#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s LYS 2 N 0.00 4.20 -0.13 1.61 -0.14 -1.26 -5.07 119.74 118.95 3i55 s LYS 2 Ca 0.00 0.41 -0.06 0.00 -1.36 0.00 0.00 55.97 54.95 3i55 s LYS 2 Cb 0.00 -3.55 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 3i55 s LYS 2 CO 0.00 -0.12 0.11 -1.59 -0.76 0.00 0.00 175.35 172.99 3i55 s LYS 3 N 1.54 3.50 0.77 1.68 -2.85 -1.26 -5.10 119.74 118.02 3i55 s LYS 3 Ca 0.24 -0.21 -0.11 0.00 -1.00 0.00 0.00 55.97 54.89 3i55 s LYS 3 Cb -0.15 -3.15 0.06 0.00 -2.06 0.00 0.00 37.83 32.53 3i55 s LYS 3 CO 0.10 0.66 1.14 -1.54 0.10 0.00 0.00 175.35 175.81 3i55 s SER 4 N -0.70 4.75 0.24 0.03 1.04 -1.26 -4.85 113.70 112.96 3i55 s SER 4 Ca 0.13 0.83 -0.04 0.00 0.48 0.00 0.00 55.95 57.34 3i55 s SER 4 Cb -0.12 -1.41 0.39 0.00 0.10 0.00 0.00 66.02 64.99 3i55 s SER 4 CO 0.03 -1.74 1.81 0.50 0.98 0.00 0.00 173.24 174.82 3i55 h LYS 5 N -0.91 0.79 0.23 4.02 3.64 -1.99 -0.29 116.57 122.05 3i55 h LYS 5 Ca -0.46 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 3i55 h LYS 5 Cb 1.31 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3i55 h LYS 5 CO 0.65 0.52 -0.11 0.00 -2.27 0.00 0.00 179.45 178.24 3i55 h ALA 6 N 1.45 -0.31 -1.46 5.00 0.00 -1.99 -1.68 119.26 120.27 3i55 h ALA 6 Ca 0.40 -0.20 0.42 0.00 0.00 0.00 0.00 54.91 55.53 3i55 h ALA 6 Cb 0.34 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3i55 h ALA 6 CO -0.24 -0.42 1.04 1.15 0.00 0.00 0.00 179.25 180.77 3i55 h THR 7 N -0.82 0.26 0.01 0.00 2.02 -1.86 0.24 112.91 112.76 3i55 h THR 7 Ca -0.03 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3i55 h THR 7 Cb 0.51 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3i55 h THR 7 CO 0.05 0.01 -0.00 0.50 0.37 0.00 0.00 175.52 176.44 3i55 h LYS 8 N 0.03 -0.01 -0.69 6.66 3.64 -0.82 -2.30 116.57 123.08 3i55 h LYS 8 Ca 0.71 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 60.22 3i55 h LYS 8 Cb 2.76 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 34.49 3i55 h LYS 8 CO -0.06 0.81 0.24 0.87 -2.27 0.00 0.00 179.45 179.05 3i55 h LYS 9 N -0.92 0.38 0.92 1.90 1.57 0.34 0.16 116.57 120.92 3i55 h LYS 9 Ca -0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3i55 h LYS 9 Cb 0.83 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.06 3i55 h LYS 9 CO 0.00 0.25 -0.48 0.00 -0.57 0.00 0.00 179.45 178.66 3i55 h ARG 10 N 0.39 -1.23 -1.09 3.15 3.08 -1.09 -0.23 114.38 117.36 3i55 h ARG 10 Ca 0.37 0.08 0.30 0.00 0.07 0.00 0.00 59.98 60.80 3i55 h ARG 10 Cb 0.54 0.28 -0.08 0.00 0.08 0.00 0.00 29.97 30.79 3i55 h ARG 10 CO -0.39 -0.82 0.73 -0.07 -1.07 0.00 0.00 179.97 178.35 3i55 h LEU 11 N -1.28 0.29 0.74 3.04 3.38 -0.76 0.42 115.31 121.14 3i55 h LEU 11 Ca -0.13 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3i55 h LEU 11 Cb 1.00 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.77 3i55 h LEU 11 CO 0.18 0.04 -0.36 0.00 0.09 0.00 0.00 178.44 178.40 3i55 h ALA 12 N 1.56 -1.00 -0.32 1.53 0.00 0.25 -1.45 119.26 119.83 3i55 h ALA 12 Ca 0.59 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.35 3i55 h ALA 12 Cb 1.79 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 