 0.00 0.00 57.00 58.07 1vpu n GLN 38 Cb 0.00 -5.41 0.00 0.00 2.41 0.00 0.00 30.24 27.24 1vpu n GLN 38 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1vpu n ILE 39 N -2.60 0.43 0.26 1.69 5.41 -1.26 -4.75 119.36 118.55 1vpu n ILE 39 Ca -0.04 0.14 0.18 0.00 1.00 0.00 0.00 62.75 64.03 1vpu n ILE 39 Cb 0.57 -1.12 0.92 0.00 -0.71 0.00 0.00 39.64 39.31 1vpu n ILE 39 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1vpu h ASP 40 N 0.00 0.00 0.19 4.38 5.19 -1.95 -1.35 116.42 122.88 1vpu h ASP 40 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1vpu h ASP 40 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1vpu h ASP 40 CO 0.00 0.00 -0.18 0.03 -3.12 0.00 0.00 179.24 175.97 1vpu h ARG 41 N 0.00 0.00 0.23 3.56 2.47 -1.89 -0.03 114.38 118.72 1vpu h ARG 41 Ca 0.04 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.44 1vpu h ARG 41 Cb 0.35 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.70 1vpu h ARG 41 CO -0.00 0.18 -1.43 1.37 0.56 0.00 0.00 179.97 180.65 1vpu h LEU 42 N 0.00 0.80 -0.19 3.04 8.10 -1.54 -2.68 115.31 122.84 1vpu h LEU 42 Ca -0.00 -0.85 0.04 0.00 0.11 0.00 0.00 57.88 57.18 1vpu h LEU 42 Cb 0.33 -0.26 -0.04 0.00 -0.44 0.00 0.00 40.66 40.25 1vpu h LEU 42 CO 0.02 1.66 -0.06 0.40 -4.11 0.00 0.00 178.44 176.35 1vpu h ILE 43 N 0.15 0.77 -0.10 0.15 1.08 -1.40 0.31 117.51 118.47 1vpu h ILE 43 Ca -0.24 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1vpu h ILE 43 Cb 2.13 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.64 1vpu h ILE 43 CO 0.27 0.00 0.00 -0.67 -0.69 0.00 0.00 178.15 177.06 1vpu n ASP 44 N -5.21 0.92 -0.10 1.72 -0.08 -0.07 -2.89 116.55 110.84 1vpu n ASP 44 Ca -0.02 -1.63 -0.13 0.00 -1.51 0.00 0.00 54.79 51.50 1vpu n ASP 44 Cb 0.14 -0.07 -0.05 0.00 2.34 0.00 0.00 41.12 43.49 1vpu n ASP 44 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1vpu n ARG 45 N -0.15 0.53 -0.11 -0.67 0.63 -0.35 -4.31 116.66 112.23 1vpu n ARG 45 Ca 0.14 0.29 0.23 0.00 -0.92 0.00 0.00 57.85 57.59 1vpu n ARG 45 Cb 0.20 -1.50 0.67 0.00 0.45 0.00 0.00 32.46 32.28 1vpu n ARG 45 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1vpu h ILE 46 N -1.00 0.66 -0.58 5.15 5.03 -0.55 -0.64 117.51 125.58 1vpu h ILE 46 Ca -0.15 -0.02 0.14 0.00 -0.12 0.00 0.00 64.86 64.71 1vpu h ILE 46 Cb 1.05 0.58 -0.03 0.00 -3.03 0.00 0.00 36.82 35.40 1vpu h ILE 46 CO -0.09 0.01 0.40 0.00 -0.68 0.00 0.00 178.15 177.79 1vpu h THR 47 N 0.07 0.77 0.00 -0.27 1.03 -1.72 -1.14 112.91 111.66 1vpu h THR 47 Ca 0.35 -0.05 -0.02 0.00 -0.01 0.00 0.00 66.41 66.69 1vpu h THR 47 Cb 1.31 0.63 -0.00 0.00 -1.07 0.00 0.00 68.15 69.01 1vpu h THR 47 CO -0.03 0.02 -0.07 1.05 -0.01 0.00 0.00 175.52 176.48 1vpu h GLU 48 N 0.13 0.00 -0.18 0.00 4.11 -1.33 1.28 114.58 118.59 1vpu h GLU 48 Ca 0.28 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.62 1vpu h GLU 48 Cb 0.