#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpu h GLN 38 N 0.00 0.64 -6.98 3.23 7.50 -2.07 -3.38 115.11 114.05 1vpu h GLN 38 Ca 0.00 -0.14 -0.53 0.00 0.50 0.00 0.00 58.65 58.48 1vpu h GLN 38 Cb 0.00 -0.09 0.10 0.00 0.05 0.00 0.00 27.48 27.54 1vpu h GLN 38 CO 0.00 0.63 0.63 0.42 -1.50 0.00 0.00 178.83 179.01 1vpu s ILE 39 N -5.04 2.39 0.00 2.54 1.01 -1.26 -1.88 121.20 118.97 1vpu s ILE 39 Ca -0.08 0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1vpu s ILE 39 Cb 0.15 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1vpu s ILE 39 CO 0.78 0.04 0.00 -0.67 0.00 0.00 0.00 174.94 175.08 1vpu n ASP 40 N -0.23 0.00 -0.01 3.58 2.03 -1.26 -4.69 116.55 115.97 1vpu n ASP 40 Ca 0.06 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.24 1vpu n ASP 40 Cb 0.44 -0.05 -0.10 0.00 -0.72 0.00 0.00 41.12 40.68 1vpu n ASP 40 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1vpu h ARG 41 N 0.32 -0.07 -0.44 -0.67 2.47 -1.55 -0.66 114.38 113.78 1vpu h ARG 41 Ca 0.00 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.78 1vpu h ARG 41 Cb 0.00 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.29 1vpu h ARG 41 CO 0.00 0.53 0.15 1.37 0.56 0.00 0.00 179.97 182.58 1vpu h LEU 42 N -0.75 0.16 -0.83 3.04 -0.00 -1.76 0.89 115.31 116.06 1vpu h LEU 42 Ca -0.01 0.05 0.09 0.00 -0.00 0.00 0.00 57.88 58.02 1vpu h LEU 42 Cb 0.63 0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 41.25 1vpu h LEU 42 CO 0.01 0.13 0.48 0.40 -0.00 0.00 0.00 178.44 179.46 1vpu h ILE 43 N 0.32 0.92 0.00 0.15 2.04 -1.85 0.34 117.51 119.43 1vpu h ILE 43 Ca 0.20 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 1vpu h ILE 43 Cb 0.20 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1vpu h ILE 43 CO -0.21 0.15 -0.46 -0.78 0.00 0.00 0.00 178.15 176.85 1vpu h ASP 44 N 0.81 0.00 0.02 1.72 3.58 0.08 -3.23 116.42 119.40 1vpu h ASP 44 Ca 0.40 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.68 1vpu h ASP 44 Cb 0.36 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.42 1vpu h ASP 44 CO -0.24 0.39 -0.67 0.08 -2.88 0.00 0.00 179.24 175.92 1vpu h ARG 45 N 0.00 0.42 0.00 0.28 -0.00 0.23 -3.28 114.38 112.03 1vpu h ARG 45 Ca -0.01 -0.48 -0.04 0.00 -0.00 0.00 0.00 59.98 59.45 1vpu h ARG 45 Cb 1.31 0.14 -0.01 0.00 -0.00 0.00 0.00 29.97 31.42 1vpu h ARG 45 CO 0.05 1.14 -0.20 0.82 -0.00 0.00 0.00 179.97 181.78 1vpu h ILE 46 N -0.10 0.76 -0.99 0.08 5.03 -0.49 -3.30 117.51 118.51 1vpu h ILE 46 Ca -0.09 -0.80 0.31 0.00 -0.12 0.00 0.00 64.86 64.16 1vpu h ILE 46 Cb 1.39 1.49 -0.15 0.00 -3.03 0.00 0.00 36.82 36.52 1vpu h ILE 46 CO 0.13 0.19 0.52 0.00 -0.68 0.00 0.00 178.15 178.32 1vpu h THR 47 N 0.00 0.31 0.00 -0.27 1.03 -1.61 0.43 112.91 112.80 1vpu h THR 47 Ca -0.00 -0.11 -0.26 0.00 -0.01 0.00 0.00 66.41 66.02 1vpu h THR 47 Cb 0.47 -0.04 -0.05 0.00 -1.07 0.00 0.00 68.15 67.47 1vpu h THR 47 CO 0.03 0.06 -1.77 -1.84 -0.01 0.00 0.00 175.52 171.98 