#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 2.46 0.01 3.23 0.00 -1.26 -4.47 117.38 117.34 1vpu n GLN 38 Ca 0.00 -2.52 -0.01 0.00 0.00 0.00 0.00 57.00 54.47 1vpu n GLN 38 Cb 0.00 -3.27 -0.00 0.00 0.00 0.00 0.00 30.24 26.96 1vpu n GLN 38 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1vpu n ILE 39 N 5.80 0.80 0.28 -0.39 5.41 -1.26 -4.68 119.36 125.32 1vpu n ILE 39 Ca 0.50 0.26 0.18 0.00 1.00 0.00 0.00 62.75 64.69 1vpu n ILE 39 Cb 0.41 -1.54 0.88 0.00 -0.71 0.00 0.00 39.64 38.68 1vpu n ILE 39 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1vpu h ASP 40 N -0.17 0.00 -0.19 4.38 2.03 -1.93 -1.26 116.42 119.28 1vpu h ASP 40 Ca 0.00 0.00 0.06 0.00 -0.73 0.00 0.00 57.03 56.36 1vpu h ASP 40 Cb 0.17 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.66 1vpu h ASP 40 CO 0.00 0.00 0.23 0.03 -1.03 0.00 0.00 179.24 178.47 1vpu h ARG 41 N 0.00 0.00 -0.27 4.15 2.47 -1.88 -0.79 114.38 118.06 1vpu h ARG 41 Ca 0.04 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 1vpu h ARG 41 Cb 0.59 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 1vpu h ARG 41 CO -0.00 0.00 0.01 1.37 0.56 0.00 0.00 179.97 181.91 1vpu h LEU 42 N 0.00 0.46 -0.51 3.04 -0.00 -1.54 -0.81 115.31 115.96 1vpu h LEU 42 Ca 0.09 -0.30 0.08 0.00 -0.00 0.00 0.00 57.88 57.75 1vpu h LEU 42 Cb 0.54 -0.12 -0.06 0.00 -0.00 0.00 0.00 40.66 41.02 1vpu h LEU 42 CO -0.00 0.65 0.15 0.40 -0.00 0.00 0.00 178.44 179.64 1vpu h ILE 43 N 0.26 0.78 0.00 0.15 1.08 -1.33 0.18 117.51 118.62 1vpu h ILE 43 Ca 0.08 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1vpu h ILE 43 Cb 0.41 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1vpu h ILE 43 CO 0.01 0.06 0.00 -0.67 -0.69 0.00 0.00 178.15 176.86 1vpu n ASP 44 N -5.04 0.00 -0.10 1.72 -0.08 -1.09 -2.89 116.55 109.07 1vpu n ASP 44 Ca 0.06 -0.11 -0.20 0.00 -1.51 0.00 0.00 54.79 53.02 1vpu n ASP 44 Cb 0.22 -0.28 -0.11 0.00 2.34 0.00 0.00 41.12 43.29 1vpu n ASP 44 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1vpu h ARG 45 N 0.00 0.00 0.00 -0.67 2.43 0.74 -3.35 114.38 113.54 1vpu h ARG 45 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1vpu h ARG 45 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1vpu h ARG 45 CO 0.00 0.94 0.00 0.82 -1.51 0.00 0.00 179.97 180.22 1vpu h ILE 46 N -1.00 0.00 -0.02 1.20 5.03 -0.92 -2.41 117.51 119.38 1vpu h ILE 46 Ca -0.29 -0.13 -0.20 0.00 -0.12 0.00 0.00 64.86 64.11 1vpu h ILE 46 Cb 1.22 0.86 -0.00 0.00 -3.03 0.00 0.00 36.82 35.87 1vpu h ILE 46 CO -0.18 0.00 -0.85 0.00 -0.68 0.00 0.00 178.15 176.44 1vpu h THR 47 N 0.00 1.43 -0.86 -0.27 1.03 -1.66 -3.28 112.91 109.30 1vpu h THR 47 Ca 0.00 -2.41 0.15 0.00 -0.01 0.00 0.00 66.41 64.14 1vpu h THR 47 Cb 0.17 2.34 -0.07 0.00 -1.07 0.00 0.00 68.15 69.53 1vpu h THR 47 CO 0.00 0.71 0.56 -0.33 -0.01 0.00 0.00 175.52 176.45 1vpu h GLU 48 N 0.20 0.59 -0.26 0.00 5.08 -1.57 0.66 114.58 119.29 1vpu h GLU 