#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgo s ALA 22 N 0.00 2.90 0.04 -5.12 0.00 -1.26 -4.98 121.76 113.34 2kgo s ALA 22 Ca 0.00 -2.40 0.06 0.00 0.00 0.00 0.00 51.96 49.61 2kgo s ALA 22 Cb 0.00 -4.39 -0.02 0.00 0.00 0.00 0.00 23.12 18.71 2kgo s ALA 22 CO 0.00 -3.44 -0.16 0.45 0.00 0.00 0.00 175.76 172.61 2kgo s SER 23 N 4.59 1.89 0.60 0.00 0.15 -1.26 -4.92 113.70 114.76 2kgo s SER 23 Ca 0.42 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2kgo s SER 23 Cb -0.01 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2kgo s SER 23 CO -0.10 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2kgo n GLY 24 N 1.93 0.92 5.00 9.45 0.00 -1.26 -4.87 105.19 116.36 2kgo n GLY 24 Ca -0.18 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2kgo n GLY 24 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2kgo n TRP 25 N 0.00 0.00 0.47 1.61 4.27 -1.26 -0.52 117.44 122.02 2kgo n TRP 25 Ca 0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 2kgo n TRP 25 Cb 0.00 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 29.94 2kgo n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2kgo n ALA 26 N 0.00 2.95 -3.46 -1.67 0.00 -1.26 -3.95 120.51 113.12 2kgo n ALA 26 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 53.44 52.80 2kgo n ALA 26 Cb 0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.91 2kgo n ALA 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kgo s ASN 27 N -1.51 1.45 0.07 0.00 0.01 0.33 -4.68 114.94 110.61 2kgo s ASN 27 Ca 0.08 -0.23 -0.27 0.00 -0.71 0.00 0.00 52.86 51.72 2kgo s ASN 27 Cb 0.08 -0.65 0.09 0.00 0.41 0.00 0.00 41.25 41.18 2kgo s ASN 27 CO 0.30 0.01 1.04 -0.62 -1.51 0.00 0.00 177.10 176.31 2kgo s ASP 28 N 0.68 -0.18 0.03 -1.22 2.15 -1.26 -4.38 116.67 112.48 2kgo s ASP 28 Ca -0.12 -0.26 -0.25 0.00 0.43 0.00 0.00 52.55 52.35 2kgo s ASP 28 Cb -0.15 0.38 -0.18 0.00 -0.30 0.00 0.00 42.92 42.68 2kgo s ASP 28 CO 0.02 -0.68 1.46 -0.78 -0.17 0.00 0.00 175.17 175.02 2kgo h ASP 29 N 2.00 -0.08 -0.63 -0.34 3.58 -2.01 -2.77 116.42 116.17 2kgo h ASP 29 Ca -0.24 -0.23 -0.16 0.00 0.42 0.00 0.00 57.03 56.81 2kgo h ASP 29 Cb 1.22 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 42.20 2kgo h ASP 29 CO 0.27 0.19 0.18 0.00 -2.88 0.00 0.00 179.24 177.00 2kgo n ALA 30 N -2.27 4.28 0.00 -0.78 0.00 -1.26 -3.71 120.51 116.78 2kgo n ALA 30 Ca -0.08 -2.36 0.00 0.00 0.00 0.00 0.00 53.44 50.99 2kgo n ALA 30 Cb 0.17 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2kgo n ALA 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kgo n VAL 31 N -0.20 0.00 0.29 0.00 3.14 -1.23 -4.61 118.33 115.72 2kgo n VAL 31 Ca 0.36 -0.05 0.12 0.00 -2.96 0.00 0.00 64.34 61.82 2kgo n VAL 31 Cb 1.28 0.52 0.55 0.00 -1.06 0.00 0.00 33.84 35.13 2kgo n VAL 31 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2kgo n ASN 32 