#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmr n LYS 2 N 0.00 2.98 -3.82 -1.58 5.02 -1.26 -4.90 118.16 114.61 2kmr n LYS 2 Ca 0.00 -2.91 -0.20 0.00 -2.02 0.00 0.00 58.31 53.18 2kmr n LYS 2 Cb 0.00 -3.39 -0.17 0.00 -0.02 0.00 0.00 35.03 31.45 2kmr n LYS 2 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kmr s VAL 3 N 3.80 0.20 -0.25 -0.18 1.01 -1.26 -5.13 120.40 118.59 2kmr s VAL 3 Ca 0.51 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 2kmr s VAL 3 Cb 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2kmr s VAL 3 CO -0.00 0.20 1.55 0.00 0.00 0.00 0.00 175.10 176.85 2kmr n ALA 5 N 8.40 2.71 -1.04 0.00 0.00 -1.26 -4.94 120.51 124.39 2kmr n ALA 5 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 2kmr n ALA 5 Cb 0.46 -1.21 0.12 0.00 0.00 0.00 0.00 19.45 18.82 2kmr n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmr s PRO 7 N -4.63 2.50 0.51 0.00 0.04 -1.26 -4.97 135.00 127.19 2kmr s PRO 7 Ca 0.65 1.17 0.30 0.00 0.04 0.00 0.00 61.00 63.16 2kmr s PRO 7 Cb -0.21 -1.93 1.14 0.00 0.04 0.00 0.00 34.50 33.54 2kmr s PRO 7 CO 0.55 -1.46 1.90 -0.22 0.04 0.00 0.00 177.00 177.81 2kmr h LYS 8 N -0.81 0.00 -6.59 4.56 3.64 -2.02 -3.46 116.57 111.90 2kmr h LYS 8 Ca -0.44 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.38 2kmr h LYS 8 Cb 1.23 0.00 0.06 0.00 -0.41 0.00 0.00 32.23 33.11 2kmr h LYS 8 CO 0.53 0.07 0.87 -0.89 -2.27 0.00 0.00 179.45 177.76 2kmr n ILE 9 N -3.18 0.12 -3.42 2.00 2.08 -1.26 -5.00 119.36 110.70 2kmr n ILE 9 Ca 0.01 -0.03 -0.38 0.00 0.56 0.00 0.00 62.75 62.91 2kmr n ILE 9 Cb 0.36 -1.73 -0.06 0.00 -0.75 0.00 0.00 39.64 37.46 2kmr n ILE 9 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2kmr s LEU 10 N 0.87 4.35 -0.42 1.39 2.34 -1.26 -4.67 118.68 121.28 2kmr s LEU 10 Ca 0.76 0.83 0.04 0.00 0.06 0.00 0.00 54.13 55.82 2kmr s LEU 10 Cb -0.60 -2.60 0.17 0.00 -0.56 0.00 0.00 46.19 42.60 2kmr s LEU 10 CO 0.37 0.14 0.40 -0.54 -1.06 0.00 0.00 176.35 175.67 2kmr s LYS 11 N -0.07 0.89 -1.07 1.48 1.02 0.02 -4.99 119.74 117.02 2kmr s LYS 11 Ca 0.24 -1.78 -0.23 0.00 0.02 0.00 0.00 55.97 54.21 2kmr s LYS 11 Cb -0.15 -1.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 2kmr s LYS 11 CO 0.11 -1.35 1.88 -1.25 -0.92 0.00 0.00 175.35 173.81 2kmr s PRO 12 N 0.37 2.74 0.36 -1.68 0.04 -1.21 -3.91 135.00 131.71 2kmr s PRO 12 Ca 0.30 -0.88 0.08 0.00 0.04 0.00 0.00 61.00 60.54 2kmr s PRO 12 Cb 0.00 -5.21 -0.04 0.00 0.04 0.00 0.00 34.50 29.30 2kmr s PRO 12 CO -0.15 -3.44 0.19 0.14 0.04 0.00 0.00 177.00 173.79 2kmr s VAL 13 N 9.54 2.87 0.06 -0.36 -7.23 -1.24 -4.95 120.40 119.09 2kmr s VAL 13 Ca 0.66 -1.62 -0.30 0.00 -1.81 0.00 0.00 61.98 58.91 2kmr s VAL 13 Cb -0.03 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 2kmr s VAL 13 CO 0.05 -0.12 1.11 0.00 -0.31 0.00 0.00 175.10 175.83 2kmr s GLY 15 N 0.88 1.46 0.58 0.00 0.00 0.06 -4.92 107.32 105.37 2kmr s GLY 15 Ca 0.55 -0.63 0.27 0.00 0.00 0.00 0.00 44.72 44.92 2kmr s GLY 15 CO 0.29 -0.49 2.21 1.48 0.00 0.00 0.00 173.10 176.60 2kmr h SER 16 N 0.36 0.00 0.25 1.64 4.64 -1.88 -1.19 113.55 117.37 2kmr h SER 16 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2kmr h SER 16 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2kmr h SER 16 CO 0.61 0.00 -0.02 0.47 -0.87 0.00 0.00 176.83 