#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 4.26 -0.04 1.97 2.20 -1.26 -5.07 119.74 121.81 2kmr s LYS 2 Ca 0.00 2.01 -0.06 0.00 -0.36 0.00 0.00 55.97 57.57 2kmr s LYS 2 Cb 0.00 -2.93 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 2kmr s LYS 2 CO 0.00 -0.20 0.14 0.54 -0.36 0.00 0.00 175.35 175.48 2kmr s VAL 3 N -1.25 0.03 -0.08 4.02 0.11 -1.26 -5.06 120.40 116.92 2kmr s VAL 3 Ca 0.52 -0.25 0.09 0.00 -2.93 0.00 0.00 61.98 59.41 2kmr s VAL 3 Cb -0.35 -0.29 -0.13 0.00 -1.53 0.00 0.00 36.38 34.08 2kmr s VAL 3 CO 0.46 -0.14 0.22 0.00 -3.33 0.00 0.00 175.10 172.31 2kmr n ALA 5 N -1.71 -1.04 -1.50 0.00 0.00 -1.26 -4.94 120.51 110.06 2kmr n ALA 5 Ca -0.01 0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 2kmr n ALA 5 Cb 0.22 -2.11 0.07 0.00 0.00 0.00 0.00 19.45 17.63 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 -3.73 2.28 0.00 0.00 0.04 -1.26 -4.95 135.00 127.37 2kmr s PRO 7 Ca 0.76 1.36 0.21 0.00 0.04 0.00 0.00 61.00 63.37 2kmr s PRO 7 Cb -0.30 -1.89 0.94 0.00 0.04 0.00 0.00 34.50 33.29 2kmr s PRO 7 CO 0.42 -1.65 1.67 1.63 0.04 0.00 0.00 177.00 179.11 2kmr n LYS 8 N -3.13 0.08 -1.68 4.56 4.76 -1.26 -4.90 118.16 116.60 2kmr n LYS 8 Ca 0.10 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 55.24 2kmr n LYS 8 Cb 0.52 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.20 2kmr n LYS 8 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 2kmr n ILE 9 N -1.45 1.70 -3.82 -0.18 0.00 -1.26 -5.01 119.36 109.36 2kmr n ILE 9 Ca 0.06 -0.43 -0.35 0.00 0.00 0.00 0.00 62.75 62.03 2kmr n ILE 9 Cb 0.22 -1.49 -0.12 0.00 0.00 0.00 0.00 39.64 38.25 2kmr n ILE 9 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2kmr s LEU 10 N -0.56 5.06 -0.45 9.51 2.96 -1.26 -4.59 118.68 129.35 2kmr s LEU 10 Ca 0.59 -1.97 0.06 0.00 -0.22 0.00 0.00 54.13 52.59 2kmr s LEU 10 Cb -0.60 -1.80 0.19 0.00 0.50 0.00 0.00 46.19 44.48 2kmr s LEU 10 CO 0.58 -0.50 0.54 1.17 -1.32 0.00 0.00 176.35 176.83 2kmr n LYS 11 N 4.56 0.41 -2.20 1.98 4.81 -1.04 -5.06 118.16 121.62 2kmr n LYS 11 Ca -0.03 -2.66 -0.42 0.00 -0.87 0.00 0.00 58.31 54.33 2kmr n LYS 11 Cb 0.42 -1.54 -0.02 0.00 0.02 0.00 0.00 35.03 33.91 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 0.27 3.36 0.46 1.64 0.04 -1.13 -4.34 135.00 135.29 2kmr s PRO 12 Ca 0.32 1.00 0.07 0.00 0.04 0.00 0.00 61.00 62.43 2kmr s PRO 12 Cb 0.05 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.46 2kmr s PRO 12 CO -0.14 -1.84 0.41 0.14 0.04 0.00 0.00 177.00 175.62 2kmr s VAL 13 N 6.39 2.38 0.56 -0.36 -7.23 -1.26 -4.96 120.40 115.92 2kmr s VAL 13 Ca 0.67 -1.35 -0.16 0.00 -1.81 0.00 0.00 61.98 59.32 2kmr s VAL 13 Cb -0.16 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 2kmr s VAL 13 CO 0.31 0.00 1.04 0.00 -0.31 0.00 0.00 175.10 176.13 2kmr s GLY 15 N -2.76 1.57 0.37 0.00 0.00 -0.75 -4.98 107.32 100.77 2kmr s GLY 15 Ca 0.63 -1.52 0.09 0.00 0.00 0.00 0.00 44.72 43.91 2kmr s GLY 15 CO 0.33 -1.54 1.93 0.23 0.00 0.00 0.00 173.10 174.05 2kmr h SER 16 N 3.49 0.60 0.93 1.64 0.87 -1.89 -1.31 113.55 117.88 2kmr h SER 16 Ca -0.47 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2kmr h SER 16 Cb 1.19 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2kmr h SER 