#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpu s GLN 38 N 0.00 0.37 0.00 1.96 -0.21 -1.26 -5.08 119.66 115.44 1vpu s GLN 38 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.10 1vpu s GLN 38 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 33.01 34.01 1vpu s GLN 38 CO 0.00 -0.48 0.00 -0.89 -2.12 0.00 0.00 175.29 171.80 1vpu n ILE 39 N 3.15 0.00 -0.25 1.08 2.08 -1.26 -4.07 119.36 120.09 1vpu n ILE 39 Ca 0.10 0.00 0.32 0.00 0.56 0.00 0.00 62.75 63.74 1vpu n ILE 39 Cb 0.63 0.00 0.74 0.00 -0.75 0.00 0.00 39.64 40.25 1vpu n ILE 39 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1vpu h ASP 40 N 0.00 0.00 -0.93 4.38 2.03 -1.96 -0.16 116.42 119.78 1vpu h ASP 40 Ca 0.00 0.00 0.25 0.00 -0.73 0.00 0.00 57.03 56.55 1vpu h ASP 40 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 1vpu h ASP 40 CO 0.00 0.00 0.65 0.03 -1.03 0.00 0.00 179.24 178.89 1vpu h ARG 41 N 0.00 0.14 -0.19 4.15 2.47 -1.88 -0.68 114.38 118.38 1vpu h ARG 41 Ca 0.50 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 59.17 1vpu h ARG 41 Cb 2.04 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 30.33 1vpu h ARG 41 CO -0.01 0.09 -0.02 1.37 0.56 0.00 0.00 179.97 181.96 1vpu h LEU 42 N 0.14 0.36 -0.50 3.04 -0.00 -1.16 0.49 115.31 117.68 1vpu h LEU 42 Ca 0.46 -0.34 0.10 0.00 -0.00 0.00 0.00 57.88 58.10 1vpu h LEU 42 Cb 1.59 -0.10 -0.10 0.00 -0.00 0.00 0.00 40.66 42.05 1vpu h LEU 42 CO -0.08 0.61 -0.22 0.40 -0.00 0.00 0.00 178.44 179.16 1vpu h ILE 43 N 0.09 0.34 0.00 0.15 2.04 -1.27 0.58 117.51 119.44 1vpu h ILE 43 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1vpu h ILE 43 Cb 0.45 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1vpu h ILE 43 CO 0.01 0.00 0.00 -0.78 0.00 0.00 0.00 178.15 177.38 1vpu h ASP 44 N -0.10 0.00 0.06 1.72 1.82 -1.46 -1.37 116.42 117.08 1vpu h ASP 44 Ca 0.23 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.87 1vpu h ASP 44 Cb 0.47 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1vpu h ASP 44 CO -0.57 0.00 -0.03 -0.09 -1.61 0.00 0.00 179.24 176.94 1vpu h ARG 45 N 0.00 -0.08 -0.38 0.28 2.43 0.15 -3.05 114.38 113.74 1vpu h ARG 45 Ca 0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1vpu h ARG 45 Cb 0.92 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1vpu h ARG 45 CO 0.00 0.50 0.09 0.82 -1.51 0.00 0.00 179.97 179.87 1vpu h ILE 46 N -0.75 1.22 -0.52 1.20 5.03 -0.00 -2.76 117.51 120.93 1vpu h ILE 46 Ca -0.01 -0.76 0.15 0.00 -0.12 0.00 0.00 64.86 64.12 1vpu h ILE 46 Cb 0.61 1.01 -0.02 0.00 -3.03 0.00 0.00 36.82 35.39 1vpu h ILE 46 CO 0.01 0.26 0.39 0.00 -0.68 0.00 0.00 178.15 178.14 1vpu h THR 47 N 0.46 0.68 -0.23 -0.27 1.03 -1.31 -0.68 112.91 112.59 1vpu h THR 47 Ca 0.12 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.59 1vpu h THR 47 Cb 0.30 0.72 -0.01 0.00 -1.07 0.00 0.00 68.15 68.10 1vpu h THR 47 CO 0.00 0.00 0.23 -0.33 -0.01 0.00 0.00 175.52 175.41 1vpu h GLU 48 N 0.00 