19.89 3i55 h ALA 12 CO -0.21 -0.99 -0.30 -0.22 0.00 0.00 0.00 179.25 177.53 3i55 h LYS 13 N -1.14 -0.26 -0.94 0.00 3.64 0.71 0.04 116.57 118.61 3i55 h LYS 13 Ca -0.10 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.52 3i55 h LYS 13 Cb 0.79 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.55 3i55 h LYS 13 CO 0.17 -0.17 0.50 -0.07 -2.27 0.00 0.00 179.45 177.60 3i55 h LEU 14 N -0.27 0.53 -0.62 5.20 3.38 -0.96 0.43 115.31 122.99 3i55 h LEU 14 Ca 0.15 0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 3i55 h LEU 14 Cb 0.52 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3i55 h LEU 14 CO -0.47 0.09 0.02 -0.78 0.09 0.00 0.00 178.44 177.39 3i55 h ASP 15 N 0.53 1.05 -0.40 -0.43 3.58 0.09 -3.09 116.42 117.75 3i55 h ASP 15 Ca 0.59 -0.30 -0.08 0.00 0.42 0.00 0.00 57.03 57.65 3i55 h ASP 15 Cb 1.07 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 3i55 h ASP 15 CO -0.48 1.09 -0.08 -1.13 -2.88 0.00 0.00 179.24 175.77 3i55 h ASN 16 N 0.99 0.76 0.00 2.28 -0.00 0.93 -1.66 115.58 118.87 3i55 h ASN 16 Ca 0.18 -0.35 0.00 0.00 -0.00 0.00 0.00 56.30 56.12 3i55 h ASN 16 Cb 0.54 -0.21 0.00 0.00 -0.00 0.00 0.00 38.32 38.65 3i55 h ASN 16 CO 0.03 0.94 0.08 0.00 -0.00 0.00 0.00 177.43 178.47 3i55 n GLN 17 N -4.36 0.03 -0.21 6.67 6.02 0.21 -1.38 117.38 124.37 3i55 n GLN 17 Ca -0.01 0.47 0.02 0.00 -0.01 0.00 0.00 57.00 57.48 3i55 n GLN 17 Cb 0.35 -1.68 0.10 0.00 1.02 0.00 0.00 30.24 30.04 3i55 n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3i55 n ASN 18 N -1.61 1.96 -4.95 1.08 4.05 -0.63 -4.83 115.26 110.32 3i55 n ASN 18 Ca -0.00 -2.18 -0.23 0.00 0.45 0.00 0.00 54.58 52.62 3i55 n ASN 18 Cb 0.09 -0.44 0.00 0.00 1.23 0.00 0.00 39.78 40.66 3i55 n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3i55 s SER 19 N -0.42 5.97 0.62 1.20 1.04 -0.48 -4.92 113.70 116.70 3i55 s SER 19 Ca 0.14 0.27 -0.10 0.00 0.48 0.00 0.00 55.95 56.74 3i55 s SER 19 Cb 0.10 -1.62 -0.03 0.00 0.10 0.00 0.00 66.02 64.57 3i55 s SER 19 CO 0.06 -0.57 1.01 -0.60 0.98 0.00 0.00 173.24 174.12 3i55 s ARG 20 N -4.45 3.47 -0.31 4.02 3.52 -1.26 -4.97 118.95 118.97 3i55 s ARG 20 Ca 0.46 0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 56.41 3i55 s ARG 20 Cb -0.10 -2.10 -0.01 0.00 -1.56 0.00 0.00 34.95 31.18 3i55 s ARG 20 CO 0.37 -0.61 1.63 0.08 -0.81 0.00 0.00 175.30 175.96 3i55 s VAL 21 N -3.16 3.67 0.09 7.11 1.01 -1.26 -4.89 120.40 122.96 3i55 s VAL 21 Ca 0.55 0.72 -0.35 0.00 0.00 0.00 0.00 61.98 62.89 3i55 s VAL 21 Cb -0.11 -3.81 -0.18 0.00 0.00 0.00 0.00 36.38 32.28 3i55 s VAL 21 CO 0.53 -0.45 0.95 -0.81 0.00 0.00 0.00 175.10 175.32 3i55 n PRO 22 N 8.03 0.25 -0.31 2.72 -0.04 -1.26 -4.82 135.00 139.58 3i55 n PRO 22 Ca 0.20 0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.79 3i55 n PRO 22 Cb 0.46 -1.47 0.11 0.00 -0.04 0.00 0.00 33.50 32.57 3i55 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i55 n ALA 23 N 1.16 0.17 -0.13 0.55 0.00 -1.26 -0.96 120.51 120.04 3i55 n ALA 23 Ca 0.19 0.92 0.04 0.00 0.00 0.00 0.00 53.44 54.59 3i55 n ALA 23 Cb 0.16 -0.54 0.34 0.00 0.00 0.00 0.00 19.45 19.41 3i55 n ALA 23 