#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1k s LYS 2 N 0.00 2.04 0.65 1.61 -0.14 -1.26 -5.11 119.74 117.53 1m1k s LYS 2 Ca 0.00 -1.60 -0.11 0.00 -1.36 0.00 0.00 55.97 52.90 1m1k s LYS 2 Cb 0.00 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 1m1k s LYS 2 CO 0.00 -0.84 1.05 -1.59 -0.76 0.00 0.00 175.35 173.21 1m1k s LYS 3 N 1.11 3.33 0.52 1.68 -2.85 -1.26 -5.09 119.74 117.19 1m1k s LYS 3 Ca 0.03 0.74 0.09 0.00 -1.00 0.00 0.00 55.97 55.83 1m1k s LYS 3 Cb -0.21 -2.05 0.05 0.00 -2.06 0.00 0.00 37.83 33.57 1m1k s LYS 3 CO -0.04 -0.76 0.66 -1.54 0.10 0.00 0.00 175.35 173.76 1m1k s SER 4 N -4.12 5.16 0.14 0.03 1.04 -1.26 -4.93 113.70 109.75 1m1k s SER 4 Ca 0.56 -0.80 -0.17 0.00 0.48 0.00 0.00 55.95 56.03 1m1k s SER 4 Cb -0.12 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.03 1m1k s SER 4 CO 0.54 -1.13 1.75 0.50 0.98 0.00 0.00 173.24 175.88 1m1k h LYS 5 N 0.42 0.53 -0.01 4.02 3.64 -1.99 -0.98 116.57 122.21 1m1k h LYS 5 Ca -0.34 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1m1k h LYS 5 Cb 1.29 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1m1k h LYS 5 CO 0.45 0.42 -0.06 0.00 -2.27 0.00 0.00 179.45 177.99 1m1k h ALA 6 N 1.07 -0.06 -0.46 5.00 0.00 -2.00 -1.88 119.26 120.94 1m1k h ALA 6 Ca 0.13 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1m1k h ALA 6 Cb 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1m1k h ALA 6 CO -0.02 -0.55 0.21 1.15 0.00 0.00 0.00 179.25 180.04 1m1k h THR 7 N -0.11 0.93 -0.50 0.00 2.02 -1.91 -1.70 112.91 111.64 1m1k h THR 7 Ca 0.03 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.12 1m1k h THR 7 Cb 0.14 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 1m1k h THR 7 CO -0.07 0.08 0.20 0.50 0.37 0.00 0.00 175.52 176.60 1m1k h LYS 8 N 0.43 0.38 -0.31 6.66 3.64 -0.95 -0.69 116.57 125.72 1m1k h LYS 8 Ca 0.21 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1m1k h LYS 8 Cb 0.14 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 1m1k h LYS 8 CO -0.16 0.25 -0.09 0.87 -2.27 0.00 0.00 179.45 178.05 1m1k h LYS 9 N 0.39 -0.01 0.03 1.90 1.57 -0.50 0.51 116.57 120.45 1m1k h LYS 9 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1m1k h LYS 9 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1m1k h LYS 9 CO -0.23 -0.01 -0.05 0.00 -0.57 0.00 0.00 179.45 178.60 1m1k h ARG 10 N -0.02 -0.09 -0.65 3.15 3.08 -0.66 -1.53 114.38 117.66 1m1k h ARG 10 Ca 0.15 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.32 1m1k h ARG 10 Cb 0.25 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.24 1m1k h ARG 10 CO -0.33 -0.06 0.22 -0.07 -1.07 0.00 0.00 179.97 178.66 1m1k h LEU 11 N -0.10 0.19 -0.54 3.04 3.38 -0.68 -0.20 115.31 120.39 1m1k h LEU 11 Ca 0.01 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1m1k h LEU 11 Cb 0.11 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1m1k h LEU 11 CO -0.03 0.09 0.16 0.00 0.09 0.00 0.00 178.44 178.75 1m1k h ALA 12 N 1.47 0.64 -0.45 1.53 0.00 -0.35 -0.47 119.26 121.64 1m1k h ALA 12 Ca 0.34 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1m1k h ALA 12 Cb 0.48 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1m1k