0.00 -0.12 0.00 5.08 -1.37 0.49 114.58 118.66 1vpu h GLU 48 Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1vpu h GLU 48 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1vpu h GLU 48 CO -0.00 0.00 0.01 0.07 -1.00 0.00 0.00 179.01 178.09 1vpu h ARG 49 N 0.00 0.16 0.00 2.33 0.11 -1.28 -3.05 114.38 112.65 1vpu h ARG 49 Ca 0.11 -0.02 -0.23 0.00 0.10 0.00 0.00 59.98 59.95 1vpu h ARG 49 Cb 0.57 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 31.57 1vpu h ARG 49 CO -0.00 0.17 -1.97 0.00 0.10 0.00 0.00 179.97 178.28 1vpu n ALA 50 N -2.51 1.79 -0.99 0.08 0.00 -0.12 -5.00 120.51 113.76 1vpu n ALA 50 Ca -0.01 -0.88 -0.05 0.00 0.00 0.00 0.00 53.44 52.49 1vpu n ALA 50 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.47 -1.77 -0.05 0.00 0.28 0.15 -4.82 120.64 111.97 1vpu n GLU 51 Ca -0.21 0.56 -0.12 0.00 -0.16 0.00 0.00 57.16 57.23 1vpu n GLU 51 Cb 0.89 -4.65 -0.07 0.00 1.43 0.00 0.00 31.44 29.04 1vpu n GLU 51 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1vpu h ASP 52 N 0.00 0.27 -0.88 -1.84 5.19 -1.92 -3.12 116.42 114.12 1vpu h ASP 52 Ca -0.11 -0.41 0.22 0.00 -0.62 0.00 0.00 57.03 56.12 1vpu h ASP 52 Cb 0.84 -0.07 -0.16 0.00 0.18 0.00 0.00 39.33 40.11 1vpu h ASP 52 CO 0.16 0.62 0.03 0.28 -3.12 0.00 0.00 179.24 177.21 1vpu h SER 53 N -0.07 -0.39 -0.98 6.45 0.02 -1.87 0.01 113.55 116.71 1vpu h SER 53 Ca 0.03 0.24 0.22 0.00 -0.84 0.00 0.00 61.79 61.44 1vpu h SER 53 Cb 0.51 0.41 -0.09 0.00 0.14 0.00 0.00 62.40 63.37 1vpu h SER 53 CO 0.02 -0.26 0.63 1.23 -1.14 0.00 0.00 176.83 177.31 1vpu h GLY 54 N 0.07 1.23 0.34 -3.77 0.00 -1.80 0.32 103.07 99.46 1vpu h GLY 54 Ca 0.51 -0.24 -0.37 0.00 0.00 0.00 0.00 47.33 47.23 1vpu h GLY 54 CO -0.79 -0.07 -2.18 -2.01 0.00 0.00 0.00 176.54 171.50 1vpu n ASN 55 N -4.62 2.06 0.31 0.19 5.15 -0.14 -2.66 115.26 115.55 1vpu n ASN 55 Ca 0.23 0.08 -0.15 0.00 -0.60 0.00 0.00 54.58 54.14 1vpu n ASN 55 Cb 0.73 -0.69 -0.07 0.00 -0.53 0.00 0.00 39.78 39.22 1vpu n ASN 55 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1vpu h GLU 56 N -0.02 -0.77 -0.00 1.20 3.07 -0.84 -3.38 114.58 113.83 1vpu h GLU 56 Ca -0.49 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1vpu h GLU 56 Cb 1.95 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 30.03 1vpu h GLU 56 CO -0.00 -0.46 -0.26 0.43 -1.40 0.00 0.00 179.01 177.31 1vpu n SER 57 N -5.34 0.34 0.00 1.42 7.64 0.20 -5.07 113.62 112.81 1vpu n SER 57 Ca -0.11 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1vpu n SER 57 Cb 0.34 0.95 0.00 0.00 -1.01 0.00 0.00 64.21 64.50 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 -1.07 0.00 0.01 1.43 2.13 0.87 -0.83 120.64 123.18 1vpu n GLU 58 Ca 0.01 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.96 1vpu n GLU 58 Cb 0.09 0.00 0.48 0.00 0.27 0.00 0.00 31.44 32.28 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 0.00 -1.44 0.37 8.31 0.00 -1.26 -3.92 105.19 107.25 1vpu n GLY 