#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 2.93 -1.97 3.23 3.00 -1.26 -4.97 117.38 118.34 1vpu n GLN 38 Ca 0.00 -3.04 -0.40 0.00 -0.01 0.00 0.00 57.00 53.55 1vpu n GLN 38 Cb 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 30.24 28.24 1vpu n GLN 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1vpu s ILE 39 N -3.03 2.42 0.00 5.09 -1.09 -1.26 -1.40 121.20 121.94 1vpu s ILE 39 Ca 0.49 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 1vpu s ILE 39 Cb 0.40 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 1vpu s ILE 39 CO 0.08 0.07 0.00 -0.90 -1.23 0.00 0.00 174.94 172.96 1vpu n ASP 40 N 0.17 0.00 0.00 3.58 5.68 -1.26 -4.55 116.55 120.17 1vpu n ASP 40 Ca 0.03 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.21 1vpu n ASP 40 Cb 0.42 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.34 1vpu n ASP 40 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1vpu h ARG 41 N 0.00 0.10 -0.78 0.11 3.08 -1.81 -2.74 114.38 112.34 1vpu h ARG 41 Ca 0.00 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.19 1vpu h ARG 41 Cb 0.00 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 29.93 1vpu h ARG 41 CO 0.00 0.12 0.32 1.37 -1.07 0.00 0.00 179.97 180.71 1vpu h LEU 42 N 0.05 0.30 -0.46 3.04 -0.00 -1.47 0.13 115.31 116.90 1vpu h LEU 42 Ca 0.03 0.11 0.09 0.00 -0.00 0.00 0.00 57.88 58.11 1vpu h LEU 42 Cb 0.05 0.09 -0.08 0.00 -0.00 0.00 0.00 40.66 40.72 1vpu h LEU 42 CO -0.00 0.10 -0.04 0.40 -0.00 0.00 0.00 178.44 178.90 1vpu h ILE 43 N 0.45 0.61 0.00 0.15 2.04 -1.76 0.60 117.51 119.61 1vpu h ILE 43 Ca 0.44 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1vpu h ILE 43 Cb 0.69 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1vpu h ILE 43 CO -0.42 0.01 -0.08 -0.67 0.00 0.00 0.00 178.15 176.99 1vpu n ASP 44 N -5.25 0.25 -0.07 1.72 2.03 -0.02 -1.35 116.55 113.86 1vpu n ASP 44 Ca 0.04 0.42 -0.08 0.00 0.52 0.00 0.00 54.79 55.68 1vpu n ASP 44 Cb 0.25 -0.45 -0.05 0.00 -0.72 0.00 0.00 41.12 40.15 1vpu n ASP 44 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1vpu h ARG 45 N 0.00 0.00 -0.41 -0.67 2.47 0.90 -3.37 114.38 113.30 1vpu h ARG 45 Ca 0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 1vpu h ARG 45 Cb 0.56 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 1vpu h ARG 45 CO 0.00 0.32 0.09 0.82 0.56 0.00 0.00 179.97 181.76 1vpu h ILE 46 N -1.00 1.19 -1.07 2.04 5.03 0.02 -3.19 117.51 120.52 1vpu h ILE 46 Ca -0.07 -0.68 0.36 0.00 -0.12 0.00 0.00 64.86 64.34 1vpu h ILE 46 Cb 0.61 0.79 -0.15 0.00 -3.03 0.00 0.00 36.82 35.04 1vpu h ILE 46 CO -0.05 0.25 0.63 0.00 -0.68 0.00 0.00 178.15 178.30 1vpu h THR 47 N 0.59 0.23 -0.60 -0.27 1.03 -1.37 -0.15 112.91 112.38 1vpu h THR 47 Ca 0.13 -0.08 0.14 0.00 -0.01 0.00 0.00 66.41 66.60 1vpu h THR 47 Cb 0.24 -0.02 -0.03 0.00 -1.07 0.00 0.00 68.15 67.27 1vpu h THR 47 CO -0.00 0.04 0.41 1.05 -0.01 0.00 0.00 175.52 177.01 1vpu h GLU 48 N 0.23 