#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmr s LYS 2 N 0.00 4.29 -0.07 1.64 3.01 -1.26 -5.07 119.74 122.28 2kmr s LYS 2 Ca 0.00 1.83 -0.14 0.00 -1.01 0.00 0.00 55.97 56.65 2kmr s LYS 2 Cb 0.00 -2.87 0.03 0.00 -1.01 0.00 0.00 37.83 33.98 2kmr s LYS 2 CO 0.00 -0.11 0.34 0.54 0.51 0.00 0.00 175.35 176.63 2kmr s VAL 3 N -1.33 0.03 -0.09 3.17 0.11 -1.26 -5.07 120.40 115.96 2kmr s VAL 3 Ca 0.52 -0.24 0.13 0.00 -2.93 0.00 0.00 61.98 59.46 2kmr s VAL 3 Cb -0.31 -0.56 -0.20 0.00 -1.53 0.00 0.00 36.38 33.78 2kmr s VAL 3 CO 0.40 -0.13 0.32 0.00 -3.33 0.00 0.00 175.10 172.35 2kmr n ALA 5 N -1.89 -0.57 -1.28 0.00 0.00 -1.26 -4.99 120.51 110.53 2kmr n ALA 5 Ca -0.02 0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 2kmr n ALA 5 Cb 0.33 -1.29 0.09 0.00 0.00 0.00 0.00 19.45 18.58 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 -4.92 0.43 0.00 0.00 0.04 -1.26 -5.01 135.00 124.28 2kmr s PRO 7 Ca 0.61 0.73 0.09 0.00 0.04 0.00 0.00 61.00 62.47 2kmr s PRO 7 Cb -0.17 -1.72 0.10 0.00 0.04 0.00 0.00 34.50 32.75 2kmr s PRO 7 CO 0.56 -2.78 0.84 1.63 0.04 0.00 0.00 177.00 177.29 2kmr n LYS 8 N -4.24 0.61 -1.68 4.56 5.02 -1.26 -4.90 118.16 116.26 2kmr n LYS 8 Ca 0.06 -1.16 -0.45 0.00 -2.02 0.00 0.00 58.31 54.74 2kmr n LYS 8 Cb 0.56 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 34.36 2kmr n LYS 8 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2kmr n ILE 9 N 0.48 0.61 -2.05 -0.18 2.08 -1.26 -4.89 119.36 114.14 2kmr n ILE 9 Ca 0.06 -0.15 -0.34 0.00 0.56 0.00 0.00 62.75 62.88 2kmr n ILE 9 Cb 0.25 -1.59 -0.04 0.00 -0.75 0.00 0.00 39.64 37.51 2kmr n ILE 9 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2kmr s LEU 10 N 0.33 3.24 -0.42 1.39 0.20 -1.26 -4.57 118.68 117.59 2kmr s LEU 10 Ca 0.71 -0.08 0.06 0.00 0.69 0.00 0.00 54.13 55.52 2kmr s LEU 10 Cb -0.63 -2.54 0.22 0.00 -0.43 0.00 0.00 46.19 42.81 2kmr s LEU 10 CO 0.45 -2.52 0.53 1.17 -0.29 0.00 0.00 176.35 175.69 2kmr n LYS 11 N 9.06 0.54 -1.97 1.98 4.81 -0.82 -5.08 118.16 126.68 2kmr n LYS 11 Ca 0.28 -2.90 -0.25 0.00 -0.87 0.00 0.00 58.31 54.58 2kmr n LYS 11 Cb 0.50 -1.41 -0.05 0.00 0.02 0.00 0.00 35.03 34.09 2kmr n LYS 11 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kmr s PRO 12 N -0.36 2.39 0.72 1.64 0.04 -1.24 -3.86 135.00 134.33 2kmr s PRO 12 Ca 0.34 -0.22 -0.11 0.00 0.04 0.00 0.00 61.00 61.05 2kmr s PRO 12 Cb 0.12 -5.03 0.02 0.00 0.04 0.00 0.00 34.50 29.66 2kmr s PRO 12 CO -0.15 -3.60 1.07 0.14 0.04 0.00 0.00 177.00 174.50 2kmr s VAL 13 N 10.92 3.82 0.92 -0.36 -7.23 -1.23 -4.93 120.40 122.32 2kmr s VAL 13 Ca 0.74 0.59 -0.12 0.00 -1.81 0.00 0.00 61.98 61.38 2kmr s VAL 13 Cb -0.07 -3.27 0.15 0.00 0.56 0.00 0.00 36.38 33.74 2kmr s VAL 13 CO 0.01 -0.77 1.09 0.00 -0.31 0.00 0.00 175.10 175.12 2kmr s GLY 15 N -3.39 -0.06 0.60 0.00 0.00 -1.02 -4.87 107.32 98.59 2kmr s GLY 15 Ca 0.64 0.54 0.31 0.00 0.00 0.00 0.00 44.72 46.21 2kmr s GLY 15 CO 0.57 0.69 2.14 1.76 0.00 0.00 0.00 173.10 178.26 2kmr h SER 16 N 6.65 0.00 0.38 1.64 0.02 -1.87 -1.05 113.55 119.32 2kmr h SER 16 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2kmr h SER 16 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2kmr h SER 16 CO 0.42 0.00 -0.08 0.47 -1.14 0.00 0.00 176.83 176.51 2kmr n ASP 17 N -3.65 0.34 0.00 3.07 9.92 -1.26 -4.93 116.55 120.04 2kmr n ASP 17 Ca 0.00 -0.52 0.00 0.00 -0.53 0.00 0.00 54.79 53.75 2kmr n ASP 17 Cb 0.27 -0.