#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 2.31 -0.23 3.17 0.00 -1.26 -4.90 121.76 120.86 2kgo s ALA 22 Ca 0.00 -1.93 -0.12 0.00 0.00 0.00 0.00 51.96 49.92 2kgo s ALA 22 Cb 0.00 -4.53 0.08 0.00 0.00 0.00 0.00 23.12 18.67 2kgo s ALA 22 CO 0.00 -4.06 0.54 0.45 0.00 0.00 0.00 175.76 172.69 2kgo s SER 23 N 6.14 -0.71 0.00 0.00 0.15 -1.26 -4.93 113.70 113.09 2kgo s SER 23 Ca 0.55 1.20 0.00 0.00 0.70 0.00 0.00 55.95 58.40 2kgo s SER 23 Cb -0.03 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 2kgo s SER 23 CO -0.05 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2kgo n GLY 24 N 4.51 0.85 0.12 9.45 0.00 -1.26 -4.92 105.19 113.94 2kgo n GLY 24 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2kgo n GLY 24 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2kgo h TRP 25 N 0.00 0.00 0.00 1.61 5.08 -1.94 -3.45 115.95 117.26 2kgo h TRP 25 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2kgo h TRP 25 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2kgo h TRP 25 CO 0.00 0.17 0.00 0.00 -1.28 0.00 0.00 178.44 177.33 2kgo n ALA 26 N -2.22 1.05 -2.30 0.11 0.00 -1.26 -5.06 120.51 110.83 2kgo n ALA 26 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 2kgo n ALA 26 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.05 5.80 0.46 0.00 0.01 -1.26 -4.82 114.94 112.07 2kgo s ASN 27 Ca 0.00 -0.95 0.06 0.00 -0.71 0.00 0.00 52.86 51.26 2kgo s ASN 27 Cb 0.00 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 2kgo s ASN 27 CO 0.00 -2.14 0.27 -0.62 -1.51 0.00 0.00 177.10 173.10 2kgo s ASP 28 N 6.47 4.58 0.24 -1.22 2.15 -1.26 -4.39 116.67 123.24 2kgo s ASP 28 Ca 0.58 -1.10 0.04 0.00 0.43 0.00 0.00 52.55 52.49 2kgo s ASP 28 Cb -0.04 -0.17 0.27 0.00 -0.30 0.00 0.00 42.92 42.67 2kgo s ASP 28 CO -0.03 -0.74 1.57 -2.24 -0.17 0.00 0.00 175.17 173.56 2kgo h ASP 29 N 1.16 0.30 1.02 -0.34 3.04 -1.99 0.03 116.42 119.64 2kgo h ASP 29 Ca -0.41 -0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.22 2kgo h ASP 29 Cb 1.27 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 2kgo h ASP 29 CO 0.64 0.81 0.00 0.00 -2.04 0.00 0.00 179.24 178.65 2kgo n ALA 30 N -2.48 1.94 -0.12 4.15 0.00 -1.26 -3.26 120.51 119.48 2kgo n ALA 30 Ca -0.02 0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2kgo n ALA 30 Cb 0.60 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 2kgo n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kgo n VAL 31 N -2.16 1.41 0.30 0.00 0.31 -0.97 -4.48 118.33 112.73 2kgo n VAL 31 Ca 0.04 -0.53 0.14 0.00 -0.01 0.00 0.00 64.34 63.98 2kgo n VAL 31 Cb 0.31 -1.38 0.41 0.00 -0.91 0.00 0.00 33.84 32.27 2kgo n VAL 31 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kgo h ASN 32 N -0.02 0.00 0.90 4.52 7.08 -1.08 -1.91 115.58 125.07 2kgo h ASN 32 Ca -0.55 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 52.62 2kgo h ASN 32 Cb 1.84 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 38.08 2kgo h ASN 32 CO -0.09 0.00 -0.21 1.05 -2.08 0.00 0.00 177.43 176.09 2kgo h GLU 33 N 0.00 0.00 0.00 4.14 4.11 -1.78 -0.57 114.58 120.48 2kgo h GLU 33 