N -1.32 0.66 0.31 6.55 5.15 -1.05 -2.38 115.26 123.18 2kgo n ASN 32 Ca 0.00 0.72 0.18 0.00 -0.60 0.00 0.00 54.58 54.88 2kgo n ASN 32 Cb 0.00 -0.84 1.00 0.00 -0.53 0.00 0.00 39.78 39.42 2kgo n ASN 32 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2kgo h GLU 33 N 0.00 0.00 0.00 1.20 5.08 -1.82 -1.57 114.58 117.47 2kgo h GLU 33 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2kgo h GLU 33 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kgo h GLU 33 CO 0.00 0.02 -0.46 1.96 -1.00 0.00 0.00 179.01 179.53 2kgo h GLN 34 N 0.00 0.00 -0.18 2.33 4.20 -1.82 -3.06 115.11 116.58 2kgo h GLN 34 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 2kgo h GLN 34 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2kgo h GLN 34 CO 0.00 0.46 -0.52 0.82 -0.67 0.00 0.00 178.83 178.92 2kgo h ILE 35 N 0.00 1.33 -4.32 2.54 1.08 -1.48 -3.44 117.51 113.21 2kgo h ILE 35 Ca -0.00 -1.77 -0.51 0.00 -0.39 0.00 0.00 64.86 62.19 2kgo h ILE 35 Cb 1.30 1.76 0.11 0.00 -3.07 0.00 0.00 36.82 36.92 2kgo h ILE 35 CO 0.06 0.55 0.34 0.21 -0.69 0.00 0.00 178.15 178.62 2kgo s ASN 36 N -6.90 4.92 0.00 1.72 2.47 -1.13 -3.91 114.94 112.11 2kgo s ASN 36 Ca -0.07 1.74 0.00 0.00 0.42 0.00 0.00 52.86 54.95 2kgo s ASN 36 Cb 0.12 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 2kgo s ASN 36 CO 0.83 -1.76 0.00 -1.20 -3.72 0.00 0.00 177.10 171.25 2kgo n SER 37 N -3.31 0.00 -0.03 -4.21 7.64 -1.26 -4.90 113.62 107.55 2kgo n SER 37 Ca 0.08 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.83 2kgo n SER 37 Cb 0.53 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.38 2kgo n SER 37 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2kgo h THR 38 N 0.00 1.44 0.01 0.44 2.02 -1.86 -2.99 112.91 111.97 2kgo h THR 38 Ca 0.00 -1.39 -0.24 0.00 0.77 0.00 0.00 66.41 65.55 2kgo h THR 38 Cb 0.00 2.31 0.01 0.00 -1.74 0.00 0.00 68.15 68.72 2kgo h THR 38 CO 0.00 0.37 -0.99 0.40 0.37 0.00 0.00 175.52 175.68 2kgo h ILE 39 N -0.45 1.37 0.00 3.11 5.03 -1.90 -3.08 117.51 121.58 2kgo h ILE 39 Ca 0.00 -2.41 -0.07 0.00 -0.12 0.00 0.00 64.86 62.26 2kgo h ILE 39 Cb 0.64 2.43 -0.01 0.00 -3.03 0.00 0.00 36.82 36.85 2kgo h ILE 39 CO 0.01 0.73 -0.34 1.05 -0.68 0.00 0.00 178.15 178.92 2kgo h GLU 40 N 0.27 0.00 -0.59 2.37 4.11 -1.98 -2.51 114.58 116.25 2kgo h GLU 40 Ca -0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 2kgo h GLU 40 Cb 1.63 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 2kgo h GLU 40 CO 0.18 0.34 0.26 0.22 0.07 0.00 0.00 179.01 180.07 2kgo h ASP 41 N 0.00 0.76 -0.25 3.06 3.58 -1.43 -0.61 116.42 121.52 2kgo h ASP 41 Ca -0.00 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.30 2kgo h ASP 41 Cb 0.96 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 2kgo h ASP 41 CO 0.04 0.66 -0.05 0.00 -2.88 0.00 0.00 179.24 177.02 2kgo h ALA 42 N 1.45 1.23 