1vpu n GLU 48 N -5.07 0.64 -0.24 0.00 0.28 -1.24 -0.18 120.64 114.82 1vpu n GLU 48 Ca 0.30 0.20 -0.08 0.00 -0.16 0.00 0.00 57.16 57.42 1vpu n GLU 48 Cb 0.93 -1.73 0.04 0.00 1.43 0.00 0.00 31.44 32.11 1vpu n GLU 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vpu h ARG 49 N 0.00 1.08 0.01 3.44 3.08 -1.24 -3.20 114.38 117.56 1vpu h ARG 49 Ca -0.29 -0.26 -0.35 0.00 0.07 0.00 0.00 59.98 59.15 1vpu h ARG 49 Cb 1.90 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.75 1vpu h ARG 49 CO 0.06 0.96 -2.14 0.00 -1.07 0.00 0.00 179.97 177.78 1vpu n ALA 50 N -2.44 1.43 0.00 0.04 0.00 0.14 -4.98 120.51 114.70 1vpu n ALA 50 Ca 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1vpu n ALA 50 Cb 0.25 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 0.00 -0.37 0.00 0.28 0.74 -4.62 120.64 113.69 1vpu n GLU 51 Ca -0.29 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 56.73 1vpu n GLU 51 Cb 1.09 -1.70 0.17 0.00 1.43 0.00 0.00 31.44 32.43 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 1.03 -0.65 -1.84 2.03 -1.93 0.13 116.42 115.19 1vpu h ASP 52 Ca 0.00 0.01 -0.38 0.00 -0.73 0.00 0.00 57.03 55.93 1vpu h ASP 52 Cb 0.00 -0.21 -0.20 0.00 -0.83 0.00 0.00 39.33 38.09 1vpu h ASP 52 CO 0.00 0.65 0.48 -1.20 -1.03 0.00 0.00 179.24 178.15 1vpu n SER 53 N -4.51 4.74 0.05 4.15 7.64 -1.26 -3.98 113.62 120.45 1vpu n SER 53 Ca 0.15 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.89 1vpu n SER 53 Cb 0.19 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1vpu n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vpu n GLY 54 N -0.40 -0.11 0.21 0.23 0.00 0.28 -4.70 105.19 100.71 1vpu n GLY 54 Ca 0.40 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.49 1vpu n GLY 54 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1vpu h ASN 55 N 0.00 0.00 -0.91 1.61 7.08 -1.27 0.60 115.58 122.69 1vpu h ASN 55 Ca 0.00 0.00 0.04 0.00 -3.08 0.00 0.00 56.30 53.26 1vpu h ASN 55 Cb 0.11 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.29 1vpu h ASN 55 CO 0.00 0.29 0.60 1.05 -2.08 0.00 0.00 177.43 177.29 1vpu h GLU 56 N 0.00 1.10 0.00 4.14 -0.00 -1.80 -3.27 114.58 114.76 1vpu h GLU 56 Ca -0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 1vpu h GLU 56 Cb 0.65 -0.25 0.00 0.00 -0.00 0.00 0.00 28.75 29.15 1vpu h GLU 56 CO 0.04 0.73 -0.05 0.43 -0.00 0.00 0.00 179.01 180.16 1vpu n SER 57 N -4.45 0.24 0.00 3.06 7.64 -1.19 -5.04 113.62 113.89 1vpu n SER 57 Ca 0.12 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1vpu n SER 57 Cb 0.11 0.99 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 1vpu n SER 57 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vpu n GLU 58 N -1.01 0.00 0.00 1.43 -0.58 0.21 -3.40 120.64 117.28 1vpu n GLU 58 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1vpu n GLU 58 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1vpu n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vpu