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3i55 h TRP 24 N 0.00 0.74 -0.39 0.00 5.08 -2.01 -1.51 115.95 117.85 3i55 h TRP 24 Ca 0.40 0.02 0.03 0.00 1.08 0.00 0.00 58.89 60.42 3i55 h TRP 24 Cb 0.61 -0.25 -0.02 0.00 -3.00 0.00 0.00 29.16 26.50 3i55 h TRP 24 CO -0.66 0.44 0.26 0.28 -1.28 0.00 0.00 178.44 177.48 3i55 h VAL 25 N 0.77 1.01 -0.51 0.12 2.07 -1.37 0.21 116.25 118.55 3i55 h VAL 25 Ca 0.24 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.66 3i55 h VAL 25 Cb 0.02 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3i55 h VAL 25 CO -0.06 0.07 0.28 0.24 0.02 0.00 0.00 177.57 178.12 3i55 h MET 26 N 0.40 0.54 0.05 1.57 2.86 -1.32 -1.67 114.93 117.35 3i55 h MET 26 Ca 0.16 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3i55 h MET 26 Cb 0.15 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3i55 h MET 26 CO -0.04 0.36 -0.02 -0.07 1.06 0.00 0.00 176.91 178.19 3i55 h LEU 27 N 0.55 -0.06 -1.80 1.22 3.38 -1.12 -0.44 115.31 117.05 3i55 h LEU 27 Ca 0.22 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3i55 h LEU 27 Cb 0.08 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3i55 h LEU 27 CO -0.13 0.62 0.18 0.50 0.09 0.00 0.00 178.44 179.71 3i55 h LYS 28 N -0.79 0.00 -0.02 1.13 3.64 -0.60 0.09 116.57 120.02 3i55 h LYS 28 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3i55 h LYS 28 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3i55 h LYS 28 CO 0.01 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.44 3i55 n THR 29 N -2.58 0.22 -3.98 1.00 -2.24 -0.63 -5.00 114.28 101.07 3i55 n THR 29 Ca -0.02 -0.61 -0.40 0.00 -2.27 0.00 0.00 64.05 60.75 3i55 n THR 29 Cb 0.22 0.93 0.02 0.00 -2.10 0.00 0.00 70.33 69.40 3i55 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i55 n ASP 30 N 0.07 -3.87 -1.47 3.42 8.00 0.02 -5.05 116.55 117.67 3i55 n ASP 30 Ca 0.02 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3i55 n ASP 30 Cb 0.12 -2.23 0.00 0.00 -0.02 0.00 0.00 41.12 38.99 3i55 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i55 n ARG 31 N -4.74 -2.73 0.00 -1.24 1.74 -0.29 -5.04 116.66 104.36 3i55 n ARG 31 Ca -0.13 2.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.96 3i55 n ARG 31 Cb 0.59 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 3i55 n ARG 31 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i55 n ARG 35 N -0.62 0.00 -3.13 5.56 0.63 -1.26 -5.09 116.66 112.74 3i55 n ARG 35 Ca 0.00 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.48 3i55 n ARG 35 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 3i55 n ARG 35 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3i55 s ASN 36 N 0.00 6.38 0.00 6.15 2.47 -1.26 -4.93 114.94 123.75 3i55 s ASN 36 Ca 0.00 -1.82 0.00 0.00 0.42 0.00 0.00 52.86 51.46 3i55 s ASN 36 Cb 0.00 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 3i55 s ASN 36 CO 0.00 -0.98 0.29 1.41 -3.72 0.00 0.00 177.10 174.10 3i55 n HIS 37 N 5.83 0.00 -2.57 0.43 8.25 -1.26 -3.06 115.22 122.84 3i55 n HIS 37 Ca 0.01 -0.09 0.03 0.00 -0.26 0.00 0.00 57.72 57.41 3i55 n HIS 37 Cb 0.44 -0.09 0.03 0.00 1.12 0.00 0.00 29.99 31.49 3i55 