h ALA 12 CO -0.36 -0.25 0.21 -0.22 0.00 0.00 0.00 179.25 178.63 1m1k h LYS 13 N 0.31 0.65 -0.07 0.00 3.64 -0.16 -1.30 116.57 119.65 1m1k h LYS 13 Ca 0.27 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1m1k h LYS 13 Cb 0.34 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1m1k h LYS 13 CO -0.31 0.56 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.35 1m1k h LEU 14 N 0.58 0.08 -0.31 5.20 3.38 -0.40 0.19 115.31 124.03 1m1k h LEU 14 Ca 0.15 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 1m1k h LEU 14 Cb 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1m1k h LEU 14 CO -0.02 0.12 -0.85 -0.78 0.09 0.00 0.00 178.44 177.00 1m1k h ASP 15 N 0.09 0.32 -0.22 -0.43 3.58 -0.50 -3.03 116.42 116.22 1m1k h ASP 15 Ca 0.02 -0.24 -0.18 0.00 0.42 0.00 0.00 57.03 57.05 1m1k h ASP 15 Cb 0.10 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1m1k h ASP 15 CO 0.00 1.03 -0.56 -1.13 -2.88 0.00 0.00 179.24 175.71 1m1k h ASN 16 N 0.14 0.88 0.27 2.28 -0.00 -0.05 -2.54 115.58 116.57 1m1k h ASN 16 Ca -0.05 -0.57 0.00 0.00 -0.00 0.00 0.00 56.30 55.69 1m1k h ASN 16 Cb 1.47 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 1m1k h ASN 16 CO 0.13 1.29 0.00 0.00 -0.00 0.00 0.00 177.43 178.85 1m1k n GLN 17 N -4.07 0.01 -0.33 6.67 6.02 0.53 -2.48 117.38 123.72 1m1k n GLN 17 Ca -0.06 0.35 0.04 0.00 -0.01 0.00 0.00 57.00 57.32 1m1k n GLN 17 Cb 0.63 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.56 1m1k n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1m1k n ASN 18 N -1.48 2.69 -4.90 1.08 4.05 -0.95 -4.78 115.26 110.96 1m1k n ASN 18 Ca 0.02 -2.28 -0.22 0.00 0.45 0.00 0.00 54.58 52.55 1m1k n ASN 18 Cb 0.09 -0.46 0.06 0.00 1.23 0.00 0.00 39.78 40.70 1m1k n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1m1k s SER 19 N -0.57 5.02 0.40 1.20 1.04 -1.04 -4.89 113.70 114.87 1m1k s SER 19 Ca 0.24 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.59 1m1k s SER 19 Cb 0.16 -0.65 -0.01 0.00 0.10 0.00 0.00 66.02 65.62 1m1k s SER 19 CO 0.10 -1.35 0.61 -0.60 0.98 0.00 0.00 173.24 172.98 1m1k s ARG 20 N -4.88 3.22 -0.09 4.02 3.52 -1.26 -4.97 118.95 118.51 1m1k s ARG 20 Ca 0.60 -0.47 -0.29 0.00 -0.13 0.00 0.00 55.73 55.43 1m1k s ARG 20 Cb -0.09 -2.62 -0.05 0.00 -1.56 0.00 0.00 34.95 30.63 1m1k s ARG 20 CO 0.40 -0.09 1.65 0.08 -0.81 0.00 0.00 175.30 176.54 1m1k s VAL 21 N -2.44 3.60 0.37 7.11 1.01 -1.26 -4.91 120.40 123.88 1m1k s VAL 21 Ca 0.45 0.72 -0.25 0.00 0.00 0.00 0.00 61.98 62.89 1m1k s VAL 21 Cb -0.10 -3.50 -0.12 0.00 0.00 0.00 0.00 36.38 32.66 1m1k s VAL 21 CO 0.37 -0.10 0.95 -0.81 0.00 0.00 0.00 175.10 175.50 1m1k n PRO 22 N 7.26 1.26 -0.18 2.72 -0.04 -1.26 -4.87 135.00 139.89 1m1k n PRO 22 Ca 0.18 0.45 -0.01 0.00 -0.04 0.00 0.00 63.50 64.07 1m1k n PRO 22 Cb 0.43 -1.90 0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1m1k n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m1k h ALA 23 N 1.62 0.46 -0.75 0.55 0.00 -2.02 -1.26 119.26 117.86 1m1k h ALA 23 Ca -0.42 0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.85 1m1k h ALA 23 Cb 1.35 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1m1k h ALA 