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 2kgo h GLU 33 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2kgo h GLU 33 CO 0.00 0.21 -0.65 1.96 0.07 0.00 0.00 179.01 180.60 2kgo h GLN 34 N 0.00 0.00 0.20 1.06 1.08 -1.57 -3.33 115.11 112.55 2kgo h GLN 34 Ca -0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 2kgo h GLN 34 Cb 0.73 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.19 2kgo h GLN 34 CO 0.03 0.63 -1.18 0.82 -0.95 0.00 0.00 178.83 178.17 2kgo h ILE 35 N 0.00 1.39 -3.87 2.54 2.04 -1.32 -3.47 117.51 114.81 2kgo h ILE 35 Ca -0.01 -2.62 -0.44 0.00 1.00 0.00 0.00 64.86 62.79 2kgo h ILE 35 Cb 1.49 3.11 0.17 0.00 -0.74 0.00 0.00 36.82 40.85 2kgo h ILE 35 CO 0.08 0.77 0.27 0.54 0.00 0.00 0.00 178.15 179.81 2kgo s ASN 36 N -7.32 2.33 -0.14 1.72 2.20 -0.25 -5.00 114.94 108.48 2kgo s ASN 36 Ca -0.11 0.62 0.16 0.00 -0.94 0.00 0.00 52.86 52.58 2kgo s ASN 36 Cb 0.03 -0.89 0.47 0.00 -2.00 0.00 0.00 41.25 38.85 2kgo s ASN 36 CO 0.90 -3.25 1.37 -1.54 -2.94 0.00 0.00 177.10 171.64 2kgo n SER 37 N -4.17 3.60 -0.07 3.54 3.41 -1.26 -4.68 113.62 113.99 2kgo n SER 37 Ca 0.12 -2.84 -0.13 0.00 -0.26 0.00 0.00 58.87 55.76 2kgo n SER 37 Cb 0.59 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 64.01 2kgo n SER 37 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2kgo h THR 38 N 1.69 1.33 -0.08 6.66 2.02 -1.95 -1.57 112.91 121.02 2kgo h THR 38 Ca 0.00 -1.44 -0.18 0.00 0.77 0.00 0.00 66.41 65.56 2kgo h THR 38 Cb 1.28 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 2kgo h THR 38 CO 0.17 0.44 -0.71 0.40 0.37 0.00 0.00 175.52 176.19 2kgo h ILE 39 N 0.19 1.38 0.00 3.11 1.08 -1.83 -2.56 117.51 118.88 2kgo h ILE 39 Ca 0.03 -2.12 -0.16 0.00 -0.39 0.00 0.00 64.86 62.22 2kgo h ILE 39 Cb 0.81 2.09 -0.02 0.00 -3.07 0.00 0.00 36.82 36.63 2kgo h ILE 39 CO 0.06 0.64 -0.94 1.05 -0.69 0.00 0.00 178.15 178.26 2kgo h GLU 40 N 0.27 0.00 -0.75 2.37 4.11 -1.88 -3.27 114.58 115.43 2kgo h GLU 40 Ca -0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 2kgo h GLU 40 Cb 1.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 2kgo h GLU 40 CO 0.12 0.56 0.30 0.22 0.07 0.00 0.00 179.01 180.28 2kgo h ASP 41 N 0.00 1.03 -0.05 3.06 3.58 -1.09 -0.12 116.42 122.81 2kgo h ASP 41 Ca -0.07 -0.15 0.03 0.00 0.42 0.00 0.00 57.03 57.26 2kgo h ASP 41 Cb 1.57 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 42.32 2kgo h ASP 41 CO 0.08 0.91 -0.13 0.00 -2.88 0.00 0.00 179.24 177.21 2kgo h ALA 42 N 1.24 -0.11 -0.41 -0.78 0.00 -1.51 -1.80 119.26 115.89 2kgo h ALA 42 Ca 0.25 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2kgo h ALA 42 Cb 0.20 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2kgo h ALA 42 CO -0.02 -0.61 -0.06 0.82 0.00 0.00 0.00 179.25 179.38 2kgo h ILE 43 N -0.20 1.24 -0.77 0.00 1.08 -1.59 -0.61 117.51 116.67 2kgo h ILE 43 Ca 0.06 -1.03 -0.04 0.00 -0.39 0.00 0.00 64.86 63.47 2kgo h ILE 43 Cb 0.29 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 2kgo h ILE 43 CO -0.17 0.35 0.34 0.00 -0.69 0.00 0.00 178.15 177.98 2kgo h ALA 44 N 1.30 0.99 0.00 1.87 0.00 -0.64 -2.72 119.26 120.05 2kgo h ALA 44 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kgo h ALA 44 Cb 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kgo h ALA 44 CO 0.03 0.58 -1.01 2.89 0.00 0.00 0.00 179.25 181.73 2kgo n ARG 45 N -4.35 0.44 0.03 0.00 -4.01 -0.71 -2.99 116.66 105.08 2kgo n ARG 45 Ca 0.07 0.05 -0.01 0.00 -1.04 0.00 0.00 57.85 56.91 2kgo n ARG 45 Cb 0.16 -1.70 -0.01 0.00 -3.04 0.00 0.00 32.46 27.88 2kgo n ARG 45 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kgo h ALA 46 N 2.29 -0.55 -0.00 2.89 0.00 -0.81 -3.40 119.26 119.68 2kgo h ALA 46 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kgo h ALA 46 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kgo h ALA 46 CO 0.00 -0.54 0.00 2.89 0.00 0.00 0.00 179.25 181.60 2kgo n ARG 47 N -2.41 2.72 -3.18 0.00 -4.01 -1.07 -5.02 116.66 103.68 2kgo n ARG 47 Ca -0.01 -1.69 -0.15 0.00 -1.04 0.00 0.00 57.85 54.97 2kgo n ARG 47 Cb 0.04 -1.09 0.07 0.00 -3.04 0.00 0.00 32.46 28.44 2kgo n ARG 47 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kgo n GLY 48 N -0.64 -0.20 0.22 2.89 0.00 -1.16 -4.98 105.19 101.32 2kgo n GLY 48 Ca 0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.65 -0.46 -6.00 1.61 4.81 -1.69 -3.45 114.58 107.76 2kgo h GLU 49 Ca -0.46 0.03 -0.68 0.00 -0.13 0.00 0.00 59.36 58.12 2kgo h GLU 49 Cb 1.27 0.10 -0.17 0.00 0.63 0.00 0.00 28.75 30.58 2kgo h GLU 49 CO 0.41 -0.24 -0.66 0.42 -0.73 0.00 0.00 179.01 178.21 2kgo s ILE 50 N -3.33 4.01 0.18 2.32 1.01 -1.26 -5.04 121.20 119.09 2kgo s ILE 50 Ca -0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 2kgo s ILE 50 Cb 0.01 -2.67 0.05 0.00 0.01 0.00 0.00 42.46 39.85 2kgo s ILE 50 CO 0.28 0.59 0.12 -0.81 0.00 0.00 0.00 174.94 175.13 2kgo n PRO 51 N 2.29 -1.97 -1.66 2.79 -0.04 -1.26 -4.50 135.00 130.66 2kgo n PRO 51 Ca -0.18 -0.20 -0.31 0.00 -0.04 0.00 0.00 63.50 62.76 2kgo n PRO 51 Cb 0.53 -0.23 -0.04 0.00 -0.04 0.00 0.00 33.50 33.72 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 -2.28 3.22 -0.91 0.54 1.74 -1.26 -4.68 116.66 113.03 2kgo n ARG 52 Ca 0.02 -2.71 0.00 0.00 -0.77 0.00 0.00 57.85 54.39 2kgo n ARG 52 Cb 0.08 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 2kgo n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kgo n GLY 53 N 1.29 -1.80 1.59 -0.13 0.00 -1.26 -5.11 105.19 99.77 2kgo n GLY 53 Ca 0.54 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2kgo n GLY 53 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kgo n GLU 54 N 0.03 -0.07 -2.32 1.61 0.00 -1.26 -4.39 120.64 114.25 2kgo n GLU 54 Ca 0.00 -1.00 -0.43 0.00 0.00 0.00 0.00 57.16 55.74 2kgo n GLU 54 Cb 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 31.44 31.01 2kgo n GLU 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2kgo s SER 55 N -2.82 6.88 0.99 -1.84 1.04 -1.26 -3.96 113.70 112.72 2kgo s SER 55 Ca 0.29 1.85 -0.16 0.00 0.48 0.00 0.00 55.95 58.41 2kgo s SER 55 Cb -0.01 -2.54 0.21 0.00 0.10 0.00 0.00 66.02 63.78 2kgo s SER 55 CO 0.20 -0.79 1.31 -1.48 0.98 0.00 0.00 173.24 173.46 2kgo s LEU 56 N 3.48 2.53 0.00 2.42 0.05 -1.14 -4.89 118.68 121.13 2kgo s LEU 56 Ca 0.60 0.28 0.11 0.00 0.05 0.00 0.00 54.13 55.17 2kgo s LEU 56 Cb -0.25 -2.28 0.07 0.00 -2.05 0.00 0.00 46.19 41.68 2kgo s LEU 56 CO 0.19 -2.89 0.82 -0.90 -0.55 0.00 0.00 176.35 173.02 2kgo n ASP 57 N -3.88 1.79 -3.63 1.48 5.75 -1.26 -4.80 116.55 112.00 2kgo n ASP 57 Ca 0.15 -1.39 -0.16 0.00 -0.01 0.00 0.00 54.79 53.38 2kgo n ASP 57 Cb 0.59 0.12 -0.14 0.00 -1.03 0.00 0.00 41.12 40.66 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 -1.09 0.11 0.05 0.11 2.02 -1.26 -1.86 118.70 116.78 2kgo s GLU 58 Ca 0.12 0.54 -0.37 0.00 0.02 0.00 0.00 54.97 55.29 2kgo s GLU 58 Cb 0.09 -0.41 -0.17 0.00 0.10 0.00 0.00 34.13 33.75 2kgo s GLU 58 CO 0.18 -0.38 1.38 0.00 0.02 0.00 0.00 175.26 176.45 2kgo h GLU 60 N 4.79 0.00 0.02 0.00 4.11 -1.52 -0.19 114.58 121.79 2kgo h GLU 60 Ca -0.48 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.64 2kgo h GLU 60 Cb 1.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.54 2kgo h GLU 60 CO 0.79 0.00 -1.73 0.39 0.07 0.00 0.00 179.01 178.53 2kgo n GLU 61 N -2.66 0.61 -0.05 1.06 -0.58 -1.26 -4.73 120.64 113.02 2kgo n GLU 61 Ca 0.01 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 2kgo n GLU 61 Cb 0.26 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 -0.16 1.62 3.77 0.00 0.00 -0.08 -4.96 105.19 105.37 2kgo n GLY 63 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.43 3.24 -0.19 4.61 0.00 -1.26 -4.47 121.76 121.27 2kgo s ALA 64 Ca 0.00 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 2kgo s ALA 64 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 2kgo s ALA 64 CO 0.00 -0.31 2.06 -1.25 0.00 0.00 0.00 175.76 176.26 2kgo s PRO 65 N -2.02 3.40 0.04 0.00 0.04 -1.26 -1.61 135.00 133.59 2kgo s PRO 65 Ca 0.52 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 2kgo s PRO 65 Cb -0.29 -4.28 -0.08 0.00 0.04 0.00 0.00 34.50 29.89 2kgo s PRO 65 CO 0.37 -1.79 1.68 0.42 0.04 0.00 0.00 177.00 177.71 2kgo s ILE 66 N 7.14 3.18 0.41 0.56 -1.09 -0.78 -4.81 121.20 125.82 2kgo s ILE 66 Ca 0.93 0.51 -0.24 0.00 -2.23 0.00 0.00 60.65 59.62 2kgo s ILE 66 Cb -0.33 -3.33 -0.08 0.00 -1.58 0.00 0.00 42.46 37.14 2kgo s ILE 66 CO 0.36 -0.02 1.11 -2.16 -1.23 0.00 0.00 174.94 173.00 2kgo s PRO 67 N 3.12 4.04 0.63 2.79 0.04 -1.26 -4.87 135.00 139.49 2kgo s PRO 67 Ca 0.75 1.67 0.41 0.00 0.04 0.00 0.00 61.00 63.87 2kgo s PRO 67 Cb -0.38 -2.56 2.11 0.00 0.04 0.00 0.00 34.50 33.70 2kgo s PRO 67 CO 0.32 -0.28 2.26 -0.56 0.04 0.00 0.00 177.00 178.78 2kgo h GLN 68 N 2.45 0.00 -0.21 4.56 -0.00 -1.96 -1.84 115.11 118.11 2kgo h GLN 68 Ca -0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.15 2kgo h GLN 68 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.70 2kgo h GLN 68 CO 0.62 0.01 0.07 0.00 -0.00 0.00 0.00 178.83 179.53 2kgo h ALA 69 N 1.99 0.27 -0.09 0.06 0.00 -2.00 -1.61 119.26 117.89 2kgo h ALA 69 Ca -0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2kgo h ALA 69 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kgo h ALA 69 CO 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 179.25 178.70 