#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 0.82 0.01 1.64 1.02 -1.26 -5.19 119.74 116.78 2kmr s LYS 2 Ca 0.00 -1.27 -0.00 0.00 0.02 0.00 0.00 55.97 54.72 2kmr s LYS 2 Cb 0.00 0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 37.55 2kmr s LYS 2 CO 0.00 -0.22 -0.01 0.08 -0.92 0.00 0.00 175.35 174.28 2kmr s VAL 3 N -3.97 0.07 -0.03 3.17 1.01 -1.26 -5.13 120.40 114.26 2kmr s VAL 3 Ca 0.14 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2kmr s VAL 3 Cb 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 36.38 36.18 2kmr s VAL 3 CO -0.05 -0.33 2.01 0.00 0.00 0.00 0.00 175.10 176.73 2kmr n ALA 5 N 8.53 2.94 -1.19 0.00 0.00 -1.26 -4.94 120.51 124.59 2kmr n ALA 5 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 2kmr n ALA 5 Cb 0.42 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 18.73 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 -4.28 2.57 0.03 0.00 0.04 -1.26 -4.99 135.00 127.12 2kmr s PRO 7 Ca 0.69 1.11 0.26 0.00 0.04 0.00 0.00 61.00 63.11 2kmr s PRO 7 Cb -0.25 -1.94 0.70 0.00 0.04 0.00 0.00 34.50 33.06 2kmr s PRO 7 CO 0.50 -1.39 1.56 1.17 0.04 0.00 0.00 177.00 178.88 2kmr n LYS 8 N -3.25 0.06 -1.66 4.56 4.81 -1.26 -4.95 118.16 116.48 2kmr n LYS 8 Ca 0.09 0.03 -0.39 0.00 -0.87 0.00 0.00 58.31 57.16 2kmr n LYS 8 Cb 0.53 -1.55 0.03 0.00 0.02 0.00 0.00 35.03 34.07 2kmr n LYS 8 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2kmr n ILE 9 N -1.65 3.24 -3.05 3.15 5.41 -1.26 -4.98 119.36 120.22 2kmr n ILE 9 Ca 0.06 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 62.88 2kmr n ILE 9 Cb 0.36 -1.34 -0.06 0.00 -0.71 0.00 0.00 39.64 37.89 2kmr n ILE 9 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2kmr s LEU 10 N -1.92 4.25 -0.47 1.39 1.02 -1.26 -4.76 118.68 116.93 2kmr s LEU 10 Ca 0.69 0.10 0.06 0.00 0.02 0.00 0.00 54.13 55.00 2kmr s LEU 10 Cb -0.46 -2.87 0.21 0.00 0.02 0.00 0.00 46.19 43.08 2kmr s LEU 10 CO 0.52 -0.70 0.47 1.17 0.02 0.00 0.00 176.35 177.82 2kmr n LYS 11 N 6.28 0.86 -2.01 1.70 4.81 -0.39 -5.06 118.16 124.35 2kmr n LYS 11 Ca 0.00 -3.54 -0.26 0.00 -0.87 0.00 0.00 58.31 53.64 2kmr n LYS 11 Cb 0.48 -1.66 -0.06 0.00 0.02 0.00 0.00 35.03 33.82 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 -0.88 2.43 0.42 1.64 0.04 -1.24 -3.65 135.00 133.75 2kmr s PRO 12 Ca 0.33 -0.57 -0.11 0.00 0.04 0.00 0.00 61.00 60.70 2kmr s PRO 12 Cb 0.09 -5.11 -0.06 0.00 0.04 0.00 0.00 34.50 29.46 2kmr s PRO 12 CO -0.14 -3.74 0.79 0.14 0.04 0.00 0.00 177.00 174.09 2kmr s VAL 13 N 10.96 4.77 -0.50 -0.36 -7.23 -1.09 -4.88 120.40 122.06 2kmr s VAL 13 Ca 0.71 0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 61.26 2kmr s VAL 13 Cb -0.05 -3.74 0.02 0.00 0.56 0.00 0.00 36.38 33.18 2kmr s VAL 13 CO 0.05 -0.55 1.26 0.00 -0.31 0.00 0.00 175.10 175.55 2kmr s GLY 15 N 3.23 2.19 0.42 0.00 0.00 0.39 -4.92 107.32 108.63 2kmr s GLY 15 Ca 0.51 0.36 0.09 0.00 0.00 0.00 0.00 44.72 45.68 2kmr s GLY 15 CO 0.30 0.66 2.03 0.23 0.00 0.00 0.00 173.10 176.32 2kmr h SER 16 N 0.87 0.44 0.24 1.64 0.87 -1.84 -1.04 113.55 114.73 2kmr h SER 16 Ca -0.47 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2kmr h SER 16 Cb 1.21 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2kmr