23 CO 0.58 -0.41 0.51 0.11 0.00 0.00 0.00 179.25 180.04 1m1k h TRP 24 N 0.07 0.29 0.00 0.00 5.08 -2.01 0.20 115.95 119.59 1m1k h TRP 24 Ca 0.27 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 60.21 1m1k h TRP 24 Cb 0.43 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 26.49 1m1k h TRP 24 CO -0.38 0.10 -0.19 0.28 -1.28 0.00 0.00 178.44 176.97 1m1k h VAL 25 N 0.24 0.73 -0.16 0.12 2.07 -1.57 0.31 116.25 117.99 1m1k h VAL 25 Ca 0.37 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1m1k h VAL 25 Cb 1.09 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1m1k h VAL 25 CO -0.08 0.19 -0.13 0.24 0.02 0.00 0.00 177.57 177.81 1m1k h MET 26 N 0.00 0.36 -0.52 1.57 2.86 -0.61 -1.63 114.93 116.96 1m1k h MET 26 Ca -0.00 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.37 1m1k h MET 26 Cb 0.47 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1m1k h MET 26 CO 0.02 0.72 -0.01 -0.07 1.06 0.00 0.00 176.91 178.63 1m1k h LEU 27 N 0.01 0.91 -1.61 1.22 3.38 -1.33 0.95 115.31 118.85 1m1k h LEU 27 Ca 0.03 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1m1k h LEU 27 Cb 0.64 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1m1k h LEU 27 CO 0.03 1.00 -0.16 0.50 0.09 0.00 0.00 178.44 179.90 1m1k h LYS 28 N 0.80 0.00 -0.05 1.13 3.64 -0.92 -2.93 116.57 118.24 1m1k h LYS 28 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1m1k h LYS 28 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1m1k h LYS 28 CO 0.03 0.16 0.00 0.25 -2.27 0.00 0.00 179.45 177.62 1m1k n THR 29 N -3.52 0.09 -2.84 1.00 -2.24 -0.62 -4.96 114.28 101.19 1m1k n THR 29 Ca -0.01 -0.55 -0.19 0.00 -2.27 0.00 0.00 64.05 61.03 1m1k n THR 29 Cb 0.31 1.22 0.01 0.00 -2.10 0.00 0.00 70.33 69.76 1m1k n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1m1k n ASP 30 N 0.77 -4.74 -0.96 3.42 8.00 0.19 -5.05 116.55 118.19 1m1k n ASP 30 Ca 0.09 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1m1k n ASP 30 Cb 0.36 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 1m1k n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1m1k n GLU 31 N -3.42 -2.74 0.00 -1.24 1.02 -0.35 -5.03 120.64 108.88 1m1k n GLU 31 Ca -0.12 2.04 0.00 0.00 -0.02 0.00 0.00 57.16 59.07 1m1k n GLU 31 Cb 0.61 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1m1k n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1m1k n ARG 35 N -0.98 0.00 -3.64 3.49 1.74 -1.26 -5.05 116.66 110.96 1m1k n ARG 35 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1m1k n ARG 35 Cb 0.01 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.34 1m1k n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1m1k s ASN 36 N 0.00 5.57 0.00 0.55 3.84 -1.26 -4.93 114.94 118.71 1m1k s ASN 36 Ca 0.00 -1.38 0.28 0.00 0.21 0.00 0.00 52.86 51.96 1m1k s ASN 36 Cb 0.00 -1.96 1.42 0.00 -0.55 0.00 0.00 41.25 40.16 1m1k s ASN 36 CO 0.00 -0.47 1.95 1.41 -2.79 0.00 0.00 177.10 177.20 1m1k n HIS 37 N 4.89 0.00 -1.01 0.43 8.25 -1.26 -3.35 115.22 123.18 1m1k n HIS 37 Ca -0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.40 1m1k n HIS 37 Cb 0.44 -0.26 0.32 0.00 1.12 0.00 0.00 29.99 31.61 1m1k