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 2kmr n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kmr n GLY 18 N 1.26 0.85 3.73 0.44 0.00 -0.40 -5.10 105.19 105.98 2kmr n GLY 18 Ca 0.15 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.56 2.16 0.01 1.61 0.52 -1.24 -4.99 118.95 116.47 2kmr s ARG 19 Ca 0.00 -2.37 0.05 0.00 -0.52 0.00 0.00 55.73 52.89 2kmr s ARG 19 Cb 0.00 -1.44 -0.02 0.00 0.52 0.00 0.00 34.95 34.01 2kmr s ARG 19 CO 0.00 -0.37 -0.16 0.99 0.02 0.00 0.00 175.30 175.79 2kmr s THR 20 N -2.91 1.24 0.08 0.02 2.01 -1.26 -2.43 115.64 112.39 2kmr s THR 20 Ca 0.08 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.26 2kmr s THR 20 Cb 0.02 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 2kmr s THR 20 CO 0.04 0.21 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.80 2kmr s TYR 21 N -0.59 0.83 0.27 4.92 2.02 -1.25 -5.06 117.35 118.49 2kmr s TYR 21 Ca 0.05 -0.73 -0.04 0.00 -0.37 0.00 0.00 57.07 55.98 2kmr s TYR 21 Cb -0.07 -0.48 0.34 0.00 -0.40 0.00 0.00 41.96 41.35 2kmr s TYR 21 CO 0.00 -0.11 1.88 0.00 -1.57 0.00 0.00 175.55 175.76 2kmr h ALA 22 N 3.62 1.26 -2.96 3.71 0.00 -1.93 -3.27 119.26 119.69 2kmr h ALA 22 Ca -0.36 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 2kmr h ALA 22 Cb 1.18 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2kmr h ALA 22 CO 0.54 0.59 -0.09 0.54 0.00 0.00 0.00 179.25 180.83 2kmr s ASN 23 N -6.35 0.83 0.30 0.00 2.20 -1.25 -1.95 114.94 108.71 2kmr s ASN 23 Ca -0.12 -1.46 0.03 0.00 -0.94 0.00 0.00 52.86 50.37 2kmr s ASN 23 Cb 0.17 0.71 0.48 0.00 -2.00 0.00 0.00 41.25 40.61 2kmr s ASN 23 CO 0.81 -1.40 1.79 0.77 -2.94 0.00 0.00 177.10 176.13 2kmr h SER 24 N 2.07 0.52 0.35 3.54 4.64 -1.87 -3.11 113.55 119.69 2kmr h SER 24 Ca -0.29 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 2kmr h SER 24 Cb 1.24 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2kmr h SER 24 CO 0.39 0.67 -0.17 0.00 -0.87 0.00 0.00 176.83 176.85 2kmr h ILE 26 N -0.62 1.13 -0.59 0.00 6.09 -1.90 -1.63 117.51 119.99 2kmr h ILE 26 Ca -0.05 -0.32 -0.04 0.00 -1.37 0.00 0.00 64.86 63.09 2kmr h ILE 26 Cb 0.45 0.11 -0.03 0.00 0.47 0.00 0.00 36.82 37.82 2kmr h ILE 26 CO 0.08 0.17 0.23 0.00 -3.07 0.00 0.00 178.15 175.56 2kmr h ALA 27 N 1.56 0.77 -0.66 0.18 0.00 -1.48 0.44 119.26 120.06 2kmr h ALA 27 Ca 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2kmr h ALA 27 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2kmr h ALA 27 CO -0.08 0.39 0.28 -0.09 0.00 0.00 0.00 179.25 179.75 2kmr h ARG 28 N 0.82 0.98 -0.67 0.00 9.65 -1.04 -0.78 114.38 123.33 2kmr h ARG 28 Ca 0.20 -0.17 -0.08 0.00 -1.10 0.00 0.00 59.98 58.83 2kmr h ARG 28 Cb 0.21 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 2kmr h ARG 28 CO -0.01 0.81 0.11 0.00 2.80 0.00 0.00 179.97 183.67 2kmr h ASN 30 N 1.03 -0.19 0.00 0.00 -0.73 -0.68 -3.48 115.58 111.54 2kmr h ASN 30 Ca 0.20 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2kmr h ASN 