0.00 -0.78 0.00 -1.46 -1.57 119.26 118.13 2kgo h ALA 42 Ca 0.20 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2kgo h ALA 42 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kgo h ALA 42 CO -0.02 0.51 -0.75 0.82 0.00 0.00 0.00 179.25 179.80 2kgo h ILE 43 N 0.57 1.49 -0.16 0.00 1.08 -1.33 -2.06 117.51 117.11 2kgo h ILE 43 Ca 0.11 -2.62 -0.19 0.00 -0.39 0.00 0.00 64.86 61.77 2kgo h ILE 43 Cb 0.43 2.43 -0.00 0.00 -3.07 0.00 0.00 36.82 36.62 2kgo h ILE 43 CO 0.02 0.74 -0.66 0.00 -0.69 0.00 0.00 178.15 177.55 2kgo h ALA 44 N 1.25 0.54 0.00 1.87 0.00 -0.84 -2.44 119.26 119.64 2kgo h ALA 44 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2kgo h ALA 44 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2kgo h ALA 44 CO 0.10 0.71 -0.20 2.89 0.00 0.00 0.00 179.25 182.75 2kgo n ARG 45 N -3.92 0.04 -0.02 0.00 1.85 -0.62 -2.16 116.66 111.83 2kgo n ARG 45 Ca -0.05 0.02 -0.01 0.00 -1.00 0.00 0.00 57.85 56.82 2kgo n ARG 45 Cb 0.68 -1.54 -0.00 0.00 -1.05 0.00 0.00 32.46 30.55 2kgo n ARG 45 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kgo h ALA 46 N 2.93 0.00 0.00 2.89 0.00 -1.27 -3.45 119.26 120.37 2kgo h ALA 46 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kgo h ALA 46 Cb 0.53 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kgo h ALA 46 CO 0.00 0.07 0.00 2.89 0.00 0.00 0.00 179.25 182.21 2kgo n ARG 47 N -3.00 0.14 -1.56 0.00 1.85 -0.94 -5.01 116.66 108.14 2kgo n ARG 47 Ca -0.01 -0.52 -0.10 0.00 -1.00 0.00 0.00 57.85 56.23 2kgo n ARG 47 Cb 0.04 -0.77 -0.03 0.00 -1.05 0.00 0.00 32.46 30.64 2kgo n ARG 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kgo n GLY 48 N -0.09 0.78 0.29 2.89 0.00 -0.92 -4.93 105.19 103.22 2kgo n GLY 48 Ca 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 2kgo n GLY 48 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kgo h GLU 49 N 0.00 0.98 -6.31 1.61 4.57 -1.80 -3.41 114.58 110.23 2kgo h GLU 49 Ca -0.21 -0.16 -0.55 0.00 -1.18 0.00 0.00 59.36 57.26 2kgo h GLU 49 Cb 0.80 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 2kgo h GLU 49 CO 0.29 0.80 0.08 0.42 -1.18 0.00 0.00 179.01 179.42 2kgo s ILE 50 N -5.62 4.65 0.05 2.32 -1.09 -1.26 -5.00 121.20 115.25 2kgo s ILE 50 Ca -0.13 1.47 -0.01 0.00 -2.23 0.00 0.00 60.65 59.76 2kgo s ILE 50 Cb 0.14 -4.03 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 2kgo s ILE 50 CO 0.80 0.47 0.04 -0.81 -1.23 0.00 0.00 174.94 174.22 2kgo n PRO 51 N 2.13 -1.41 0.00 2.79 -0.04 -1.26 -4.58 135.00 132.63 2kgo n PRO 51 Ca -0.06 -0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.40 2kgo n PRO 51 Cb 0.50 -0.07 0.33 0.00 -0.04 0.00 0.00 33.50 34.22 2kgo n PRO 51 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kgo n ARG 52 N -1.80 0.04 0.00 0.54 5.12 -1.26 -4.76 116.66 114.54 2kgo n ARG 52 Ca 0.01 0.23 