177.02 2kmr n ASP 17 N -3.96 0.19 -0.04 4.97 8.00 -1.26 -4.91 116.55 119.54 2kmr n ASP 17 Ca -0.02 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.81 2kmr n ASP 17 Cb 0.13 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2kmr n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kmr n GLY 18 N 1.16 1.13 3.75 0.44 0.00 -0.45 -5.10 105.19 106.12 2kmr n GLY 18 Ca 0.19 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 2kmr n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kmr s ARG 19 N -2.57 2.20 -0.05 1.61 1.81 -1.22 -4.93 118.95 115.80 2kmr s ARG 19 Ca 0.00 -1.96 0.03 0.00 -1.72 0.00 0.00 55.73 52.08 2kmr s ARG 19 Cb 0.00 -1.91 0.00 0.00 -0.45 0.00 0.00 34.95 32.60 2kmr s ARG 19 CO 0.00 -0.21 -0.13 0.99 -0.68 0.00 0.00 175.30 175.27 2kmr s THR 20 N -2.67 1.15 0.08 0.02 2.01 -1.26 -0.76 115.64 114.20 2kmr s THR 20 Ca 0.35 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2kmr s THR 20 Cb 0.03 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 2kmr s THR 20 CO 0.19 0.35 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.09 2kmr s TYR 21 N 0.31 0.82 0.18 4.92 2.02 -1.22 -4.99 117.35 119.38 2kmr s TYR 21 Ca -0.07 -0.75 -0.10 0.00 -0.37 0.00 0.00 57.07 55.78 2kmr s TYR 21 Cb -0.12 -0.48 0.08 0.00 -0.40 0.00 0.00 41.96 41.04 2kmr s TYR 21 CO 0.02 -0.12 1.68 0.00 -1.57 0.00 0.00 175.55 175.57 2kmr h ALA 22 N 3.55 0.85 -2.95 3.71 0.00 -1.92 -3.30 119.26 119.19 2kmr h ALA 22 Ca -0.36 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.01 2kmr h ALA 22 Cb 1.18 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2kmr h ALA 22 CO 0.55 0.60 -0.16 0.54 0.00 0.00 0.00 179.25 180.78 2kmr s ASN 23 N -6.41 1.03 0.37 0.00 2.20 -1.25 -0.80 114.94 110.07 2kmr s ASN 23 Ca -0.12 -1.54 0.06 0.00 -0.94 0.00 0.00 52.86 50.32 2kmr s ASN 23 Cb 0.14 0.69 0.70 0.00 -2.00 0.00 0.00 41.25 40.78 2kmr s ASN 23 CO 0.84 -1.35 1.94 0.77 -2.94 0.00 0.00 177.10 176.36 2kmr h SER 24 N 2.07 0.46 0.46 3.54 4.64 -1.88 -2.87 113.55 119.97 2kmr h SER 24 Ca -0.28 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 2kmr h SER 24 Cb 1.24 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2kmr h SER 24 CO 0.38 0.47 -0.22 0.00 -0.87 0.00 0.00 176.83 176.60 2kmr h ILE 26 N -0.74 1.17 0.08 0.00 6.09 -1.96 -0.30 117.51 121.85 2kmr h ILE 26 Ca -0.06 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 2kmr h ILE 26 Cb 0.53 0.47 -0.01 0.00 0.47 0.00 0.00 36.82 38.28 2kmr h ILE 26 CO 0.10 0.19 -0.08 0.00 -3.07 0.00 0.00 178.15 175.29 2kmr h ALA 27 N 1.57 -0.15 -0.51 0.18 0.00 -1.44 -0.17 119.26 118.74 2kmr h ALA 27 Ca 0.19 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2kmr h ALA 27 Cb 0.04 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2kmr h ALA 27 CO -0.03 -0.60 0.28 0.00 0.00 0.00 0.00 179.25 178.90 2kmr h ARG 28 N -0.18 0.53 -0.78 0.00 3.08 -0.89 -0.63 114.38 115.51 2kmr h ARG 28 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2kmr h ARG 28 Cb 0.17 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 2kmr h ARG 28 CO -0.02 0.35 0.37 0.00 -1.07 0.00 0.00 179.97 179.60 2kmr h ASN 30 N 1.11 0.83 0.00 0.00 -1.24 -0.73 -3.48 115.58 112.07 2kmr h ASN 30 Ca 0.27 -0.37 0.00 0.00 0.71 0.00 0.00 56.30 56.90 2kmr h ASN 30 Cb 0.13 