0.16 -0.48 0.00 4.11 -1.77 1.07 114.58 117.90 1vpu h GLU 48 Ca 0.76 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 60.19 1vpu h GLU 48 Cb 1.93 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 1vpu h GLU 48 CO -0.57 0.11 0.32 0.07 0.07 0.00 0.00 179.01 179.01 1vpu h ARG 49 N 0.17 0.63 0.00 1.06 -0.00 -1.26 -2.75 114.38 112.22 1vpu h ARG 49 Ca 0.29 -0.04 -0.29 0.00 -0.00 0.00 0.00 59.98 59.93 1vpu h ARG 49 Cb 0.90 -0.14 -0.05 0.00 -0.00 0.00 0.00 29.97 30.67 1vpu h ARG 49 CO -0.04 0.41 -2.17 0.00 -0.00 0.00 0.00 179.97 178.17 1vpu n ALA 50 N -2.46 1.71 -1.42 0.08 0.00 -0.19 -4.99 120.51 113.24 1vpu n ALA 50 Ca 0.04 -1.09 -0.14 0.00 0.00 0.00 0.00 53.44 52.25 1vpu n ALA 50 Cb 0.06 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.73 -1.32 -0.10 0.00 0.28 0.35 -4.80 120.64 112.31 1vpu n GLU 51 Ca -0.25 0.85 -0.16 0.00 -0.16 0.00 0.00 57.16 57.44 1vpu n GLU 51 Cb 1.04 -5.12 -0.05 0.00 1.43 0.00 0.00 31.44 28.74 1vpu n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1vpu n ASP 52 N -0.64 1.91 -0.05 -1.84 8.00 -1.26 -4.15 116.55 118.51 1vpu n ASP 52 Ca -0.14 0.33 -0.02 0.00 0.71 0.00 0.00 54.79 55.66 1vpu n ASP 52 Cb 0.47 -0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 1vpu n ASP 52 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1vpu h SER 53 N -0.97 -0.35 -0.97 -2.24 0.02 -1.87 0.15 113.55 107.33 1vpu h SER 53 Ca -0.26 0.05 0.18 0.00 -0.84 0.00 0.00 61.79 60.92 1vpu h SER 53 Cb 1.20 0.15 -0.09 0.00 0.14 0.00 0.00 62.40 63.81 1vpu h SER 53 CO -0.16 -0.05 0.61 1.23 -1.14 0.00 0.00 176.83 177.32 1vpu h GLY 54 N -0.03 1.46 0.98 -3.77 0.00 -1.85 -1.06 103.07 98.79 1vpu h GLY 54 Ca 0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1vpu h GLY 54 CO -0.14 0.00 0.05 -0.57 0.00 0.00 0.00 176.54 175.89 1vpu h ASN 55 N 0.69 0.78 -2.64 0.19 -1.24 -1.35 -2.99 115.58 109.02 1vpu h ASN 55 Ca 0.53 -0.28 -0.55 0.00 0.71 0.00 0.00 56.30 56.71 1vpu h ASN 55 Cb 0.90 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.73 1vpu h ASN 55 CO -0.29 0.86 1.09 -0.70 -1.29 0.00 0.00 177.43 177.10 1vpu s GLU 56 N -5.13 4.10 0.00 6.67 -6.30 0.40 -4.05 118.70 114.38 1vpu s GLU 56 Ca -0.13 2.06 0.00 0.00 -2.50 0.00 0.00 54.97 54.40 1vpu s GLU 56 Cb 0.11 -3.99 0.00 0.00 0.00 0.00 0.00 34.13 30.25 1vpu s GLU 56 CO 0.80 -0.94 0.00 0.43 0.02 0.00 0.00 175.26 175.57 1vpu n SER 57 N 7.42 0.00 -1.01 -1.70 7.64 -1.26 -4.76 113.62 119.94 1vpu n SER 57 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1vpu n SER 57 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.00 0.00 1.43 0.00 -1.13 -4.80 120.64 115.14 1vpu n GLU 58 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 57.16 58.29 1vpu n GLU 58 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 31.44 30.41 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 0.35 2.78 0.29 8.31 0.00 -1.26 -4.87 105.19 110.78 1vpu n GLY 59 