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 2kgo n ARG 52 Cb 0.02 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 2kgo n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kgo n GLY 53 N 0.03 1.94 3.94 -0.13 0.00 -1.26 -5.14 105.19 104.57 2kgo n GLY 53 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2kgo n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kgo s GLU 54 N -0.23 1.62 0.57 1.61 2.02 -1.26 -3.26 118.70 119.77 2kgo s GLU 54 Ca 0.00 -0.49 -0.15 0.00 0.02 0.00 0.00 54.97 54.35 2kgo s GLU 54 Cb 0.00 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 2kgo s GLU 54 CO 0.00 -1.63 1.02 0.45 0.02 0.00 0.00 175.26 175.11 2kgo s SER 55 N -4.68 6.25 0.51 -0.19 0.15 -1.26 -3.89 113.70 110.60 2kgo s SER 55 Ca 0.66 1.59 0.06 0.00 0.70 0.00 0.00 55.95 58.95 2kgo s SER 55 Cb -0.07 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2kgo s SER 55 CO 0.47 -0.85 0.38 -1.48 1.20 0.00 0.00 173.24 172.97 2kgo s LEU 56 N -4.55 2.87 0.00 3.45 0.05 -1.24 -4.91 118.68 114.35 2kgo s LEU 56 Ca 0.59 -1.14 0.06 0.00 0.05 0.00 0.00 54.13 53.69 2kgo s LEU 56 Cb -0.12 -1.37 0.13 0.00 -2.05 0.00 0.00 46.19 42.78 2kgo s LEU 56 CO 0.40 -0.98 0.97 -0.90 -0.55 0.00 0.00 176.35 175.29 2kgo n ASP 57 N -1.68 2.13 -3.70 1.48 5.75 -1.26 -4.80 116.55 114.47 2kgo n ASP 57 Ca -0.00 -1.69 -0.25 0.00 -0.01 0.00 0.00 54.79 52.83 2kgo n ASP 57 Cb 0.64 -0.08 -0.17 0.00 -1.03 0.00 0.00 41.12 40.48 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kgo s GLU 58 N -0.81 0.37 -0.23 0.11 2.02 -1.26 -1.98 118.70 116.91 2kgo s GLU 58 Ca 0.11 -0.10 -0.39 0.00 0.02 0.00 0.00 54.97 54.62 2kgo s GLU 58 Cb 0.06 -1.57 -0.15 0.00 0.10 0.00 0.00 34.13 32.58 2kgo s GLU 58 CO 0.09 -0.54 1.77 0.00 0.02 0.00 0.00 175.26 176.60 2kgo n GLU 60 N 5.61 0.31 0.00 0.00 0.28 -0.51 -0.69 120.64 125.64 2kgo n GLU 60 Ca 0.26 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 2kgo n GLU 60 Cb 0.16 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.53 2kgo n GLU 60 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2kgo n GLU 61 N -1.27 0.00 -0.44 3.44 -0.58 -1.26 -4.77 120.64 115.76 2kgo n GLU 61 Ca 0.10 0.08 0.08 0.00 -0.42 0.00 0.00 57.16 57.01 2kgo n GLU 61 Cb 0.15 -0.51 0.28 0.00 -0.57 0.00 0.00 31.44 30.80 2kgo n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kgo n GLY 63 N 0.72 -0.19 3.78 0.00 0.00 0.13 -4.96 105.19 104.67 2kgo n GLY 63 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2kgo n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgo s ALA 64 N -2.42 3.36 -0.20 4.61 0.00 -1.26 -4.61 121.76 121.24 2kgo s ALA 64 Ca 0.00 0.42 -0.38 0.00 0.00 0.00 0.00 51.96 51.99 2kgo s ALA 64 Cb 0.00 -3.04 -0.15 0.00 0.00 0.00 0.00 23.12 19.93 2kgo s ALA 64 CO 0.00 0.25 1.75 -2.30 0.00 0.00 0.00 175.76 175.46 2kgo n PRO 65 N 1.11 1.41 -2.40 0.00 -0.02 -1.26 -1.46 