n GLY 59 N 0.00 0.00 0.42 0.62 0.00 -1.26 -4.80 105.19 100.17 1vpu n GLY 59 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.27 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 0.97 1.61 3.58 -1.92 0.29 116.42 121.35 1vpu h ASP 60 Ca 0.00 0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 1vpu h ASP 60 Cb 0.57 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 1vpu h ASP 60 CO 0.00 0.05 -0.31 1.56 -2.88 0.00 0.00 179.24 177.66 1vpu h GLN 61 N 0.34 0.00 0.04 0.28 7.50 -1.87 0.13 115.11 121.53 1vpu h GLN 61 Ca 0.62 0.00 -0.38 0.00 0.50 0.00 0.00 58.65 59.39 1vpu h GLN 61 Cb 1.66 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 29.14 1vpu h GLN 61 CO -0.30 0.31 -2.19 0.39 -1.50 0.00 0.00 178.83 175.54 1vpu n GLU 62 N -3.42 0.67 -0.01 1.46 4.71 0.68 -3.55 120.64 121.18 1vpu n GLU 62 Ca 0.00 0.26 -0.17 0.00 -0.01 0.00 0.00 57.16 57.24 1vpu n GLU 62 Cb 0.49 -1.60 -0.14 0.00 -1.01 0.00 0.00 31.44 29.18 1vpu n GLU 62 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1vpu h GLU 63 N -0.26 0.16 0.00 3.49 4.81 -0.72 -3.42 114.58 118.64 1vpu h GLU 63 Ca -0.52 -0.27 -0.14 0.00 -0.13 0.00 0.00 59.36 58.29 1vpu h GLU 63 Cb 1.83 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 31.28 1vpu h GLU 63 CO -0.10 1.13 -1.23 1.28 -0.73 0.00 0.00 179.01 179.36 1vpu n LEU 64 N -4.34 1.89 0.00 1.64 4.77 -0.46 -4.97 117.00 115.53 1vpu n LEU 64 Ca -0.13 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1vpu n LEU 64 Cb 0.67 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1vpu n LEU 64 CO 0.41 -0.05 0.00 -0.24 -1.33 0.00 0.00 177.39 176.18 1vpu n SER 65 N -4.46 0.00 -0.36 -1.43 2.88 0.32 -3.30 113.62 107.27 1vpu n SER 65 Ca -0.24 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.33 1vpu n SER 65 Cb 0.55 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.19 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 -1.00 1.37 -0.36 -1.46 0.00 -1.90 -1.38 119.26 114.53 1vpu h ALA 66 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1vpu h ALA 66 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1vpu h ALA 66 CO 0.00 0.41 0.02 -0.07 0.00 0.00 0.00 179.25 179.61 1vpu h LEU 67 N 1.14 0.51 -4.94 0.00 3.38 -1.94 -3.24 115.31 110.22 1vpu h LEU 67 Ca 0.43 -0.09 -0.32 0.00 0.09 0.00 0.00 57.88 57.99 1vpu h LEU 67 Cb 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1vpu h LEU 67 CO -0.18 0.57 1.72 0.52 0.09 0.00 0.00 178.44 181.16 1vpu n VAL 68 N -4.29 2.53 -0.81 1.22 0.31 -0.52 -4.68 118.33 112.09 1vpu n VAL 68 Ca 0.02 -1.43 -0.10 0.00 -0.01 0.00 0.00 64.34 62.81 1vpu n VAL 68 Cb 0.23 -2.08 -0.02 0.00 -0.91 0.00 0.00 33.84 31.06 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 3.50 1.57 -1.98 5.55 0.28 -1.23 -4.61 120.64 123.72 1vpu n GLU 69 Ca 0.43 -0.91 -0.37 0.00 -0.16 0.00 0.00 57.16 56.15 1vpu n GLU 69 Cb 0.34 -1.48 -0.04 0.00 1.43 0.00 0.00 31.44 31.69 1vpu n GLU 