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1vpu h GLU 48 CO -0.04 0.07 -0.27 0.07 0.07 0.00 0.00 179.01 178.91 1vpu h ARG 49 N 0.00 0.34 0.00 1.06 0.11 -1.39 -3.25 114.38 111.25 1vpu h ARG 49 Ca -0.00 -0.12 -0.29 0.00 0.10 0.00 0.00 59.98 59.67 1vpu h ARG 49 Cb 0.21 -0.02 -0.05 0.00 1.11 0.00 0.00 29.97 31.21 1vpu h ARG 49 CO 0.01 0.59 -2.09 0.00 0.10 0.00 0.00 179.97 178.58 1vpu n ALA 50 N -2.48 1.61 -0.60 0.08 0.00 -0.89 -5.00 120.51 113.23 1vpu n ALA 50 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1vpu n ALA 50 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1vpu n ALA 50 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vpu n GLU 51 N -2.61 -0.36 0.08 0.00 0.28 0.43 -4.80 120.64 113.66 1vpu n GLU 51 Ca -0.26 0.09 -0.12 0.00 -0.16 0.00 0.00 57.16 56.70 1vpu n GLU 51 Cb 1.01 -4.56 -0.08 0.00 1.43 0.00 0.00 31.44 29.24 1vpu n GLU 51 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 1vpu h ASP 52 N 0.00 -0.20 0.17 -1.84 3.04 -1.94 -0.82 116.42 114.83 1vpu h ASP 52 Ca 0.00 -0.31 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 1vpu h ASP 52 Cb 0.18 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 1vpu h ASP 52 CO 0.00 0.25 0.00 -1.20 -2.04 0.00 0.00 179.24 176.25 1vpu n SER 53 N -4.99 0.13 -0.08 4.15 7.64 -1.26 -0.57 113.62 118.64 1vpu n SER 53 Ca -0.09 0.55 -0.12 0.00 1.01 0.00 0.00 58.87 60.22 1vpu n SER 53 Cb 0.26 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 1vpu n SER 53 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1vpu h GLY 54 N 0.76 0.00 1.42 0.23 0.00 -1.67 -3.39 103.07 100.41 1vpu h GLY 54 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1vpu h GLY 54 CO 0.00 0.00 -0.71 3.45 0.00 0.00 0.00 176.54 179.28 1vpu h ASN 55 N -1.00 0.68 -2.88 0.19 7.08 -1.04 -3.24 115.58 115.37 1vpu h ASN 55 Ca -0.16 -0.43 -0.57 0.00 -3.08 0.00 0.00 56.30 52.06 1vpu h ASN 55 Cb 0.86 -0.20 -0.03 0.00 -2.08 0.00 0.00 38.32 36.87 1vpu h ASN 55 CO -0.10 1.19 1.15 -0.70 -2.08 0.00 0.00 177.43 176.89 1vpu s GLU 56 N -3.74 3.61 0.00 4.14 -6.30 0.27 -4.23 118.70 112.44 1vpu s GLU 56 Ca -0.08 1.39 0.00 0.00 -2.50 0.00 0.00 54.97 53.78 1vpu s GLU 56 Cb 0.10 -4.07 0.00 0.00 0.00 0.00 0.00 34.13 30.16 1vpu s GLU 56 CO 0.86 -1.52 0.00 0.43 0.02 0.00 0.00 175.26 175.05 1vpu n SER 57 N 9.06 0.00 -0.71 -1.70 7.64 -1.26 -4.77 113.62 121.89 1vpu n SER 57 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1vpu n SER 57 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1vpu n SER 57 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1vpu n GLU 58 N 0.00 -1.88 0.00 1.43 2.13 -1.22 -4.72 120.64 116.38 1vpu n GLU 58 Ca 0.00 1.38 0.00 0.00 0.66 0.00 0.00 57.16 59.20 1vpu n GLU 58 Cb 0.00 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.23 1vpu n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vpu n GLY 59 N -0.05 1.65 0.43 8.31 0.00 -1.26 -4.71 105.19 109.56 1vpu n GLY 59 Ca 0.00 -0.08 0.23 0.00 0.00 0.00 0.00 46.02 46.17 1vpu n GLY 59 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1vpu h ASP 60 