h SER 16 CO 0.59 0.30 0.00 0.47 -0.53 0.00 0.00 176.83 177.66 2kmr n ASP 17 N -4.48 0.00 0.00 6.23 8.00 -1.26 -4.87 116.55 120.17 2kmr n ASP 17 Ca 0.05 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2kmr n ASP 17 Cb 0.17 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.44 0.87 3.40 0.44 0.00 -0.39 -5.10 105.19 104.85 2kmr n GLY 18 Ca 0.12 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.49 1.44 0.22 1.61 0.52 -1.23 -4.93 118.95 116.08 2kmr s ARG 19 Ca 0.00 -1.49 -0.16 0.00 -0.52 0.00 0.00 55.73 53.57 2kmr s ARG 19 Cb 0.00 -1.69 -0.08 0.00 0.52 0.00 0.00 34.95 33.70 2kmr s ARG 19 CO 0.00 0.36 0.65 0.95 0.02 0.00 0.00 175.30 177.28 2kmr s THR 20 N -1.78 4.73 0.02 0.02 -4.23 -1.26 -0.46 115.64 112.69 2kmr s THR 20 Ca 0.19 0.96 0.01 0.00 -1.18 0.00 0.00 61.69 61.67 2kmr s THR 20 Cb -0.07 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.01 2kmr s THR 20 CO 0.09 0.10 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.92 2kmr s TYR 21 N -1.64 0.33 0.37 3.99 2.02 -1.12 -4.93 117.35 116.38 2kmr s TYR 21 Ca 0.44 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.81 2kmr s TYR 21 Cb -0.14 -0.22 0.71 0.00 -0.40 0.00 0.00 41.96 41.91 2kmr s TYR 21 CO 0.20 -0.12 1.89 0.00 -1.57 0.00 0.00 175.55 175.94 2kmr h ALA 22 N 4.95 1.44 -2.78 3.71 0.00 -1.91 -2.88 119.26 121.78 2kmr h ALA 22 Ca -0.31 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.18 2kmr h ALA 22 Cb 1.21 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 2kmr h ALA 22 CO 0.43 0.39 -0.32 -0.80 0.00 0.00 0.00 179.25 178.95 2kmr s ASN 23 N -6.84 0.37 0.37 0.00 0.01 -1.24 -1.26 114.94 106.34 2kmr s ASN 23 Ca -0.06 -1.28 0.07 0.00 -0.71 0.00 0.00 52.86 50.88 2kmr s ASN 23 Cb 0.15 0.54 0.71 0.00 0.41 0.00 0.00 41.25 43.06 2kmr s ASN 23 CO 0.74 -1.08 1.91 0.77 -1.51 0.00 0.00 177.10 177.93 2kmr h SER 24 N 2.33 0.36 0.34 -1.22 4.64 -1.86 -3.10 113.55 115.04 2kmr h SER 24 Ca -0.30 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2kmr h SER 24 Cb 1.25 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2kmr h SER 24 CO 0.42 0.46 -0.28 0.00 -0.87 0.00 0.00 176.83 176.56 2kmr h ILE 26 N -0.63 1.13 -0.15 0.00 6.09 -1.96 -1.22 117.51 120.78 2kmr h ILE 26 Ca -0.02 -0.54 0.01 0.00 -1.37 0.00 0.00 64.86 62.94 2kmr h ILE 26 Cb 0.55 1.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 2kmr h ILE 26 CO -0.02 0.17 0.07 0.00 -3.07 0.00 0.00 178.15 175.30 2kmr h ALA 27 N 1.75 0.17 -0.31 0.18 0.00 -1.44 -0.26 119.26 119.36 2kmr h ALA 27 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2kmr h ALA 27 Cb 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2kmr h ALA 27 CO 0.01 -0.36 0.08 0.00 0.00 0.00 0.00 179.25 178.98 2kmr h ARG 28 N 0.16 0.45 -0.13 0.00 3.08 -0.86 0.29 114.38 117.37 2kmr h ARG 28 Ca 0.06 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2kmr h ARG 28 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2kmr h ARG 28 CO -0.04 0.42 0.05 0.00 -1.07 0.00 0.00 179.97 179.33 2kmr h ASN 30 N 0.06 0.17 0.00 0.00 -0.26 -0.53 -3.47 115.58 111.54 2kmr h ASN 30 Ca 0.04 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2kmr h ASN 30 Cb 0.15 