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1vpu n ARG 70 N 1.24 2.16 0.00 3.44 1.74 -1.26 -4.21 116.66 119.77 1vpu n ARG 70 Ca 0.22 -2.58 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 1vpu n ARG 70 Cb 0.60 -3.45 0.00 0.00 -1.02 0.00 0.00 32.46 28.59 1vpu n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vpu n GLY 71 N 5.23 1.92 0.00 -0.13 0.00 -1.26 -4.02 105.19 106.93 1vpu n GLY 71 Ca 0.48 -0.21 0.00 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 0.00 0.00 -0.54 1.61 1.44 -1.26 -5.12 115.22 111.34 1vpu n HIS 72 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1vpu n HIS 72 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 0.00 -0.10 0.00 2.39 7.99 -1.26 -4.79 117.00 121.23 1vpu n LEU 73 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1vpu n LEU 73 Cb 0.00 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 1vpu n LEU 73 CO 0.00 -0.04 0.00 0.00 -1.51 0.00 0.00 177.39 175.84 1vpu n ALA 74 N 0.56 0.00 -0.27 -1.18 0.00 -1.26 -4.98 120.51 113.38 1vpu n ALA 74 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.74 1vpu n ALA 74 Cb 0.01 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.15 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 0.08 -0.82 0.00 0.13 -1.92 0.66 132.00 130.14 1vpu h PRO 75 Ca 0.00 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.22 1vpu h PRO 75 Cb 0.00 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.05 1vpu h PRO 75 CO 0.00 0.06 0.53 0.11 -0.23 0.00 0.00 178.00 178.47 1vpu h TRP 76 N 0.09 0.82 -0.16 1.56 0.09 -1.94 0.29 115.95 116.70 1vpu h TRP 76 Ca 0.51 0.02 -0.03 0.00 0.09 0.00 0.00 58.89 59.49 1vpu h TRP 76 Cb 1.88 -0.26 -0.01 0.00 0.08 0.00 0.00 29.16 30.85 1vpu h TRP 76 CO -0.00 0.38 -0.01 -0.44 0.09 0.00 0.00 178.44 178.45 1vpu h ASP 77 N 0.76 0.29 -0.04 0.11 5.19 -1.24 -3.17 116.42 118.32 1vpu h ASP 77 Ca 0.38 -0.33 0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1vpu h ASP 77 Cb 0.45 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 1vpu h ASP 77 CO -0.15 0.55 -0.12 0.58 -3.12 0.00 0.00 179.24 176.98 1vpu h VAL 78 N 0.02 0.68 -0.41 -1.35 2.07 -1.04 -3.23 116.25 112.99 1vpu h VAL 78 Ca 0.04 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 66.90 1vpu h VAL 78 Cb 0.41 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1vpu h VAL 78 CO 0.01 0.00 2.52 -0.67 0.02 0.00 0.00 177.57 179.45 1vpu n ASP 79 N -5.26 4.18 -0.06 0.57 2.03 0.87 -4.69 116.55 114.20 1vpu n ASP 79 Ca -0.05 -2.85 -0.03 0.00 0.52 0.00 0.00 54.79 52.38 1vpu n ASP 79 Cb 0.18 -1.66 -0.01 0.00 -0.72 0.00 0.00 41.12 38.90 1vpu n ASP 79 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1vpu h ASP 80 N 7.11 0.00 0.00 1.67 3.58 -1.72 -3.46 116.42 123.60 1vpu h ASP 80 Ca 0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.93 1vpu h ASP 80 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1vpu h ASP 80 CO 1.66 0.61 0.00 -0.11 -2.88 0.00 0.00 179.24 178.52