N 0.00 0.24 -0.70 1.61 3.58 -1.93 0.25 116.42 119.47 1vpu h ASP 60 Ca 0.00 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 1vpu h ASP 60 Cb 0.00 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1vpu h ASP 60 CO 0.00 0.09 0.33 1.56 -2.88 0.00 0.00 179.24 178.34 1vpu h GLN 61 N 0.24 1.01 0.00 0.28 7.50 -1.89 0.23 115.11 122.48 1vpu h GLN 61 Ca 0.46 -0.15 0.00 0.00 0.50 0.00 0.00 58.65 59.46 1vpu h GLN 61 Cb 1.43 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.77 1vpu h GLN 61 CO -0.12 0.80 0.05 1.49 -1.50 0.00 0.00 178.83 179.55 1vpu h GLU 62 N 0.98 0.00 0.00 1.46 4.57 -0.81 -1.06 114.58 119.73 1vpu h GLU 62 Ca 0.24 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.21 1vpu h GLU 62 Cb 0.12 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1vpu h GLU 62 CO -0.03 0.00 -1.75 -1.91 -1.18 0.00 0.00 179.01 174.14 1vpu n GLU 63 N -2.82 0.31 0.13 1.92 2.13 -0.52 -4.70 120.64 117.09 1vpu n GLU 63 Ca -0.02 0.10 0.13 0.00 0.66 0.00 0.00 57.16 58.02 1vpu n GLU 63 Cb 0.11 -1.14 0.30 0.00 0.27 0.00 0.00 31.44 30.98 1vpu n GLU 63 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1vpu h LEU 64 N -0.22 0.00 -0.34 4.31 4.07 -0.60 -3.40 115.31 119.12 1vpu h LEU 64 Ca -0.32 -0.03 0.12 0.00 0.08 0.00 0.00 57.88 57.74 1vpu h LEU 64 Cb 1.38 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.06 1vpu h LEU 64 CO -0.12 0.01 0.10 -0.24 -1.08 0.00 0.00 178.44 177.12 1vpu n SER 65 N -2.49 0.05 -0.14 -0.43 2.88 -0.40 -1.06 113.62 112.03 1vpu n SER 65 Ca 0.05 0.58 -0.04 0.00 -1.33 0.00 0.00 58.87 58.13 1vpu n SER 65 Cb 0.46 -0.25 0.03 0.00 -0.75 0.00 0.00 64.21 63.71 1vpu n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vpu h ALA 66 N 0.69 0.33 0.00 -1.46 0.00 -1.87 -3.37 119.26 113.58 1vpu h ALA 66 Ca 0.25 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1vpu h ALA 66 Cb 0.62 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1vpu h ALA 66 CO -0.29 -0.44 -0.69 1.28 0.00 0.00 0.00 179.25 179.11 1vpu n LEU 67 N -5.31 1.63 -3.30 0.00 4.77 -0.22 -5.07 117.00 109.50 1vpu n LEU 67 Ca 0.04 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 1vpu n LEU 67 Cb 0.25 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1vpu n LEU 67 CO 0.13 -0.41 0.06 0.52 -1.33 0.00 0.00 177.39 176.36 1vpu n VAL 68 N -4.12 -7.61 0.41 4.08 0.31 -0.83 -4.93 118.33 105.64 1vpu n VAL 68 Ca -0.10 0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.39 1vpu n VAL 68 Cb 0.36 -5.43 0.12 0.00 -0.91 0.00 0.00 33.84 27.98 1vpu n VAL 68 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1vpu h GLU 69 N 0.66 0.00 -5.25 5.55 9.09 -1.97 -3.22 114.58 119.44 1vpu h GLU 69 Ca -0.25 0.00 -0.47 0.00 0.05 0.00 0.00 59.36 58.68 1vpu h GLU 69 Cb 1.17 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.24 1vpu h GLU 69 CO 0.30 0.00 1.61 -2.13 0.05 0.00 0.00 179.01 178.84 1vpu n ARG 70 N -2.34 1.88 -2.94 1.06 0.63 -1.26 -3.94 116.66 109.75 1vpu n ARG 70 Ca 0.02 -2.46 -0.19 