59 Ca 0.00 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 0.40 1.09 1.61 3.58 -1.37 0.04 116.42 121.78 1vpu h ASP 60 Ca 0.00 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1vpu h ASP 60 Cb 0.53 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 1vpu h ASP 60 CO 0.00 0.23 -0.07 1.56 -2.88 0.00 0.00 179.24 178.08 1vpu h GLN 61 N 0.44 0.00 0.00 0.28 4.20 -1.76 0.24 115.11 118.51 1vpu h GLN 61 Ca 0.33 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.82 1vpu h GLN 61 Cb 0.69 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 1vpu h GLN 61 CO -0.10 0.07 -2.02 -0.85 -0.67 0.00 0.00 178.83 175.25 1vpu n GLU 62 N -3.18 1.19 -0.07 1.46 0.28 -0.16 -4.30 120.64 115.85 1vpu n GLU 62 Ca 0.01 -0.04 -0.08 0.00 -0.16 0.00 0.00 57.16 56.89 1vpu n GLU 62 Cb 0.36 -1.41 -0.10 0.00 1.43 0.00 0.00 31.44 31.72 1vpu n GLU 62 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1vpu n GLU 63 N -2.48 1.50 -0.07 3.44 4.71 -0.28 -4.80 120.64 122.66 1vpu n GLU 63 Ca -0.21 0.02 -0.07 0.00 -0.01 0.00 0.00 57.16 56.89 1vpu n GLU 63 Cb 0.89 -1.35 -0.10 0.00 -1.01 0.00 0.00 31.44 29.87 1vpu n GLU 63 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1vpu n LEU 64 N -2.61 0.57 -0.36 -4.62 4.32 -0.41 -4.64 117.00 109.25 1vpu n LEU 64 Ca -0.24 -0.02 0.27 0.00 -0.02 0.00 0.00 56.01 56.01 1vpu n LEU 64 Cb 0.92 0.14 0.55 0.00 -1.62 0.00 0.00 43.42 43.41 1vpu n LEU 64 CO 0.26 0.40 1.21 0.28 -1.22 0.00 0.00 177.39 178.33 1vpu h SER 65 N 0.00 0.39 -0.58 -1.43 0.02 -0.77 0.42 113.55 111.61 1vpu h SER 65 Ca -0.35 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1vpu h SER 65 Cb 1.74 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 64.31 1vpu h SER 65 CO 0.00 -0.02 0.26 0.00 -1.14 0.00 0.00 176.83 175.93 1vpu h ALA 66 N 1.64 1.30 0.04 3.77 0.00 -1.84 -3.28 119.26 120.89 1vpu h ALA 66 Ca 0.68 -0.15 -0.38 0.00 0.00 0.00 0.00 54.91 55.06 1vpu h ALA 66 Cb 1.85 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 1vpu h ALA 66 CO -0.37 0.52 -2.23 1.28 0.00 0.00 0.00 179.25 178.45 1vpu n LEU 67 N -4.33 2.64 -3.42 0.00 4.77 -0.14 -4.59 117.00 111.93 1vpu n LEU 67 Ca 0.05 0.08 -0.37 0.00 -0.03 0.00 0.00 56.01 55.74 1vpu n LEU 67 Cb 0.16 -0.97 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 1vpu n LEU 67 CO 0.39 0.81 2.96 0.52 -1.33 0.00 0.00 177.39 180.74 1vpu n VAL 68 N -3.56 3.60 0.00 4.08 0.31 0.13 -4.72 118.33 118.17 1vpu n VAL 68 Ca -0.41 -2.43 0.00 0.00 -0.01 0.00 0.00 64.34 61.48 1vpu n VAL 68 Cb 0.97 -2.