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.95 2kmr h ASN 30 CO -0.03 1.02 0.00 0.61 -1.29 0.00 0.00 177.43 177.73 2kmr n GLY 31 N -0.16 0.56 3.33 1.57 0.00 -0.48 -5.10 105.19 104.90 2kmr n GLY 31 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2kmr n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kmr s VAL 32 N -0.56 1.81 0.20 1.61 1.01 -0.37 -5.01 120.40 119.10 2kmr s VAL 32 Ca 0.00 -1.87 0.01 0.00 0.00 0.00 0.00 61.98 60.12 2kmr s VAL 32 Cb 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2kmr s VAL 32 CO 0.00 -0.28 0.05 -0.94 0.00 0.00 0.00 175.10 173.93 2kmr s SER 33 N -2.56 1.00 0.00 3.32 1.04 -1.26 -2.62 113.70 112.62 2kmr s SER 33 Ca 0.14 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2kmr s SER 33 Cb -0.06 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2kmr s SER 33 CO 0.06 -0.67 0.05 -0.38 0.98 0.00 0.00 173.24 173.28 2kmr n ILE 34 N -0.30 0.00 0.21 -1.02 5.41 -1.26 -3.41 119.36 118.98 2kmr n ILE 34 Ca -0.03 -0.35 0.07 0.00 1.00 0.00 0.00 62.75 63.44 2kmr n ILE 34 Cb 0.65 1.04 0.58 0.00 -0.71 0.00 0.00 39.64 41.20 2kmr n ILE 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 2kmr h LYS 35 N 0.00 0.10 -5.52 0.38 2.10 -1.99 -3.37 116.57 108.27 2kmr h LYS 35 Ca 0.00 -0.01 -0.68 0.00 -2.00 0.00 0.00 60.65 57.96 2kmr h LYS 35 Cb 0.02 -0.02 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 2kmr h LYS 35 CO 0.00 0.09 1.69 -1.12 -2.00 0.00 0.00 179.45 178.11 2kmr s SER 36 N -6.99 6.81 0.21 7.07 0.01 -1.26 -4.96 113.70 114.59 2kmr s SER 36 Ca -0.05 -2.35 0.05 0.00 1.31 0.00 0.00 55.95 54.90 2kmr s SER 36 Cb 0.17 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 2kmr s SER 36 CO 0.69 -1.11 -0.05 -1.83 0.41 0.00 0.00 173.24 171.34 2kmr s GLU 37 N 3.51 1.29 -0.02 12.44 -1.05 -1.26 -4.97 118.70 128.65 2kmr s GLU 37 Ca 0.47 -1.62 0.15 0.00 -0.15 0.00 0.00 54.97 53.82 2kmr s GLU 37 Cb 0.00 -0.75 -0.20 0.00 -0.44 0.00 0.00 34.13 32.75 2kmr s GLU 37 CO 0.00 -0.00 0.65 0.41 0.95 0.00 0.00 175.26 177.27 2kmr n GLY 38 N -0.38 -1.08 3.92 -3.83 0.00 -1.26 -4.95 105.19 97.60 2kmr n GLY 38 Ca -0.07 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 2kmr n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kmr s SER 39 N -5.83 5.32 0.11 1.61 1.04 -1.26 -5.05 113.70 109.64 2kmr s SER 39 Ca -0.05 0.70 -0.31 0.00 0.48 0.00 0.00 55.95 56.77 2kmr s SER 39 Cb 0.08 -1.55 -0.09 0.00 0.10 0.00 0.00 66.02 64.56 2kmr s SER 39 CO 0.82 -1.27 1.56 0.00 0.98 0.00 0.00 173.24 175.33 2kmr s PRO 41 N 1.74 2.71 0.02 0.00 0.04 -1.26 -4.94 135.00 133.31 2kmr s PRO 41 Ca 0.70 -0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.70 2kmr s PRO 41 Cb -0.41 -4.80 -0.02 0.00 0.04 0.00 0.00 34.50 29.32 2kmr s PRO 41 CO 0.31 -2.97 -0.04 0.99 0.04 0.00 0.00 177.00 175.33 2kmr s THR 42 N 9.00 0.23 0.00 1.26 2.01 -1.26 -5.01 115.64 121.87 2kmr s THR 42 Ca 0.65 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.92 2kmr s THR 42 Cb -0.08 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.12 2kmr s THR 42 CO 0.07 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.29 2kmr n GLY 43 N 1.96 2.31 0.00 4.40 0.00 -1.26 -5.25 105.19 107.35 2kmr n GLY 43 Ca -0.20 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2kmr n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83