135.00 132.38 2kgo n PRO 65 Ca -0.02 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 2kgo n PRO 65 Cb 0.49 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2kgo n PRO 65 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kgo s ILE 66 N 3.42 4.23 0.48 4.25 -1.09 -0.84 -4.79 121.20 126.87 2kgo s ILE 66 Ca 0.96 1.48 -0.21 0.00 -2.23 0.00 0.00 60.65 60.65 2kgo s ILE 66 Cb -0.97 -3.98 -0.08 0.00 -1.58 0.00 0.00 42.46 35.85 2kgo s ILE 66 CO 0.61 -0.16 1.09 -2.16 -1.23 0.00 0.00 174.94 173.09 2kgo s PRO 67 N 3.59 3.72 0.57 2.79 0.04 -1.26 -4.86 135.00 139.60 2kgo s PRO 67 Ca 0.56 1.54 0.31 0.00 0.04 0.00 0.00 61.00 63.45 2kgo s PRO 67 Cb -0.22 -2.20 1.76 0.00 0.04 0.00 0.00 34.50 33.88 2kgo s PRO 67 CO 0.16 -0.53 2.20 -0.56 0.04 0.00 0.00 177.00 178.31 2kgo h GLN 68 N 1.70 0.00 -0.62 4.56 -0.00 -1.98 -1.82 115.11 116.96 2kgo h GLN 68 Ca -0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.08 2kgo h GLN 68 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.69 2kgo h GLN 68 CO 0.59 0.04 0.08 0.00 -0.00 0.00 0.00 178.83 179.54 2kgo h ALA 69 N 1.96 0.97 -0.11 0.06 0.00 -2.00 -1.53 119.26 118.60 2kgo h ALA 69 Ca -0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 2kgo h ALA 69 Cb 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2kgo h ALA 69 CO 0.01 0.64 -0.72 0.00 0.00 0.00 0.00 179.25 179.18 2kgo h ARG 70 N 0.96 0.51 -0.68 0.00 2.47 -1.72 -2.80 114.38 113.11 2kgo h ARG 70 Ca 0.19 -0.40 -0.06 0.00 -1.26 0.00 0.00 59.98 58.44 2kgo h ARG 70 Cb 0.45 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 2kgo h ARG 70 CO 0.02 1.03 0.18 0.00 0.56 0.00 0.00 179.97 181.75 2kgo h ARG 71 N 0.35 1.07 0.10 0.04 3.08 -1.22 -1.24 114.38 116.56 2kgo h ARG 71 Ca -0.03 -0.25 -0.27 0.00 0.07 0.00 0.00 59.98 59.50 2kgo h ARG 71 Cb 1.30 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2kgo h ARG 71 CO 0.13 0.95 -1.30 1.05 -1.07 0.00 0.00 179.97 179.73 2kgo h GLU 72 N 1.00 0.21 -0.18 0.04 4.11 -1.37 -3.33 114.58 115.07 2kgo h GLU 72 Ca 0.21 -0.36 -0.09 0.00 0.07 0.00 0.00 59.36 59.20 2kgo h GLU 72 Cb 0.35 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2kgo h GLU 72 CO -0.00 1.12 -0.23 0.00 0.07 0.00 0.00 179.01 179.98 2kgo h ALA 73 N 0.64 0.26 -3.76 1.06 0.00 -1.47 -3.42 119.26 112.57 2kgo h ALA 73 Ca -0.15 -0.37 -0.65 0.00 0.00 0.00 0.00 54.91 53.74 2kgo h ALA 73 Cb 1.95 -0.05 -0.38 0.00 0.00 0.00 0.00 17.79 19.31 2kgo h ALA 73 CO 0.18 0.22 -0.78 0.42 0.00 0.00 0.00 179.25 179.29 2kgo s ILE 74 N -4.21 2.04 -0.78 0.00 1.01 -0.47 -5.07 121.20 113.71 2kgo s ILE 74 Ca -0.14 -1.72 -0.25 0.00 0.00 0.00 0.00 60.65 58.54 2kgo s ILE 74 Cb 0.06 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 2kgo s ILE 74 CO 0.78 -0.20 1.72 -2.16 0.00 0.00 0.00 174.94 175.09 2kgo s PRO 75 N 1.12 2.85 0.00 2.79 0.04 -1.26 -2.54 135.00 