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 0.43 0.17 -0.41 1.61 2.03 -1.87 0.51 116.42 118.90 1vpu h ASP 60 Ca 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1vpu h ASP 60 Cb 0.00 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 1vpu h ASP 60 CO 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 179.24 178.33 1vpu n GLN 61 N -4.50 3.29 0.02 4.15 6.02 -1.26 -0.26 117.38 124.84 1vpu n GLN 61 Ca 0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.97 1vpu n GLN 61 Cb 0.14 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 29.52 1vpu n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1vpu n GLU 62 N 0.53 0.00 -0.10 -1.09 4.07 -0.28 -3.68 120.64 120.09 1vpu n GLU 62 Ca 0.18 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 57.05 1vpu n GLU 62 Cb 0.78 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 32.05 1vpu n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1vpu n GLU 63 N -2.60 0.60 0.00 5.31 4.07 0.16 -4.68 120.64 123.51 1vpu n GLU 63 Ca 0.00 0.45 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 1vpu n GLU 63 Cb 0.00 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 1vpu n GLU 63 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1vpu n LEU 64 N -4.21 0.19 0.00 4.31 7.94 -0.95 -4.97 117.00 119.31 1vpu n LEU 64 Ca -0.38 0.73 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 1vpu n LEU 64 Cb 0.79 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1vpu n LEU 64 CO 0.19 -0.41 0.00 -0.24 -1.11 0.00 0.00 177.39 175.82 1vpu n SER 65 N -1.73 -1.59 0.00 1.96 2.88 0.64 -4.74 113.62 111.05 1vpu n SER 65 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1vpu n SER 65 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1vpu n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vpu n ALA 66 N 2.30 0.00 -0.00 -1.46 0.00 -1.26 -3.60 120.51 116.49 1vpu n ALA 66 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1vpu n ALA 66 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1vpu n ALA 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vpu h LEU 67 N 0.00 0.27 -0.67 0.00 3.38 -1.95 -3.32 115.31 113.01 1vpu h LEU 67 Ca 0.00 -0.97 0.12 0.00 0.09 0.00 0.00 57.88 57.12 1vpu h LEU 67 Cb 0.00 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 40.54 1vpu h LEU 67 CO 0.00 1.22 -0.28 0.58 0.09 0.00 0.00 178.44 180.06 1vpu h VAL 68 N -0.64 0.20 0.00 1.22 2.07 -1.87 -0.88 116.25 116.34 1vpu h VAL 68 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1vpu h VAL 68 Cb 1.37 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1vpu h VAL 68 CO 0.09 0.00 0.00 -1.84 0.02 0.00 0.00 177.57 175.84 1vpu n GLU 69 N -5.46 0.08 0.06 1.57 0.00 -1.26 -1.08 120.64 114.56 1vpu n GLU 69 Ca 0.07 0.05 -0.11 0.00 0.00 0.00 0.00 57.16 57.16 1vpu n GLU 69 Cb 0.37 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.24 1vpu n GLU 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1vpu h ARG 70 N 0.00 -0.49 -1.27 3.44 9.65 -1.25 -2.53 114.38 121.93 1vpu h ARG 70 Ca 0.00 0.03 -0.69 0.00 -1.10 0.00 0.00 59.98 58.22 1vpu h ARG 70 Cb 0.40 0.11 -0.30 0.00 -1.39 0.00 0.00 29.97 28.80 1vpu h ARG 70 CO 0.00 -0.33 0.75 0.41 2.80 0.00 0.00 179.97 183.60 1vpu n GLY 71 N -1.34 5.83 4.09 2.80 0.00 -1.26 -4.88 105.19 110.43 1vpu n GLY 71 Ca -0.06 -2.40 -0.33 0.00 0.00 0.00 0.00 46.02 43.23 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 -0.78 -1.94 -1.83 1.61 1.44 -0.95 -4.85 115.22 107.91 1vpu n HIS 72 Ca 0.58 0.84 -0.42 0.00 -2.01 0.00 0.00 57.72 56.71 1vpu n HIS 72 Cb 0.57 -3.39 -0.00 0.00 0.12 0.00 0.00 29.99 27.28 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 -4.49 7.03 0.00 2.39 7.99 -0.24 -4.10 117.00 125.57 1vpu n LEU 73 Ca 0.03 -4.29 -0.02 0.00 -0.01 0.00 0.00 56.01 51.72 1vpu n LEU 73 Cb 0.52 -1.60 -0.01 0.00 -0.11 0.00 0.00 43.42 42.22 1vpu n LEU 73 CO 0.81 1.28 -0.01 0.00 -1.51 0.00 0.00 177.39 177.96 1vpu n ALA 74 N 5.27 0.08 -0.26 -1.18 0.00 -1.26 -4.56 120.51 118.59 1vpu n ALA 74 Ca 0.52 -0.23 0.18 0.00 0.00 0.00 0.00 53.44 53.91 1vpu n ALA 74 Cb 0.37 0.18 0.48 0.00 0.00 0.00 0.00 19.45 20.48 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 0.45 -0.73 0.00 0.13 -1.89 -0.44 132.00 129.52 1vpu h PRO 75 Ca -0.03 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.15 1vpu h PRO 75 Cb 0.14 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.12 1vpu h PRO 75 CO 0.04 0.30 0.48 0.11 -0.23 0.00 0.00 178.00 178.70 1vpu h TRP 76 N 0.46 0.72 0.08 1.56 0.09 -1.95 0.58 115.95 117.49 1vpu h TRP 76 Ca 0.49 0.02 -0.37 0.00 0.09 0.00 0.00 58.89 59.12 1vpu h TRP 76 Cb 1.15 -0.23 -0.04 0.00 0.08 0.00 0.00 29.16 30.12 1vpu h TRP 76 CO -0.00 0.36 -2.15 -0.25 0.09 0.00 0.00 178.44 176.49 1vpu n ASP 77 N -4.49 2.00 -0.14 0.11 9.92 -0.34 -0.96 116.55 122.65 1vpu n ASP 77 Ca 0.12 0.10 -0.01 0.00 -0.53 0.00 0.00 54.79 54.47 1vpu n ASP 77 Cb 0.29 -0.66 0.22 0.00 -0.64 0.00 0.00 41.12 40.33 1vpu n ASP 77 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1vpu h VAL 78 N 0.05 1.21 0.05 2.53 2.07 -1.02 -3.23 116.25 117.90 1vpu h VAL 78 Ca -0.47 -0.64 -0.36 0.00 0.82 0.00 0.00 66.70 66.04 1vpu h VAL 78 Cb 2.00 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 1vpu h VAL 78 CO 0.03 0.26 -2.08 -0.67 0.02 0.00 0.00 177.57 175.13 1vpu n ASP 79 N -4.33 2.01 0.00 0.57 -0.08 0.18 -4.99 116.55 109.92 1vpu n ASP 79 Ca 0.05 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1vpu n ASP 79 Cb 0.16 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 42.87 1vpu n ASP 79 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1vpu n ASP 80 N -3.70 0.00 -0.64 1.67 2.03 -0.14 -5.07 116.55 110.71 1vpu n ASP 80 Ca -0.39 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.05 1vpu n ASP 80 Cb 0.94 0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.73 1vpu n ASP 80 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46