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 2kmr h ASN 30 CO -0.00 0.47 0.00 0.61 -1.06 0.00 0.00 177.43 177.44 2kmr n GLY 31 N -0.52 1.98 3.24 2.83 0.00 -0.12 -5.10 105.19 107.50 2kmr n GLY 31 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 1.33 0.22 1.61 1.01 -0.10 -4.99 120.40 117.48 2kmr s VAL 32 Ca 0.00 -1.67 0.11 0.00 0.00 0.00 0.00 61.98 60.43 2kmr s VAL 32 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2kmr s VAL 32 CO 0.00 -0.38 -0.22 -0.44 0.00 0.00 0.00 175.10 174.06 2kmr s SER 33 N -2.36 3.52 0.00 3.32 0.01 -1.26 -2.21 113.70 114.72 2kmr s SER 33 Ca 0.08 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2kmr s SER 33 Cb -0.06 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2kmr s SER 33 CO 0.03 0.09 0.00 -0.38 0.41 0.00 0.00 173.24 173.39 2kmr n ILE 34 N -0.03 0.00 -1.39 1.44 2.08 -1.26 -3.83 119.36 116.37 2kmr n ILE 34 Ca -0.10 -0.21 -0.07 0.00 0.56 0.00 0.00 62.75 62.93 2kmr n ILE 34 Cb 0.57 0.74 -0.03 0.00 -0.75 0.00 0.00 39.64 40.17 2kmr n ILE 34 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 2kmr n LYS 35 N -0.83 -1.36 -0.34 0.38 2.85 -1.26 -4.86 118.16 112.74 2kmr n LYS 35 Ca 0.00 0.40 0.01 0.00 -1.05 0.00 0.00 58.31 57.67 2kmr n LYS 35 Cb 0.00 -4.59 0.15 0.00 -0.65 0.00 0.00 35.03 29.93 2kmr n LYS 35 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2kmr h SER 36 N 0.00 0.94 -5.16 -5.58 0.87 -2.01 -3.44 113.55 99.16 2kmr h SER 36 Ca -0.15 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.33 2kmr h SER 36 Cb 0.55 -0.19 -0.14 0.00 -0.44 0.00 0.00 62.40 62.18 2kmr h SER 36 CO 0.21 0.61 -0.41 -0.70 -0.53 0.00 0.00 176.83 176.01 2kmr s GLU 37 N -6.06 0.81 -1.49 2.24 2.12 -1.26 -5.08 118.70 109.98 2kmr s GLU 37 Ca -0.13 -0.98 -0.08 0.00 0.36 0.00 0.00 54.97 54.14 2kmr s GLU 37 Cb 0.19 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.91 2kmr s GLU 37 CO 0.80 -0.25 2.68 0.41 -0.54 0.00 0.00 175.26 178.36 2kmr n GLY 38 N -0.03 4.67 3.71 -1.50 0.00 -1.26 -4.99 105.19 105.79 2kmr n GLY 38 Ca -0.15 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 2kmr n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kmr s SER 39 N 1.42 3.73 -0.40 1.61 0.15 -1.26 -5.05 113.70 113.90 2kmr s SER 39 Ca 0.62 2.12 0.08 0.00 0.70 0.00 0.00 55.95 59.47 2kmr s SER 39 Cb 0.18 -2.56 0.25 0.00 -1.71 0.00 0.00 66.02 62.18 2kmr s SER 39 CO -0.07 -2.57 0.56 0.00 1.20 0.00 0.00 173.24 172.36 2kmr s PRO 41 N -1.03 1.84 0.84 0.00 0.04 -1.26 -5.08 135.00 130.36 2kmr s PRO 41 Ca 0.35 0.99 -0.13 0.00 0.04 0.00 0.00 61.00 62.25 2kmr s PRO 41 Cb 0.18 -1.86 0.10 0.00 0.04 0.00 0.00 34.50 32.96 2kmr s PRO 41 CO -0.12 -1.88 1.19 0.95 0.04 0.00 0.00 177.00 177.18 2kmr s THR 42 N -2.93 2.00 -0.20 1.26 -4.23 -1.26 -4.56 115.64 105.71 2kmr s THR 42 Ca 0.62 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 2kmr s THR 42 Cb -0.17 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.70 2kmr s THR 42 CO 0.56 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2kmr n GLY 43 N -3.26 0.54 0.00 3.99 0.00 -1.26 -5.34 105.19 99.86 2kmr n GLY 43 Ca 0.09 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2kmr n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83