#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 s LYS 2 N 0.00 2.98 0.28 1.61 -0.14 -1.26 -5.10 119.74 118.11 1m90 s LYS 2 Ca 0.00 -0.92 -0.09 0.00 -1.36 0.00 0.00 55.97 53.61 1m90 s LYS 2 Cb 0.00 -3.27 -0.07 0.00 -1.68 0.00 0.00 37.83 32.82 1m90 s LYS 2 CO 0.00 -0.45 0.60 -1.59 -0.76 0.00 0.00 175.35 173.15 1m90 s LYS 3 N 1.44 3.76 0.67 1.68 -2.85 -1.26 -5.09 119.74 118.09 1m90 s LYS 3 Ca 0.01 0.25 0.03 0.00 -1.00 0.00 0.00 55.97 55.27 1m90 s LYS 3 Cb -0.17 -2.59 0.12 0.00 -2.06 0.00 0.00 37.83 33.13 1m90 s LYS 3 CO 0.01 0.22 0.93 -1.54 0.10 0.00 0.00 175.35 175.06 1m90 s SER 4 N -2.72 4.58 0.17 0.03 1.04 -1.26 -4.91 113.70 110.62 1m90 s SER 4 Ca 0.47 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 56.25 1m90 s SER 4 Cb -0.11 0.11 0.07 0.00 0.10 0.00 0.00 66.02 66.19 1m90 s SER 4 CO 0.25 -1.70 1.72 0.50 0.98 0.00 0.00 173.24 174.99 1m90 h LYS 5 N -0.30 0.86 -0.21 4.02 3.64 -1.99 -1.52 116.57 121.06 1m90 h LYS 5 Ca -0.34 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1m90 h LYS 5 Cb 1.27 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1m90 h LYS 5 CO 0.40 0.74 0.01 0.00 -2.27 0.00 0.00 179.45 178.33 1m90 h ALA 6 N 1.08 0.28 -0.54 5.00 0.00 -1.99 -1.94 119.26 121.14 1m90 h ALA 6 Ca 0.19 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1m90 h ALA 6 Cb 0.20 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1m90 h ALA 6 CO -0.02 -0.02 0.17 1.15 0.00 0.00 0.00 179.25 180.54 1m90 h THR 7 N 0.14 0.78 -0.95 0.00 2.02 -1.91 -1.00 112.91 111.99 1m90 h THR 7 Ca 0.06 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1m90 h THR 7 Cb 0.37 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1m90 h THR 7 CO 0.01 0.06 0.62 0.50 0.37 0.00 0.00 175.52 177.08 1m90 h LYS 8 N 0.34 1.19 -0.81 6.66 3.64 -1.13 -0.53 116.57 125.93 1m90 h LYS 8 Ca 0.26 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1m90 h LYS 8 Cb 0.32 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1m90 h LYS 8 CO -0.29 0.79 0.42 0.87 -2.27 0.00 0.00 179.45 178.97 1m90 h LYS 9 N 1.23 1.16 -0.41 1.90 1.57 -0.41 -0.60 116.57 121.00 1m90 h LYS 9 Ca 0.37 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1m90 h LYS 9 Cb -0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1m90 h LYS 9 CO -0.11 0.87 -0.07 0.00 -0.57 0.00 0.00 179.45 179.58 1m90 h ARG 10 N 1.14 0.76 -0.63 3.15 3.08 -0.43 -1.72 114.38 119.74 1m90 h ARG 10 Ca 0.28 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1m90 h ARG 10 Cb 0.08 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1m90 h ARG 10 CO -0.04 0.88 0.24 -0.07 -1.07 0.00 0.00 179.97 179.92 1m90 h LEU 11 N 0.58 0.85 0.17 3.04 3.38 -0.86 -1.20 115.31 121.28 1m90 h LEU 11 Ca 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1m90 h LEU 11 Cb 0.58 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1m90 h LEU 11 CO 0.03 0.77 -0.17 0.00 0.09 0.00 0.00 178.44 179.16 1m90 h ALA 12 N 1.36 -0.34 -0.22 1.53 0.00 -0.84 -1.45 119.26 119.29 1m90 h ALA 12 Ca 0.21 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1m90 h ALA 12 Cb 0.19 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1m90 h ALA 