16 CO 0.45 0.35 -0.00 -0.67 -0.53 0.00 0.00 176.83 176.43 2kmr n ASP 17 N -4.50 0.00 -0.59 6.23 2.03 -1.26 -4.93 116.55 113.53 2kmr n ASP 17 Ca 0.13 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.83 2kmr n ASP 17 Cb 0.35 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 2kmr n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kmr n GLY 18 N 1.47 0.62 3.29 0.27 0.00 -0.49 -5.13 105.19 105.22 2kmr n GLY 18 Ca 0.08 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.86 1.56 -0.00 1.61 1.81 -1.25 -4.99 118.95 115.84 2kmr s ARG 19 Ca 0.00 -1.88 0.01 0.00 -1.72 0.00 0.00 55.73 52.14 2kmr s ARG 19 Cb 0.00 0.09 -0.00 0.00 -0.45 0.00 0.00 34.95 34.59 2kmr s ARG 19 CO 0.00 -0.49 -0.03 0.99 -0.68 0.00 0.00 175.30 175.08 2kmr s THR 20 N -3.68 0.24 0.08 0.02 2.01 -1.26 -1.82 115.64 111.23 2kmr s THR 20 Ca 0.38 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2kmr s THR 20 Cb 0.05 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 2kmr s THR 20 CO 0.19 0.04 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.84 2kmr s TYR 21 N -0.14 0.67 0.11 4.92 2.02 -1.26 -5.05 117.35 118.63 2kmr s TYR 21 Ca 0.00 -1.08 -0.17 0.00 -0.37 0.00 0.00 57.07 55.45 2kmr s TYR 21 Cb -0.02 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.07 2kmr s TYR 21 CO -0.00 -0.37 1.62 0.00 -1.57 0.00 0.00 175.55 175.22 2kmr h ALA 22 N 3.05 0.44 -4.08 3.71 0.00 -1.94 -3.35 119.26 117.08 2kmr h ALA 22 Ca -0.35 -0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.10 2kmr h ALA 22 Cb 1.16 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2kmr h ALA 22 CO 0.64 0.10 -0.21 0.27 0.00 0.00 0.00 179.25 180.05 2kmr n ASN 23 N -4.64 -1.02 0.19 0.00 0.23 -1.26 -2.48 115.26 106.27 2kmr n ASN 23 Ca -0.02 -2.73 0.03 0.00 -0.53 0.00 0.00 54.58 51.33 2kmr n ASN 23 Cb 0.18 2.00 0.40 0.00 -2.08 0.00 0.00 39.78 40.28 2kmr n ASN 23 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2kmr h SER 24 N 1.74 0.02 0.50 0.53 4.64 -1.89 -2.98 113.55 116.12 2kmr h SER 24 Ca -0.23 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 2kmr h SER 24 Cb 1.04 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2kmr h SER 24 CO 0.32 0.33 -0.24 0.00 -0.87 0.00 0.00 176.83 176.36 2kmr h ILE 26 N -0.93 1.08 -0.46 0.00 6.09 -1.96 -1.19 117.51 120.15 2kmr h ILE 26 Ca -0.07 -0.37 -0.00 0.00 -1.37 0.00 0.00 64.86 63.05 2kmr h ILE 26 Cb 0.60 -0.08 -0.02 0.00 0.47 0.00 0.00 36.82 37.79 2kmr h ILE 26 CO 0.11 0.20 0.27 0.00 -3.07 0.00 0.00 178.15 175.66 2kmr h ALA 27 N 1.49 0.59 -0.56 0.18 0.00 -1.54 0.27 119.26 119.69 2kmr h ALA 27 Ca 0.39 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2kmr h ALA 27 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2kmr h ALA 27 CO -0.14 0.09 0.12 -0.09 0.00 0.00 0.00 179.25 179.22 2kmr h ARG 28 N 0.61 0.91 -0.41 0.00 9.65 -0.94 -0.65 114.38 123.55 2kmr h ARG 28 Ca 0.16 -0.23 -0.07 0.00 -1.10 0.00 0.00 59.98 58.74 2kmr h ARG 28 Cb 0.01 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 2kmr h ARG 28 CO -0.03 0.86 -0.05 0.00 2.80 0.00 0.00 179.97 183.55 2kmr h ASN 30 N 0.63 -0.29 0.00 0.00 -0.73 -0.73 -3.48 115.58 110.98 2kmr h ASN 30 Ca 0.12 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.09 2kmr h