138.01 2kgo s PRO 75 Ca -0.03 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2kgo s PRO 75 Cb -0.19 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.65 2kgo s PRO 75 CO -0.07 -2.74 0.00 0.41 0.04 0.00 0.00 177.00 174.64 2kgo n GLY 76 N 6.17 1.60 3.74 0.56 0.00 -1.20 -4.71 105.19 111.34 2kgo n GLY 76 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2kgo n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgo s VAL 77 N -2.00 2.71 -0.04 1.61 0.11 -1.05 -4.86 120.40 116.88 2kgo s VAL 77 Ca 0.00 0.57 0.17 0.00 -2.93 0.00 0.00 61.98 59.79 2kgo s VAL 77 Cb 0.00 -3.36 -0.26 0.00 -1.53 0.00 0.00 36.38 31.22 2kgo s VAL 77 CO 0.00 0.08 0.34 0.54 -3.33 0.00 0.00 175.10 172.73 2kgo n ARG 78 N 2.82 0.63 -5.17 1.54 3.00 -1.26 -3.68 116.66 114.53 2kgo n ARG 78 Ca 0.09 -0.14 -0.30 0.00 -0.01 0.00 0.00 57.85 57.48 2kgo n ARG 78 Cb 0.40 -1.41 -0.16 0.00 0.00 0.00 0.00 32.46 31.28 2kgo n ARG 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kgo s LEU 79 N -4.32 2.04 0.81 0.55 1.43 -1.26 -1.42 118.68 116.50 2kgo s LEU 79 Ca -0.07 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 2kgo s LEU 79 Cb 0.10 -1.29 0.09 0.00 0.03 0.00 0.00 46.19 45.12 2kgo s LEU 79 CO 0.71 0.22 1.15 0.00 0.23 0.00 0.00 176.35 178.66 2kgo h ILE 81 N -1.14 0.43 0.06 0.00 2.10 -1.95 0.76 117.51 117.77 2kgo h ILE 81 Ca -0.45 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.49 2kgo h ILE 81 Cb 1.27 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 2kgo h ILE 81 CO 0.47 0.00 -0.03 0.45 -1.08 0.00 0.00 178.15 177.96 2kgo h HIS 82 N 0.00 -0.08 0.00 2.19 3.86 -1.99 -0.05 115.15 119.08 2kgo h HIS 82 Ca 0.30 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2kgo h HIS 82 Cb 1.41 0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.90 2kgo h HIS 82 CO 0.00 0.50 -0.02 0.00 0.86 0.00 0.00 177.93 179.27 2kgo h GLN 84 N 0.00 0.01 -0.24 0.00 -0.00 -0.97 -3.32 115.11 110.60 2kgo h GLN 84 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 2kgo h GLN 84 Cb 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.87 2kgo h GLN 84 CO 0.00 1.01 0.10 -0.56 0.00 0.00 0.00 178.83 179.38 2kgo h GLN 85 N -0.97 0.32 -0.30 1.69 3.07 -0.96 0.03 115.11 118.00 2kgo h GLN 85 Ca -0.17 -0.03 -0.09 0.00 0.09 0.00 0.00 58.65 58.45 2kgo h GLN 85 Cb 1.17 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.66 2kgo h GLN 85 CO -0.09 0.27 -0.14 1.05 0.09 0.00 0.00 178.83 180.00 2kgo h GLU 86 N 0.33 0.63 -0.56 0.06 4.11 -1.75 -3.09 114.58 114.32 2kgo h GLU 86 Ca 0.08 -0.27 -0.02 0.00 0.07 0.00 0.00 59.36 59.22 2kgo h GLU 86 Cb 0.06 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2kgo h GLU 86 CO -0.01 0.86 0.27 0.87 0.07 0.00 0.00 179.01 181.06 2kgo h LYS 87 N 0.38 0.78 0.00 1.06 1.79 -1.15 -1.96 116.57 117.46 2kgo h LYS 87 Ca 0.07 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2kgo h LYS 87 Cb 0.67 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2kgo h LYS 87 CO 0.04 0.60 -0.06 0.22 -1.08 0.00 0.00 179.45 179.18 2kgo h ASP 88 N 0.78 0.00 0.51 0.86 3.58 -1.11 -1.02 116.42 120.02 2kgo h ASP 88 Ca 0.19 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.43 2kgo h ASP 88 Cb 0.