30 Cb 0.43 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.07 2kmr h ASN 30 CO 0.01 0.04 0.00 0.61 -0.37 0.00 0.00 177.43 177.72 2kmr n GLY 31 N -0.65 -0.10 3.25 1.57 0.00 -0.42 -5.09 105.19 103.75 2kmr n GLY 31 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 1.68 -0.12 1.61 1.01 -0.48 -5.02 120.40 119.08 2kmr s VAL 32 Ca 0.00 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.60 2kmr s VAL 32 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2kmr s VAL 32 CO 0.00 0.24 0.59 -0.44 0.00 0.00 0.00 175.10 175.48 2kmr s SER 33 N -1.11 6.79 0.00 3.32 0.01 -1.26 -3.17 113.70 118.27 2kmr s SER 33 Ca 0.08 0.94 0.03 0.00 1.31 0.00 0.00 55.95 58.31 2kmr s SER 33 Cb -0.09 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 2kmr s SER 33 CO 0.02 -0.10 0.15 -0.38 0.41 0.00 0.00 173.24 173.33 2kmr n ILE 34 N 3.94 0.00 0.05 1.44 2.08 -1.26 -4.55 119.36 121.05 2kmr n ILE 34 Ca -0.04 -0.44 0.06 0.00 0.56 0.00 0.00 62.75 62.89 2kmr n ILE 34 Cb 0.51 1.00 0.48 0.00 -0.75 0.00 0.00 39.64 40.89 2kmr n ILE 34 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2kmr h LYS 35 N 0.04 0.40 -3.90 0.38 3.64 -1.98 -3.40 116.57 111.75 2kmr h LYS 35 Ca 0.00 -0.02 -0.53 0.00 -1.27 0.00 0.00 60.65 58.82 2kmr h LYS 35 Cb 0.07 -0.09 -0.39 0.00 -0.41 0.00 0.00 32.23 31.41 2kmr h LYS 35 CO 0.00 0.26 -0.78 0.45 -2.27 0.00 0.00 179.45 177.11 2kmr s SER 36 N -6.73 2.81 0.31 4.20 0.15 -1.26 -5.13 113.70 108.05 2kmr s SER 36 Ca -0.07 -0.70 -0.29 0.00 0.70 0.00 0.00 55.95 55.58 2kmr s SER 36 Cb 0.18 -0.77 -0.11 0.00 -1.71 0.00 0.00 66.02 63.61 2kmr s SER 36 CO 0.72 -0.23 1.52 -1.61 1.20 0.00 0.00 173.24 174.84 2kmr s GLU 37 N 1.73 4.16 0.00 5.44 0.41 -1.26 -4.96 118.70 124.22 2kmr s GLU 37 Ca -0.00 2.51 0.07 0.00 -0.41 0.00 0.00 54.97 57.13 2kmr s GLU 37 Cb -0.16 -3.03 -0.24 0.00 -1.78 0.00 0.00 34.13 28.93 2kmr s GLU 37 CO -0.07 -0.54 0.84 0.78 -0.49 0.00 0.00 175.26 175.78 2kmr h GLY 38 N 4.30 0.08 -7.24 -1.39 0.00 -1.92 -3.44 103.07 93.46 2kmr h GLY 38 Ca -0.48 -0.20 -0.51 0.00 0.00 0.00 0.00 47.33 46.14 2kmr h GLY 38 CO 0.74 0.18 1.22 -0.56 0.00 0.00 0.00 176.54 178.12 2kmr s SER 39 N -6.49 5.99 0.24 0.19 0.01 -1.26 -5.00 113.70 107.38 2kmr s SER 39 Ca -0.05 -0.83 -0.31 0.00 1.31 0.00 0.00 55.95 56.07 2kmr s SER 39 Cb 0.08 -2.56 -0.12 0.00 0.21 0.00 0.00 66.02 63.64 2kmr s SER 39 CO 0.83 -1.95 1.66 0.00 0.41 0.00 0.00 173.24 174.19 2kmr s PRO 41 N 0.44 2.19 0.00 0.00 0.04 -1.26 -5.02 135.00 131.39 2kmr s PRO 41 Ca 0.69 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2kmr s PRO 41 Cb -0.49 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2kmr s PRO 41 CO 0.39 -1.64 0.00 2.41 0.04 0.00 0.00 177.00 178.20 2kmr n THR 42 N -3.49 0.00 -3.35 1.26 -1.04 -1.26 -5.16 114.28 101.23 2kmr n THR 42 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2kmr n THR 42 Cb 0.54 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 2kmr n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kmr n GLY 43 N 2.60 -1.15 0.78 3.41 0.00 -1.26 -5.39 105.19 104.18 2kmr n GLY 43 Ca 0.00 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.23 2kmr n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83