0.00 -0.92 0.00 0.00 57.85 54.30 1vpu n ARG 70 Cb 0.48 -3.50 0.03 0.00 0.45 0.00 0.00 32.46 29.92 1vpu n ARG 70 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vpu n GLY 71 N 5.37 -0.31 3.80 5.14 0.00 -1.26 -3.87 105.19 114.06 1vpu n GLY 71 Ca 0.47 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 1vpu n GLY 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1vpu n HIS 72 N -4.33 -0.55 0.00 1.61 1.44 -1.22 -4.86 115.22 107.31 1vpu n HIS 72 Ca -0.08 0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 1vpu n HIS 72 Cb 0.60 -1.13 0.00 0.00 0.12 0.00 0.00 29.99 29.57 1vpu n HIS 72 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1vpu n LEU 73 N -2.63 0.00 0.00 2.39 7.99 -1.25 -1.44 117.00 122.06 1vpu n LEU 73 Ca -0.06 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 55.96 1vpu n LEU 73 Cb 0.24 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.54 1vpu n LEU 73 CO 0.31 -0.26 -0.03 0.00 -1.51 0.00 0.00 177.39 175.91 1vpu n ALA 74 N -3.00 -0.39 0.20 -1.18 0.00 -1.26 -2.29 120.51 112.59 1vpu n ALA 74 Ca 0.00 0.05 0.18 0.00 0.00 0.00 0.00 53.44 53.67 1vpu n ALA 74 Cb 0.00 -0.13 0.82 0.00 0.00 0.00 0.00 19.45 20.14 1vpu n ALA 74 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1vpu h PRO 75 N 0.00 0.00 -0.37 0.00 0.13 -1.93 0.84 132.00 130.67 1vpu h PRO 75 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1vpu h PRO 75 Cb 0.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1vpu h PRO 75 CO 0.00 0.00 0.24 -1.49 -0.23 0.00 0.00 178.00 176.52 1vpu h TRP 76 N 0.00 0.48 0.75 1.56 -0.00 -1.82 0.38 115.95 117.30 1vpu h TRP 76 Ca 0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.96 1vpu h TRP 76 Cb 0.71 -0.16 0.01 0.00 -0.00 0.00 0.00 29.16 29.71 1vpu h TRP 76 CO 0.00 0.33 -0.36 0.22 -0.00 0.00 0.00 178.44 178.63 1vpu h ASP 77 N 0.50 -0.85 -0.74 -3.49 3.58 0.33 -0.34 116.42 115.42 1vpu h ASP 77 Ca 0.14 0.01 0.14 0.00 0.42 0.00 0.00 57.03 57.74 1vpu h ASP 77 Cb -0.03 0.22 -0.10 0.00 1.72 0.00 0.00 39.33 41.14 1vpu h ASP 77 CO -0.03 -0.54 0.26 0.58 -2.88 0.00 0.00 179.24 176.63 1vpu h VAL 78 N -1.11 0.63 -0.43 2.25 2.07 -1.22 0.35 116.25 118.79 1vpu h VAL 78 Ca -0.10 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1vpu h VAL 78 Cb 0.79 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1vpu h VAL 78 CO 0.17 0.07 0.04 -0.78 0.02 0.00 0.00 177.57 177.09 1vpu h ASP 79 N 0.39 0.72 0.34 0.57 3.58 -0.16 -3.21 116.42 118.65 1vpu h ASP 79 Ca 0.41 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1vpu h ASP 79 Cb 0.63 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1vpu h ASP 79 CO -0.42 0.82 -0.16 0.44 -2.88 0.00 0.00 179.24 177.04 1vpu h ASP 80 N 0.59 -0.39 0.00 2.28 3.32 0.13 -3.51 116.42 118.85 1vpu h ASP 80 Ca 0.13 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vpu h ASP 80 Cb 0.43 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1vpu h ASP 80 CO 0.01 -0.08 0.00 -0.11 -1.72 0.00 0.00 179.24 177.35