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2kgo h ASP 88 CO -0.03 0.06 -0.93 -0.07 -2.88 0.00 0.00 179.24 175.39 2kgo h LEU 89 N 0.00 0.36 -0.24 2.28 3.38 -1.28 -3.30 115.31 116.51 2kgo h LEU 89 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2kgo h LEU 89 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kgo h LEU 89 CO 0.01 1.11 -0.09 0.00 0.09 0.00 0.00 178.44 179.55 2kgo n GLN 90 N -3.67 0.74 -1.65 1.13 1.13 -0.45 -4.90 117.38 109.71 2kgo n GLN 90 Ca -0.05 -0.24 -0.42 0.00 -1.94 0.00 0.00 57.00 54.35 2kgo n GLN 90 Cb 0.83 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.66 2kgo n GLN 90 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kgo n LYS 91 N -0.92 2.76 0.11 -1.09 4.76 -0.85 -4.24 118.16 118.70 2kgo n LYS 91 Ca 0.15 0.99 0.13 0.00 -2.87 0.00 0.00 58.31 56.71 2kgo n LYS 91 Cb 0.27 -3.05 0.45 0.00 -1.84 0.00 0.00 35.03 30.86 2kgo n LYS 91 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2kgo n PRO 92 N 7.72 0.22 -1.31 1.97 -0.04 -1.26 -4.92 135.00 137.39 2kgo n PRO 92 Ca 0.21 0.29 -0.11 0.00 -0.04 0.00 0.00 63.50 63.86 2kgo n PRO 92 Cb 0.41 -1.82 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 2kgo n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kgo n ALA 93 N -1.77 -0.16 -2.43 0.55 0.00 -1.26 -4.98 120.51 110.46 2kgo n ALA 93 Ca 0.04 0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.49 2kgo n ALA 93 Cb 0.34 -1.56 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 2kgo n ALA 93 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kgo s TYR 94 N -2.08 1.30 -0.84 0.00 -0.85 -1.26 -5.09 117.35 108.53 2kgo s TYR 94 Ca 0.00 -0.62 0.01 0.00 -0.52 0.00 0.00 57.07 55.94 2kgo s TYR 94 Cb 0.00 -0.68 0.27 0.00 0.38 0.00 0.00 41.96 41.93 2kgo s TYR 94 CO 0.00 0.11 1.04 0.25 -1.52 0.00 0.00 175.55 175.43 2kgo n THR 95 N 0.34 3.61 -3.72 -3.49 -2.24 -1.26 -4.95 114.28 102.56 2kgo n THR 95 Ca -0.14 -5.49 -0.35 0.00 -2.27 0.00 0.00 64.05 55.79 2kgo n THR 95 Cb 0.58 -2.12 -0.08 0.00 -2.10 0.00 0.00 70.33 66.61 2kgo n THR 95 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kgo s GLY 96 N -1.95 2.04 0.07 3.38 0.00 -1.26 -5.08 107.32 104.51 2kgo s GLY 96 Ca 0.35 -0.71 -0.10 0.00 0.00 0.00 0.00 44.72 44.26 2kgo s GLY 96 CO 0.02 0.17 0.22 -2.52 0.00 0.00 0.00 173.10 170.99 2kgo s TYR 97 N 0.44 0.06 -1.06 1.90 1.13 -1.25 -4.28 117.35 114.28 2kgo s TYR 97 Ca 0.08 -0.39 -0.23 0.00 -1.41 0.00 0.00 57.07 55.13 2kgo s TYR 97 Cb -0.11 -0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.73 