48 Ca -0.05 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1vpu h GLU 48 Cb 1.47 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1vpu h GLU 48 CO 0.14 0.39 0.18 0.07 -1.00 0.00 0.00 179.01 178.79 1vpu h ARG 49 N 0.61 0.12 0.01 2.33 0.11 -1.72 -1.96 114.38 113.87 1vpu h ARG 49 Ca 0.43 -0.01 -0.34 0.00 0.10 0.00 0.00 59.98 60.16 1vpu h ARG 49 Cb 0.79 -0.03 -0.06 0.00 1.11 0.00 0.00 29.97 31.78 1vpu h ARG 49 CO -0.19 0.08 -2.11 0.00 0.10 0.00 0.00 179.97 177.85 1vpu n ALA 50 N -2.56 1.43 -0.84 0.08 0.00 0.00 -4.99 120.51 113.64 1vpu n ALA 50 Ca 0.02 -1.03 -0.00 0.00 0.00 0.00 0.00 53.44 52.44 1vpu n ALA 50 Cb 0.25 -0.47 -0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.99 -2.00 0.10 0.00 0.28 0.21 -4.81 120.64 111.44 1vpu n GLU 51 Ca -0.28 0.42 0.03 0.00 -0.16 0.00 0.00 57.16 57.17 1vpu n GLU 51 Cb 1.09 -4.59 0.40 0.00 1.43 0.00 0.00 31.44 29.77 1vpu n GLU 51 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1vpu h ASP 52 N 0.00 0.26 -1.10 -1.84 1.82 -1.82 -2.22 116.42 111.52 1vpu h ASP 52 Ca -0.00 -0.04 0.33 0.00 -0.39 0.00 0.00 57.03 56.93 1vpu h ASP 52 Cb 0.84 -0.07 -0.12 0.00 0.68 0.00 0.00 39.33 40.66 1vpu h ASP 52 CO 0.00 0.37 0.68 0.28 -1.61 0.00 0.00 179.24 178.96 1vpu h SER 53 N 0.27 0.43 -0.88 2.28 0.02 -1.86 0.35 113.55 114.17 1vpu h SER 53 Ca 0.06 0.14 0.15 0.00 -0.84 0.00 0.00 61.79 61.30 1vpu h SER 53 Cb 0.29 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 62.82 1vpu h SER 53 CO 0.01 -0.06 0.47 1.23 -1.14 0.00 0.00 176.83 177.34 1vpu h GLY 54 N 0.30 1.46 0.00 -3.77 0.00 -1.78 -2.28 103.07 97.00 1vpu h GLY 54 Ca 0.71 -0.27 -0.37 0.00 0.00 0.00 0.00 47.33 47.40 1vpu h GLY 54 CO -0.44 -0.04 -2.38 -2.01 0.00 0.00 0.00 176.54 171.66 1vpu n ASN 55 N -4.85 0.81 -4.46 0.19 5.15 -0.07 -4.49 115.26 107.54 1vpu n ASN 55 Ca 0.18 -0.05 -0.36 0.00 -0.60 0.00 0.00 54.58 53.75 1vpu n ASN 55 Cb 0.46 0.49 -0.03 0.00 -0.53 0.00 0.00 39.78 40.17 1vpu n ASN 55 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1vpu n GLU 56 N -2.91 2.35 0.00 1.20 -0.58 -0.13 -4.57 120.64 116.00 1vpu n GLU 56 Ca -0.37 -2.78 0.00 0.00 -0.42 0.00 0.00 57.16 53.60 1vpu n GLU 56 Cb 1.08 -3.55 0.00 0.00 -0.57 0.00 0.00 31.44 28.40 1vpu n GLU 56 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1vpu n SER 57 N 10.85 0.00 -0.71 1.62 2.88 -1.26 -4.77 113.62 122.23 1vpu n SER 57 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1vpu n SER 57 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1vpu n SER 57 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1vpu n GLU 58 N 0.00 -1.35 0.00 -1.46 0.00 -0.87 -4.75 120.64 112.21 1vpu n GLU 58 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 57.16 58.34 1vpu n GLU 58 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 31.44 30.39 1vpu n GLU 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vpu n GLY 59 N 0.17 2.05 0.37 8.31 0.00 -1.26 -4.80 105.19 110.04 1vpu n GLY 59 Ca 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1vpu n GLY 59 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1vpu h ASP 60 N 0.00 0.52 0.13 1.61 2.03 -1.91 0.26 116.42 119.06 1vpu h ASP 60 Ca 0.00 0.03 -0.06 0.00 -0.73 0.00 0.00 57.03 56.27 1vpu h ASP 60 Cb 0.00 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.41 1vpu h ASP 60 CO 0.00 0.27 -0.22 1.56 -1.03 0.00 0.00 179.24 179.82 1vpu h GLN 61 N 0.56 0.17 0.03 4.15 7.50 -1.87 0.67 115.11 126.31 1vpu h GLN 61 Ca 0.40 -0.05 -0.39 0.00 0.50 0.00 0.00 58.65 59.11 1vpu h GLN 61 Cb 0.75 -0.02 -0.06 0.00 0.05 0.00 0.00 27.48 28.21 1vpu h GLN 61 CO -0.16 0.38 -2.31 -0.85 -1.50 0.00 0.00 178.83 174.40 1vpu n GLU 62 N -4.21 0.65 0.11 1.46 0.28 -0.18 -3.98 120.64 114.76 1vpu n GLU 62 Ca -0.01 0.23 0.02 0.00 -0.16 0.00 0.00 57.16 57.24 1vpu n GLU 62 Cb 0.32 -1.57 -0.01 0.00 1.43 0.00 0.00 31.44 31.61 1vpu n GLU 62 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1vpu h GLU 63 N -0.26 0.00 0.00 3.44 3.07 -0.66 -3.44 114.58 116.72 1vpu h GLU 63 Ca -0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.30 1vpu h GLU 63 Cb 1.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.74 1vpu h GLU 63 CO -0.13 0.41 -0.00 1.28 -1.40 0.00 0.00 179.01 179.16 1vpu n LEU 64 N -3.09 0.16 0.00 1.33 4.77 0.07 -5.00 117.00 115.24 1vpu n LEU 64 Ca -0.02 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1vpu n LEU 64 Cb 0.76 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1vpu n LEU 64 CO 0.41 -0.54 0.00 -0.24 -1.33 0.00 0.00 177.39 175.69 1vpu n SER 65 N -2.65 0.00 0.19 -1.43 2.88 0.21 -4.30 113.62 108.52 1vpu n SER 65 Ca -0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1vpu n SER 65 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 0.00 -0.49 0.31 -1.46 0.00 -1.88 -2.29 119.26 113.45 1vpu h ALA 66 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1vpu h ALA 66 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1vpu h ALA 66 CO 0.00 -0.61 -0.15 -0.07 0.00 0.00 0.00 179.25 178.42 1vpu h LEU 67 N -0.81 -0.35 -5.59 0.00 3.38 -1.96 -3.09 115.31 106.88 1vpu h LEU 67 Ca -0.05 -0.11 -0.73 0.00 0.09 0.00 0.00 57.88 57.09 1vpu h LEU 67 Cb 0.53 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.22 1vpu h LEU 67 CO 0.08 -0.10 2.03 0.52 0.09 0.00 0.00 178.44 181.06 1vpu n VAL 68 N -5.19 5.14 -0.00 1.22 0.31 -1.25 -4.60 118.33 113.95 1vpu n VAL 68 Ca -0.10 -4.39 -0.18 0.00 -0.01 0.00 0.00 64.34 59.66 1vpu n VAL 68 Cb 0.24 -1.95 -0.14 0.00 -0.91 0.00 0.00 33.84 31.08 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 1.39 0.73 -3.58 5.55 0.28 -0.86 -4.47 120.64 119.68 1vpu n GLU 69 Ca 0.59 0.27 -0.27 0.00 -0.16 0.00 0.00 57.16 57.59 1vpu n GLU 69 Cb 0.28 -1.73 0.01 0.00 1.43 0.00 0.00 31.44 31.43 1vpu n GLU 69 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1vpu n ARG 70 N -3.37 -4.08 -2.10 3.44 0.63 -1.26 -0.46 116.66 109.45 1vpu n ARG 70 Ca -0.28 0.54 -0.13 0.00 -0.92 0.00 0.00 57.85 57.05 1vpu n ARG 70 Cb 1.05 -5.32 -0.01 0.00 0.45 0.00 0.00 32.46 28.63 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 -1.37 0.09 0.42 5.14 0.00 -1.26 -4.79 105.19 103.42 1vpu n GLY 71 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.78 -0.31 -3.49 1.61 -0.00 0.14 -5.04 115.22 104.35 1vpu n HIS 72 Ca -0.15 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.34 1vpu n HIS 72 Cb 0.59 0.11 -0.02 0.00 -0.00 0.00 0.00 29.99 30.66 1vpu n HIS 72 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 1vpu n LEU 73 N -1.71 -0.98 -3.93 2.41 -0.00 0.39 -4.80 117.00 108.37 1vpu n LEU 73 Ca 0.00 -0.42 -0.01 0.00 -0.00 0.00 0.00 56.01 55.58 1vpu n LEU 73 Cb 0.00 -1.71 0.02 0.00 -0.00 0.00 0.00 43.42 41.72 1vpu n LEU 73 CO 0.00 0.10 0.93 0.00 -0.00 0.00 0.00 177.39 178.42 1vpu s ALA 74 N -2.80 -1.93 0.43 1.47 0.00 -1.26 -4.84 121.76 112.82 1vpu s ALA 74 Ca 0.43 -0.20 0.19 0.00 0.00 0.00 0.00 51.96 52.37 1vpu s ALA 74 Cb -0.24 0.82 1.12 0.00 0.00 0.00 0.00 23.12 24.82 1vpu s ALA 74 CO 0.52 -1.10 1.85 -1.00 0.00 0.00 0.00 175.76 176.03 1vpu h PRO 75 N 2.00 0.36 -0.21 0.00 0.13 -1.90 0.04 132.00 132.42 1vpu h PRO 75 Ca -0.25 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.92 1vpu h PRO 75 Cb 1.20 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1vpu h PRO 75 CO 0.34 0.24 0.23 0.11 -0.23 0.00 0.00 178.00 178.70 1vpu h TRP 76 N 0.37 0.00 -0.03 1.56 0.09 -1.92 0.16 115.95 116.18 1vpu h TRP 76 Ca 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 59.46 1vpu h TRP 76 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.50 1vpu h TRP 76 CO -0.00 0.00 -0.01 0.22 0.09 0.00 0.00 178.44 178.74 1vpu h ASP 77 N 0.00 0.05 -0.85 0.11 3.58 -1.29 -2.83 116.42 115.19 1vpu h ASP 77 Ca 0.10 -0.38 0.11 0.00 0.42 0.00 0.00 57.03 57.29 1vpu h ASP 77 Cb 0.56 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.54 1vpu h ASP 77 CO -0.00 0.42 0.55 0.58 -2.88 0.00 0.00 179.24 177.91 1vpu h VAL 78 N -0.31 0.91 -0.06 2.25 2.07 -0.83 -0.22 116.25 120.05 1vpu h VAL 78 Ca 0.01 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1vpu h VAL 78 Cb 0.39 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1vpu h VAL 78 CO 0.00 0.13 0.23 0.44 0.02 0.00 0.00 177.57 178.39 1vpu h ASP 79 N 0.74 0.00 -0.99 0.57 5.19 -0.93 -2.84 116.42 118.16 1vpu h ASP 79 Ca 0.40 0.00 0.31 0.00 -0.62 0.00 0.00 57.03 57.12 1vpu h ASP 79 Cb 0.55 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.91 1vpu h ASP 79 CO -0.17 0.00 0.54 -0.78 -3.12 0.00 0.00 179.24 175.71 1vpu h ASP 80 N 0.00 0.48 0.00 6.45 1.82 -1.08 -3.52 116.42 120.57 1vpu h ASP 80 Ca 0.03 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1vpu h ASP 80 Cb 0.48 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.63 1vpu h ASP 80 CO -0.00 -0.12 0.00 -0.11 -1.61 0.00 0.00 179.24 177.40