n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1m1k n LYS 38 N -1.26 3.69 -1.89 -0.41 5.02 -1.26 -4.98 118.16 117.07 1m1k n LYS 38 Ca 0.14 -3.03 -0.42 0.00 -2.02 0.00 0.00 58.31 52.98 1m1k n LYS 38 Cb 0.21 -2.06 -0.02 0.00 -0.02 0.00 0.00 35.03 33.13 1m1k n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1m1k s ARG 39 N -2.87 4.19 -0.07 1.97 0.52 -1.21 -4.81 118.95 116.67 1m1k s ARG 39 Ca 0.49 2.44 -0.01 0.00 -0.52 0.00 0.00 55.73 58.12 1m1k s ARG 39 Cb 0.39 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.80 1m1k s ARG 39 CO 0.12 -0.56 0.01 0.50 0.02 0.00 0.00 175.30 175.38 1m1k s ARG 40 N 0.07 0.55 0.27 3.54 3.52 -1.26 -5.09 118.95 120.55 1m1k s ARG 40 Ca 0.64 0.13 -0.14 0.00 -0.13 0.00 0.00 55.73 56.24 1m1k s ARG 40 Cb -0.45 -0.93 -0.08 0.00 -1.56 0.00 0.00 34.95 31.93 1m1k s ARG 40 CO 0.41 -0.31 0.66 -1.58 -0.81 0.00 0.00 175.30 173.67 1m1k s HIS 41 N 1.99 3.43 0.25 5.12 5.65 -1.26 -4.99 115.29 125.48 1m1k s HIS 41 Ca 0.05 1.11 0.01 0.00 0.25 0.00 0.00 55.06 56.47 1m1k s HIS 41 Cb -0.12 -2.44 0.31 0.00 -1.18 0.00 0.00 32.58 29.15 1m1k s HIS 41 CO -0.05 0.20 1.65 0.11 -0.65 0.00 0.00 174.74 176.00 1m1k h TRP 42 N 2.55 0.60 0.00 3.88 5.08 -2.01 -2.47 115.95 123.58 1m1k h TRP 42 Ca -0.48 -0.15 -0.10 0.00 1.08 0.00 0.00 58.89 59.24 1m1k h TRP 42 Cb 1.18 -0.14 -0.02 0.00 -3.00 0.00 0.00 29.16 27.18 1m1k h TRP 42 CO 0.62 0.79 -0.61 -0.09 -1.28 0.00 0.00 178.44 177.87 1m1k h ARG 43 N 0.44 0.00 0.00 0.12 2.43 -2.04 -3.39 114.38 111.94 1m1k h ARG 43 Ca 0.05 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 1m1k h ARG 43 Cb 0.79 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1m1k h ARG 43 CO 0.06 0.83 -0.42 0.00 -1.51 0.00 0.00 179.97 178.93 1m1k h ARG 44 N -1.00 0.00 -6.04 0.20 2.47 -1.99 -3.45 114.38 104.56 1m1k h ARG 44 Ca -0.16 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.03 1m1k h ARG 44 Cb 1.01 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.28 1m1k h ARG 44 CO -0.09 0.42 -0.39 -0.80 0.56 0.00 0.00 179.97 179.67 1m1k s ASN 45 N -6.69 4.78 -0.02 7.04 0.01 -0.93 -4.99 114.94 114.13 1m1k s ASN 45 Ca -0.01 -0.96 0.02 0.00 -0.71 0.00 0.00 52.86 51.19 1m1k s ASN 45 Cb 0.13 -0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.51 1m1k s ASN 45 CO 0.71 -0.75 -0.05 -0.62 -1.51 0.00 0.00 177.10 174.88 1m1k s ASP 46 N -4.12 0.81 0.68 -1.22 -1.08 -1.26 -4.73 116.67 105.76 1m1k s ASP 46 Ca 0.43 -0.12 -0.01 0.00 -0.52 0.00 0.00 52.55 52.33 1m1k s ASP 46 Cb -0.01 -0.25 0.10 0.00 -1.46 0.00 0.00 42.92 41.30 1m1k s ASP 46 CO 0.25 0.02 0.94 0.42 0.52 0.00 0.00 175.17 177.31 1m1k s THR 47 N 0.35 2.28 0.79 1.71 -4.23 -1.26 -5.09 115.64 110.19 1m1k s THR 47 Ca -0.04 -0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 59.80 1m1k s THR 47 Cb -0.08 -2.70 0.17 0.00 1.34 0.00 0.00 72.50 71.23 1m1k s THR 47 CO -0.00 0.00 1.08 0.47 -0.54 0.00 0.00 174.62 175.63 1m1k n ASP 48 N -2.72 0.63 0.00 3.99 10.43 -1.26 -5.27 116.55 122.35 1m1k n ASP 48 Ca 0.13 -1.72 0.00 0.00 2.57 0.00 0.00 54.79 55.76 1m1k n ASP 48 Cb 0.60 -0.77 0.00 0.00 1.84 0.00 0.00 41.12 42.79 1m1k n ASP 48 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51