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i55 n LYS 38 N 0.52 0.39 -2.46 -0.41 5.02 -1.26 -5.06 118.16 114.89 3i55 n LYS 38 Ca 0.00 -2.31 -0.43 0.00 -2.02 0.00 0.00 58.31 53.55 3i55 n LYS 38 Cb 0.14 -0.35 -0.02 0.00 -0.02 0.00 0.00 35.03 34.79 3i55 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3i55 s ARG 39 N -0.84 3.84 -0.18 1.97 0.52 -1.17 -4.75 118.95 118.33 3i55 s ARG 39 Ca 0.32 1.06 -0.05 0.00 -0.52 0.00 0.00 55.73 56.54 3i55 s ARG 39 Cb 0.37 -3.89 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 3i55 s ARG 39 CO -0.14 -1.21 -0.01 0.50 0.02 0.00 0.00 175.30 174.46 3i55 s ARG 40 N 4.29 3.66 -0.07 3.54 3.52 -1.26 -5.05 118.95 127.58 3i55 s ARG 40 Ca 0.54 -0.51 -0.13 0.00 -0.13 0.00 0.00 55.73 55.51 3i55 s ARG 40 Cb -0.14 -3.04 -0.05 0.00 -1.56 0.00 0.00 34.95 30.16 3i55 s ARG 40 CO 0.25 0.11 0.33 -1.58 -0.81 0.00 0.00 175.30 173.60 3i55 s HIS 41 N 0.75 3.63 0.58 5.12 5.65 -1.26 -4.97 115.29 124.78 3i55 s HIS 41 Ca -0.00 0.80 0.28 0.00 0.25 0.00 0.00 55.06 56.39 3i55 s HIS 41 Cb -0.14 -2.25 1.59 0.00 -1.18 0.00 0.00 32.58 30.60 3i55 s HIS 41 CO 0.02 0.54 2.04 0.11 -0.65 0.00 0.00 174.74 176.80 3i55 h TRP 42 N 5.34 0.00 0.00 3.88 5.08 -1.99 -1.22 115.95 127.03 3i55 h TRP 42 Ca -0.49 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.45 3i55 h TRP 42 Cb 1.21 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3i55 h TRP 42 CO 0.69 0.00 -1.06 -2.13 -1.28 0.00 0.00 178.44 174.66 3i55 n ARG 43 N -3.82 0.51 0.05 0.12 0.63 -1.26 -4.68 116.66 108.21 3i55 n ARG 43 Ca 0.04 0.20 0.02 0.00 -0.92 0.00 0.00 57.85 57.19 3i55 n ARG 43 Cb 0.43 -1.40 0.37 0.00 0.45 0.00 0.00 32.46 32.31 3i55 n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i55 h ARG 44 N -0.96 0.41 0.00 -0.14 2.47 -1.99 -3.45 114.38 110.73 3i55 h ARG 44 Ca -0.05 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3i55 h ARG 44 Cb 1.00 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 3i55 h ARG 44 CO -0.03 0.43 0.00 0.09 0.56 0.00 0.00 179.97 181.03 3i55 n ASN 45 N -4.33 0.00 -3.62 7.04 3.02 -0.46 -4.97 115.26 111.94 3i55 n ASN 45 Ca 0.01 -0.37 -0.04 0.00 -0.03 0.00 0.00 54.58 54.15 3i55 n ASN 45 Cb 0.21 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 3i55 n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3i55 s ASP 46 N -1.00 -0.78 0.50 6.41 -1.08 -1.26 -4.90 116.67 114.56 3i55 s ASP 46 Ca 0.00 1.19 -0.02 0.00 -0.52 0.00 0.00 52.55 53.20 3i55 s ASP 46 Cb 0.00 1.47 -0.00 0.00 -1.46 0.00 0.00 42.92 42.93 3i55 s ASP 46 CO 0.00 -0.18 0.75 0.42 0.52 0.00 0.00 175.17 176.68 3i55 s THR 47 N 1.79 3.98 1.29 1.71 -4.23 -1.26 -5.09 115.64 113.83 3i55 s THR 47 Ca -0.08 -0.27 -0.22 0.00 -1.18 0.00 0.00 61.69 59.94 3i55 s THR 47 Cb -0.06 -3.51 0.32 0.00 1.34 0.00 0.00 72.50 70.60 3i55 s THR 47 CO -0.18 -0.43 1.04 0.47 -0.54 0.00 0.00 174.62 174.99 3i55 n ASP 48 N -2.26 -2.60 0.00 3.99 10.43 -1.26 -5.26 116.55 119.59 3i55 n ASP 48 Ca 0.02 -1.10 0.00 0.00 2.57 0.00 0.00 54.79 56.28 3i55 n ASP 48 Cb 0.57 -1.00 0.00 0.00 1.84 0.00 0.00 41.12 42.53 3i55 n ASP 48 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51