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1vpu n VAL 68 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1vpu n GLU 69 N 4.59 0.00 -1.35 5.55 -0.00 -1.26 -4.51 120.64 123.67 1vpu n GLU 69 Ca 0.64 0.46 -0.54 0.00 -0.00 0.00 0.00 57.16 57.71 1vpu n GLU 69 Cb 0.27 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 30.10 1vpu n GLU 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1vpu n ARG 70 N -1.45 0.36 -1.12 3.44 0.63 -1.26 0.22 116.66 117.46 1vpu n ARG 70 Ca 0.00 0.09 -0.04 0.00 -0.92 0.00 0.00 57.85 56.98 1vpu n ARG 70 Cb 0.00 -1.85 -0.02 0.00 0.45 0.00 0.00 32.46 31.05 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 7.06 0.45 3.91 5.14 0.00 -1.26 -3.21 105.19 117.27 1vpu n GLY 71 Ca 0.52 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 1vpu n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vpu n HIS 72 N -2.17 -2.11 -1.44 1.61 8.25 0.13 -4.81 115.22 114.68 1vpu n HIS 72 Ca -0.04 0.87 -0.53 0.00 -0.26 0.00 0.00 57.72 57.75 1vpu n HIS 72 Cb 0.49 -3.94 -0.08 0.00 1.12 0.00 0.00 29.99 27.58 1vpu n HIS 72 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1vpu n LEU 73 N -4.55 1.89 0.00 2.41 -0.00 -1.20 -4.73 117.00 110.83 1vpu n LEU 73 Ca -0.06 0.56 -0.00 0.00 -0.00 0.00 0.00 56.01 56.51 1vpu n LEU 73 Cb 0.57 -1.17 0.00 0.00 -0.00 0.00 0.00 43.42 42.82 1vpu n LEU 73 CO 0.75 -0.69 0.13 0.00 -0.00 0.00 0.00 177.39 177.57 1vpu n ALA 74 N 8.78 -0.41 -0.12 1.47 0.00 -1.26 -4.82 120.51 124.14 1vpu n ALA 74 Ca 0.42 -0.13 0.24 0.00 0.00 0.00 0.00 53.44 53.98 1vpu n ALA 74 Cb 0.16 0.06 0.69 0.00 0.00 0.00 0.00 19.45 20.35 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 0.05 -0.76 0.00 0.13 -1.89 -0.04 132.00 129.49 1vpu h PRO 75 Ca -0.03 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.17 1vpu h PRO 75 Cb 0.16 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.23 1vpu h PRO 75 CO 0.05 0.03 0.50 0.11 -0.23 0.00 0.00 178.00 178.46 1vpu h TRP 76 N 0.05 0.79 0.06 1.56 0.09 -1.94 0.50 115.95 117.06 1vpu h TRP 76 Ca 0.37 0.02 -0.00 0.00 0.09 0.00 0.00 58.89 59.37 1vpu h TRP 76 Cb 1.40 -0.26 0.00 0.00 0.08 0.00 0.00 29.16 30.38 1vpu h TRP 76 CO -0.00 0.40 -0.03 -0.44 0.09 0.00 0.00 178.44 178.46 1vpu h ASP 77 N 0.76 -0.07 -0.40 0.11 5.19 -1.29 -0.23 116.42 120.49 1vpu h ASP 77 Ca 0.33 -0.52 0.06 0.00 -0.62 0.00 0.00 57.03 56.29 1vpu h ASP 77 Cb 0.31 0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.79 1vpu h ASP 77 CO -0.12 0.53 0.07 0.58 -3.12 0.00 0.00 179.24 177.18 1vpu h VAL 78 N -0.72 0.78 0.62 -1.35 2.07 -1.27 -2.91 116.25 113.48 1vpu h VAL 78 Ca -0.01 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1vpu h VAL 78 Cb 0.59 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1vpu h VAL 78 CO 0.01 0.04 -0.30 0.44 0.02 0.00 0.00 177.57 177.78 1vpu h ASP 79 N 0.20 -0.71 -0.33 0.57 5.19 -0.07 -3.27 116.42 117.99 1vpu h ASP 79 Ca 0.19 -0.02 -0.69 0.00 -0.62 0.00 0.00 57.03 55.89 1vpu h ASP 79 Cb 0.24 0.18 -0.05 0.00 0.18 0.00 0.00 39.33 39.88 1vpu h ASP 79 CO -0.26 -0.41 2.73 0.47 -3.12 0.00 0.00 179.24 178.65 1vpu n ASP 80 N -5.39 4.22 0.00 6.45 9.92 -0.10 -5.08 116.55 126.56 1vpu n ASP 80 Ca -0.12 -2.86 0.00 0.00 -0.53 0.00 0.00 54.79 51.27 1vpu n ASP 80 Cb 0.36 -1.68 0.00 0.00 -0.64 0.00 0.00 41.12 39.16 1vpu n ASP 80 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22