ASN 30 Cb 0.47 0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.13 2kmr h ASN 30 CO 0.02 0.07 0.00 0.61 -0.37 0.00 0.00 177.43 177.76 2kmr n GLY 31 N -0.31 -0.03 3.13 1.57 0.00 -0.37 -5.09 105.19 104.08 2kmr n GLY 31 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 1.25 -0.77 1.61 1.01 -0.49 -5.02 120.40 117.99 2kmr s VAL 32 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 2kmr s VAL 32 Cb 0.00 -1.05 0.12 0.00 0.00 0.00 0.00 36.38 35.45 2kmr s VAL 32 CO 0.00 0.36 0.94 -0.55 0.00 0.00 0.00 175.10 175.85 2kmr s SER 33 N -0.24 6.44 -0.09 3.32 0.15 -1.26 -3.10 113.70 118.91 2kmr s SER 33 Ca 0.03 -1.75 0.19 0.00 0.70 0.00 0.00 55.95 55.12 2kmr s SER 33 Cb -0.07 -2.35 -0.26 0.00 -1.71 0.00 0.00 66.02 61.62 2kmr s SER 33 CO 0.00 -1.09 0.35 -0.38 1.20 0.00 0.00 173.24 173.32 2kmr n ILE 34 N 5.41 0.84 0.15 6.45 2.08 -1.26 -4.40 119.36 128.63 2kmr n ILE 34 Ca 0.08 -0.70 0.03 0.00 0.56 0.00 0.00 62.75 62.73 2kmr n ILE 34 Cb 0.46 -0.34 0.07 0.00 -0.75 0.00 0.00 39.64 39.09 2kmr n ILE 34 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2kmr h LYS 35 N 0.00 0.00 -5.27 0.38 6.56 -1.89 -3.48 116.57 112.87 2kmr h LYS 35 Ca -0.28 0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 58.91 2kmr h LYS 35 Cb 1.67 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.31 2kmr h LYS 35 CO 0.02 0.48 -0.61 0.45 -2.06 0.00 0.00 179.45 177.73 2kmr n SER 36 N -3.26 -4.78 -4.58 0.86 2.88 -1.26 -4.95 113.62 98.53 2kmr n SER 36 Ca 0.02 -0.42 -0.30 0.00 -1.33 0.00 0.00 58.87 56.84 2kmr n SER 36 Cb 0.70 -3.89 0.21 0.00 -0.75 0.00 0.00 64.21 60.48 2kmr n SER 36 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kmr s GLU 37 N -6.01 -0.01 0.00 -1.46 0.41 -1.26 -4.49 118.70 105.88 2kmr s GLU 37 Ca 0.42 1.24 0.00 0.00 -0.41 0.00 0.00 54.97 56.22 2kmr s GLU 37 Cb -0.21 -1.63 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 2kmr s GLU 37 CO 0.51 -3.23 0.00 0.41 -0.49 0.00 0.00 175.26 172.46 2kmr n GLY 38 N 0.61 0.93 0.09 -1.39 0.00 -1.26 -4.95 105.19 99.21 2kmr n GLY 38 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2kmr n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kmr n SER 39 N 0.00 2.94 -4.18 1.61 7.64 -1.26 -5.07 113.62 115.31 2kmr n SER 39 Ca 0.00 -0.06 -0.14 0.00 1.01 0.00 0.00 58.87 59.68 2kmr n SER 39 Cb 0.00 -0.20 -0.11 0.00 -1.01 0.00 0.00 64.21 62.89 2kmr n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kmr n PRO 41 N 0.51 0.14 -2.04 0.00 -0.04 -1.26 -4.79 135.00 127.52 2kmr n PRO 41 Ca -0.16 0.32 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 2kmr n PRO 41 Cb 0.58 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 2kmr n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2kmr s THR 42 N -3.18 2.80 0.00 0.52 2.01 -1.26 -4.87 115.64 111.66 2kmr s THR 42 Ca 0.07 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.70 2kmr s THR 42 Cb 0.10 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2kmr s THR 42 CO 0.40 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 2kmr n GLY 43 N 2.71 -1.59 0.00 4.40 0.00 -1.26 -4.83 105.19 104.62 2kmr n GLY 43 Ca 0.09 0.53 0.04 0.00 0.00 0.00 0.00 46.02 46.68 2kmr n GLY 43 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71