12 CO -0.02 -0.71 0.00 -0.22 0.00 0.00 0.00 179.25 178.30 1m90 h LYS 13 N -0.37 0.07 -0.99 0.00 3.64 -0.90 -1.49 116.57 116.53 1m90 h LYS 13 Ca 0.00 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1m90 h LYS 13 Cb 0.35 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.08 1m90 h LYS 13 CO -0.04 0.05 0.63 -0.07 -2.27 0.00 0.00 179.45 177.74 1m90 h LEU 14 N 0.07 0.92 -0.78 5.20 3.38 -1.06 0.26 115.31 123.30 1m90 h LEU 14 Ca 0.10 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1m90 h LEU 14 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1m90 h LEU 14 CO -0.18 0.51 0.01 -0.78 0.09 0.00 0.00 178.44 178.09 1m90 h ASP 15 N 1.00 0.90 -0.40 -0.43 3.58 -0.59 -2.69 116.42 117.80 1m90 h ASP 15 Ca 0.48 -0.23 -0.15 0.00 0.42 0.00 0.00 57.03 57.54 1m90 h ASP 15 Cb 0.44 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1m90 h ASP 15 CO -0.24 0.96 -0.35 -1.13 -2.88 0.00 0.00 179.24 175.60 1m90 h ASN 16 N 0.86 1.00 0.41 2.28 -0.00 0.03 -2.15 115.58 118.01 1m90 h ASN 16 Ca 0.16 -0.45 0.00 0.00 -0.00 0.00 0.00 56.30 56.01 1m90 h ASN 16 Cb 0.50 -0.28 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 1m90 h ASN 16 CO 0.02 1.24 0.00 0.00 -0.00 0.00 0.00 177.43 178.70 1m90 n GLN 17 N -4.08 0.14 -0.13 6.67 6.02 0.71 -2.36 117.38 124.35 1m90 n GLN 17 Ca -0.02 0.49 0.02 0.00 -0.01 0.00 0.00 57.00 57.47 1m90 n GLN 17 Cb 0.53 -1.84 0.07 0.00 1.02 0.00 0.00 30.24 30.01 1m90 n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1m90 n ASN 18 N -2.13 1.41 -4.77 1.08 4.05 -0.81 -4.81 115.26 109.29 1m90 n ASN 18 Ca 0.01 -2.10 -0.23 0.00 0.45 0.00 0.00 54.58 52.71 1m90 n ASN 18 Cb 0.14 -0.36 0.09 0.00 1.23 0.00 0.00 39.78 40.88 1m90 n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1m90 s SER 19 N -0.48 4.61 0.28 1.20 1.04 -1.00 -4.91 113.70 114.44 1m90 s SER 19 Ca 0.10 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.27 1m90 s SER 19 Cb 0.06 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1m90 s SER 19 CO 0.04 -1.66 0.46 -0.60 0.98 0.00 0.00 173.24 172.45 1m90 s ARG 20 N -5.04 3.49 -0.01 4.02 3.52 -1.26 -4.98 118.95 118.69 1m90 s ARG 20 Ca 0.64 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 1m90 s ARG 20 Cb -0.07 -2.77 -0.07 0.00 -1.56 0.00 0.00 34.95 30.48 1m90 s ARG 20 CO 0.43 0.29 1.78 0.08 -0.81 0.00 0.00 175.30 177.07 1m90 s VAL 21 N -2.10 3.32 0.46 7.11 1.01 -1.26 -4.91 120.40 124.04 1m90 s VAL 21 Ca 0.38 0.42 -0.23 0.00 0.00 0.00 0.00 61.98 62.55 1m90 s VAL 21 Cb -0.10 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.92 1m90 s VAL 21 CO 0.32 -0.04 0.97 -0.81 0.00 0.00 0.00 175.10 175.55 1m90 n PRO 22 N 7.19 1.22 -0.25 2.72 -0.04 -1.26 -4.90 135.00 139.68 1m90 n PRO 22 Ca 0.18 0.44 0.05 0.00 -0.04 0.00 0.00 63.50 64.14 1m90 n PRO 22 Cb 0.42 -2.05 0.18 0.00 -0.04 0.00 0.00 33.50 32.01 1m90 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m90 h ALA 23 N 1.27 1.00 -0.10 0.55 0.00 -2.02 -1.35 119.26 118.61 1m90 h ALA 23 Ca -0.45 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1m90 h ALA 23 Cb 1.35 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1m90 h ALA 23 CO 0.55 -0.26 0.05 0.11 0.00 0.00 0.00 179.25 179.70 1m90 h TRP 24 N 0.38 0.13 0.00 0.00 5.08 -2.01 -1.18 115.95 118.36 1m90 h TRP 24 Ca 0.41 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.35 1m90 h TRP 24 Cb 0.64 -0.04 -0.00 0.00 -3.00 0.00 0.00 29.16 26.75 1m90 h TRP 24 CO -0.20 0.10 -0.13 0.28 -1.28 0.00 0.00 178.44 177.22 1m90 h VAL 25 N 0.14 0.46 -0.11 0.12 2.07 -1.59 0.01 116.25 117.35 1m90 h VAL 25 Ca 0.04 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.80 1m90 h VAL 25 Cb 0.02 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1m90 h VAL 25 CO -0.01 0.13 -0.31 0.24 0.02 0.00 0.00 177.57 177.64 1m90 h MET 26 N 0.00 0.41 -0.38 1.57 2.86 -1.23 -2.30 114.93 115.86 1m90 h MET 26 Ca -0.00 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.28 1m90 h MET 26 Cb 0.45 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1m90 h MET 26 CO 0.02 0.90 -0.04 -0.07 1.06 0.00 0.00 176.91 178.78 1m90 h LEU 27 N -0.02 0.70 -1.99 1.22 3.38 -1.37 0.10 115.31 117.33 1m90 h LEU 27 Ca -0.01 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1m90 h LEU 27 Cb 0.92 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1m90 h LEU 27 CO 0.07 0.86 0.00 0.50 0.09 0.00 0.00 178.44 179.96 1m90 h LYS 28 N 0.52 0.00 -0.09 1.13 3.64 -1.03 -2.68 116.57 118.05 1m90 h LYS 28 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1m90 h LYS 28 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1m90 h LYS 28 CO 0.03 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.46 1m90 n THR 29 N -3.07 0.42 -3.11 1.00 -2.24 -0.87 -4.97 114.28 101.44 1m90 n THR 29 Ca -0.01 -0.71 -0.21 0.00 -2.27 0.00 0.00 64.05 60.86 1m90 n THR 29 Cb 0.22 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1m90 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1m90 n ASP 30 N 0.23 -4.09 -0.99 3.42 8.00 -0.10 -5.04 116.55 117.98 1m90 n ASP 30 Ca 0.05 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1m90 n ASP 30 Cb 0.24 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 1m90 n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1m90 n GLU 31 N -3.57 -2.83 0.00 -1.24 1.02 -0.44 -5.03 120.64 108.55 1m90 n GLU 31 Ca -0.06 2.10 0.00 0.00 -0.02 0.00 0.00 57.16 59.18 1m90 n GLU 31 Cb 0.57 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 1m90 n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1m90 n ARG 35 N -0.86 0.00 -3.65 3.49 1.74 -1.26 -5.05 116.66 111.07 1m90 n ARG 35 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1m90 n ARG 35 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1m90 n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1m90 s ASN 36 N 0.00 5.51 0.00 0.55 3.84 -1.26 -4.92 114.94 118.66 1m90 s ASN 36 Ca 0.00 -1.94 0.19 0.00 0.21 0.00 0.00 52.86 51.32 1m90 s ASN 36 Cb 0.00 -1.93 1.02 0.00 -0.55 0.00 0.00 41.25 39.79 1m90 s ASN 36 CO 0.00 -0.62 1.58 1.41 -2.79 0.00 0.00 177.10 176.67 1m90 n HIS 37 N 4.78 0.00 -1.04 0.43 8.25 -1.26 -2.93 115.22 123.45 1m90 n HIS 37 Ca -0.06 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.44 1m90 n HIS 37 Cb 0.41 -0.20 0.30 0.00 1.12 0.00 0.00 29.99 31.62 1m90 