2kgo s TYR 97 CO -0.01 -0.52 1.79 1.21 -2.51 0.00 0.00 175.55 175.51 2kgo s ASN 98 N -2.54 5.70 -0.95 -0.18 2.47 -1.26 -4.87 114.94 113.31 2kgo s ASN 98 Ca 0.01 -1.37 -0.15 0.00 0.42 0.00 0.00 52.86 51.77 2kgo s ASN 98 Cb 0.02 -2.57 0.20 0.00 -1.45 0.00 0.00 41.25 37.45 2kgo s ASN 98 CO -0.08 -2.29 1.01 -0.60 -3.72 0.00 0.00 177.10 171.42 2kgo s ARG 99 N 5.97 3.76 0.01 0.43 6.06 -1.26 -5.01 118.95 128.92 2kgo s ARG 99 Ca 0.61 -2.40 -0.01 0.00 -2.50 0.00 0.00 55.73 51.44 2kgo s ARG 99 Cb -0.02 -4.67 -0.01 0.00 0.06 0.00 0.00 34.95 30.31 2kgo s ARG 99 CO 0.02 -1.48 -0.01 0.50 -2.50 0.00 0.00 175.30 171.83 2kgo s ARG 100 N 0.83 0.26 0.22 5.12 3.52 -1.26 -5.14 118.95 122.50 2kgo s ARG 100 Ca 0.27 -0.47 -0.31 0.00 -0.13 0.00 0.00 55.73 55.09 2kgo s ARG 100 Cb -0.08 0.10 -0.11 0.00 -1.56 0.00 0.00 34.95 33.30 2kgo s ARG 100 CO -0.08 -0.04 1.58 0.20 -0.81 0.00 0.00 175.30 176.15 2kgo s GLY 101 N -1.16 1.78 -0.98 8.12 0.00 -1.26 -4.89 107.32 108.93 2kgo s GLY 101 Ca -0.13 1.46 -0.23 0.00 0.00 0.00 0.00 44.72 45.82 2kgo s GLY 101 CO -0.01 2.59 1.92 1.44 0.00 0.00 0.00 173.10 179.04 2kgo n SER 102 N 3.20 2.77 -2.59 1.64 7.64 -1.26 -3.40 113.62 121.62 2kgo n SER 102 Ca 0.11 -2.68 -0.17 0.00 1.01 0.00 0.00 58.87 57.14 2kgo n SER 102 Cb 0.38 -1.45 -0.00 0.00 -1.01 0.00 0.00 64.21 62.12 2kgo n SER 102 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kgo n LYS 103 N 7.77 -2.49 -2.53 1.43 4.81 -1.26 -4.89 118.16 121.00 2kgo n LYS 103 Ca 0.47 0.72 -0.43 0.00 -0.87 0.00 0.00 58.31 58.20 2kgo n LYS 103 Cb 0.44 -5.38 -0.00 0.00 0.02 0.00 0.00 35.03 30.11 2kgo n LYS 103 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2kgo n ASP 104 N -1.98 4.85 -0.69 3.14 8.00 -1.22 -4.52 116.55 124.13 2kgo n ASP 104 Ca -0.16 -2.91 0.04 0.00 0.71 0.00 0.00 54.79 52.47 2kgo n ASP 104 Cb 0.62 -1.75 0.20 0.00 -0.02 0.00 0.00 41.12 40.18 2kgo n ASP 104 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2kgo n SER 105 N 8.43 2.15 -4.73 -2.24 2.88 -1.26 -4.91 113.62 113.93 2kgo n SER 105 Ca 0.49 -3.69 -0.40 0.00 -1.33 0.00 0.00 58.87 53.94 2kgo n SER 105 Cb 0.46 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.33 2kgo n SER 105 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2kgo s GLN 106 N -3.16 4.46 0.00 -1.46 -0.21 -1.26 -4.96 119.66 113.07 2kgo s GLN 106 Ca 0.39 0.99 0.24 0.00 0.02 0.00 0.00 55.36 57.00 2kgo s GLN 106 Cb 0.36 -3.40 0.25 0.00 1.00 0.00 0.00 33.01 31.22 2kgo s GLN 106 CO -0.03 0.18 1.27 1.47 -2.12 0.00 0.00 175.29 176.07 2kgo n LEU 107 N 3.26 2.32 0.00 2.90 -0.00 -1.26 -5.28 117.00 118.94 2kgo n LEU 107 Ca -0.02 -0.80 0.00 0.00 -0.00 0.00 0.00 56.01 55.20 2kgo n LEU 107 Cb 0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2kgo n LEU 107 CO 0.47 0.40 0.16 -2.11 -0.00 0.00 0.00 177.39 176.31