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1m90 n LYS 38 N -1.20 3.41 -1.99 -0.41 5.02 -1.26 -4.99 118.16 116.74 1m90 n LYS 38 Ca 0.11 -3.01 -0.42 0.00 -2.02 0.00 0.00 58.31 52.97 1m90 n LYS 38 Cb 0.13 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 33.09 1m90 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1m90 s ARG 39 N -2.90 4.22 -0.17 1.97 0.52 -1.15 -4.77 118.95 116.66 1m90 s ARG 39 Ca 0.48 2.27 -0.01 0.00 -0.52 0.00 0.00 55.73 57.95 1m90 s ARG 39 Cb 0.39 -3.48 0.05 0.00 0.52 0.00 0.00 34.95 32.42 1m90 s ARG 39 CO 0.10 -0.66 -0.03 0.50 0.02 0.00 0.00 175.30 175.23 1m90 s ARG 40 N 2.20 1.25 0.18 3.54 3.52 -1.26 -5.07 118.95 123.30 1m90 s ARG 40 Ca 0.71 -0.51 -0.27 0.00 -0.13 0.00 0.00 55.73 55.52 1m90 s ARG 40 Cb -0.39 -2.03 -0.08 0.00 -1.56 0.00 0.00 34.95 30.89 1m90 s ARG 40 CO 0.31 -0.48 0.85 -1.58 -0.81 0.00 0.00 175.30 173.58 1m90 s HIS 41 N 1.67 3.92 0.43 5.12 5.65 -1.26 -4.95 115.29 125.87 1m90 s HIS 41 Ca -0.00 1.74 0.10 0.00 0.25 0.00 0.00 55.06 57.14 1m90 s HIS 41 Cb -0.16 -2.87 0.95 0.00 -1.18 0.00 0.00 32.58 29.33 1m90 s HIS 41 CO -0.07 0.46 2.05 0.11 -0.65 0.00 0.00 174.74 176.64 1m90 h TRP 42 N 4.44 0.43 0.00 3.88 5.08 -2.00 0.25 115.95 128.02 1m90 h TRP 42 Ca -0.46 0.01 -0.11 0.00 1.08 0.00 0.00 58.89 59.41 1m90 h TRP 42 Cb 1.20 -0.14 -0.02 0.00 -3.00 0.00 0.00 29.16 27.20 1m90 h TRP 42 CO 0.63 0.26 -0.74 -0.09 -1.28 0.00 0.00 178.44 177.22 1m90 h ARG 43 N 0.45 0.00 0.00 0.12 2.43 -2.04 -3.39 114.38 111.95 1m90 h ARG 43 Ca 0.16 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1m90 h ARG 43 Cb 0.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1m90 h ARG 43 CO -0.04 0.65 -0.38 0.00 -1.51 0.00 0.00 179.97 178.70 1m90 h ARG 44 N -1.00 0.00 -6.07 0.20 2.47 -1.98 -3.45 114.38 104.55 1m90 h ARG 44 Ca -0.17 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.02 1m90 h ARG 44 Cb 0.93 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.20 1m90 h ARG 44 CO -0.10 0.38 -0.36 -0.80 0.56 0.00 0.00 179.97 179.64 1m90 s ASN 45 N -6.55 4.81 -0.04 7.04 0.01 0.07 -4.96 114.94 115.33 1m90 s ASN 45 Ca -0.01 -0.96 0.01 0.00 -0.71 0.00 0.00 52.86 51.19 1m90 s ASN 45 Cb 0.12 -0.21 0.02 0.00 0.41 0.00 0.00 41.25 41.58 1m90 s ASN 45 CO 0.69 -0.80 -0.04 -0.62 -1.51 0.00 0.00 177.10 174.82 1m90 s ASP 46 N -4.16 0.84 0.70 -1.22 -1.08 -1.26 -4.73 116.67 105.76 1m90 s ASP 46 Ca 0.43 -0.12 -0.04 0.00 -0.52 0.00 0.00 52.55 52.31 1m90 s ASP 46 Cb -0.02 -0.36 0.09 0.00 -1.46 0.00 0.00 42.92 41.17 1m90 s ASP 46 CO 0.25 -0.03 0.98 0.42 0.52 0.00 0.00 175.17 177.31 1m90 s THR 47 N 0.73 2.30 0.91 1.71 -4.23 -1.26 -5.10 115.64 110.69 1m90 s THR 47 Ca -0.09 -0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 59.88 1m90 s THR 47 Cb -0.12 -2.87 0.20 0.00 1.34 0.00 0.00 72.50 71.05 1m90 s THR 47 CO 0.00 0.00 1.24 -1.81 -0.54 0.00 0.00 174.62 173.51 1m90 s ASP 48 N -4.60 3.29 0.00 3.99 -0.00 -1.26 -5.27 116.67 112.81 1m90 s ASP 48 Ca 0.63 -0.10 0.00 0.00 -0.00 0.00 0.00 52.55 53.08 1m90 s ASP 48 Cb -0.08 0.05 0.00 0.00 -0.00 0.00 0.00 42.92 42.88 1m90 s ASP 48 CO 0.44 -2.60 0.00 -0.62 -0.00 0.00 0.00 175.17 172.39