2kgo h ARG 70 N 0.17 0.20 0.08 0.00 2.47 -1.74 -2.51 114.38 113.06 2kgo h ARG 70 Ca 0.07 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2kgo h ARG 70 Cb 0.21 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2kgo h ARG 70 CO -0.00 0.60 -0.04 0.00 0.56 0.00 0.00 179.97 181.08 2kgo h ARG 71 N 0.16 -0.11 0.01 0.04 3.08 -1.24 -0.95 114.38 115.38 2kgo h ARG 71 Ca 0.01 0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 2kgo h ARG 71 Cb 0.83 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2kgo h ARG 71 CO 0.06 0.18 -0.92 1.05 -1.07 0.00 0.00 179.97 179.28 2kgo h GLU 72 N -0.40 0.11 -0.33 0.04 -0.00 -1.35 -3.14 114.58 109.52 2kgo h GLU 72 Ca -0.01 -0.14 -0.09 0.00 -0.00 0.00 0.00 59.36 59.11 2kgo h GLU 72 Cb 0.34 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.12 2kgo h GLU 72 CO 0.02 0.95 -0.16 0.00 -0.00 0.00 0.00 179.01 179.81 2kgo h ALA 73 N 1.00 0.46 -3.48 1.06 0.00 -1.52 -3.40 119.26 113.38 2kgo h ALA 73 Ca -0.04 -0.34 -0.65 0.00 0.00 0.00 0.00 54.91 53.88 2kgo h ALA 73 Cb 1.58 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 18.85 2kgo h ALA 73 CO 0.13 0.38 -0.67 0.42 0.00 0.00 0.00 179.25 179.51 2kgo s ILE 74 N -4.60 2.41 -1.07 0.00 1.01 -0.36 -5.05 121.20 113.53 2kgo s ILE 74 Ca -0.13 -2.91 -0.24 0.00 0.00 0.00 0.00 60.65 57.37 2kgo s ILE 74 Cb 0.09 -2.72 -0.11 0.00 0.01 0.00 0.00 42.46 39.74 2kgo s ILE 74 CO 0.81 -0.73 2.01 -2.16 0.00 0.00 0.00 174.94 174.87 2kgo s PRO 75 N 0.20 2.20 0.00 2.79 0.04 -1.21 -1.82 135.00 137.20 2kgo s PRO 75 Ca 0.15 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.48 2kgo s PRO 75 Cb -0.23 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.19 2kgo s PRO 75 CO -0.03 -4.16 0.00 0.41 0.04 0.00 0.00 177.00 173.26 2kgo n GLY 76 N 6.19 1.16 3.77 0.56 0.00 -1.25 -4.65 105.19 110.96 2kgo n GLY 76 Ca 0.43 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.16 3.01 0.00 1.61 0.11 -0.75 -4.80 120.40 118.41 2kgo s VAL 77 Ca 0.00 0.83 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 2kgo s VAL 77 Cb 0.00 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 2kgo s VAL 77 CO 0.00 0.06 0.28 -2.11 -3.33 0.00 0.00 175.10 170.00 2kgo n ARG 78 N -0.10 -0.00 -5.00 1.54 -4.01 -1.26 -2.87 116.66 104.95 2kgo n ARG 78 Ca 0.05 -0.31 -0.29 0.00 -1.04 0.00 0.00 57.85 56.26 2kgo n ARG 78 Cb 0.46 -0.65 -0.17 0.00 -3.04 0.00 0.00 32.46 29.06 2kgo n ARG 78 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2kgo s LEU 79 N -0.08 1.94 0.81 2.89 1.43 -1.26 -1.20 118.68 123.22 2kgo s LEU 79 Ca 0.00 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2kgo s LEU 79 Cb 0.00 -1.20 0.08 0.00 0.03 0.00 0.00 46.19 45.10 2kgo s LEU 79 CO 0.00 0.13 1.10 0.00 0.23 0.00 0.00 176.35 177.81 2kgo h ILE 81 N -1.31 0.46 0.30 0.00 2.10 -1.94 0.38 117.51 117.49 2kgo h ILE 81 Ca -0.44 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.48 2kgo h ILE 81 Cb 1.24 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 2kgo h ILE 81 CO 0.50 0.00 -0.14 0.45 -1.08 0.00 0.00 178.15 177.88 2kgo h HIS 82 N 0.00 -0.37 0.00 2.19 3.86 -1.99 -2.47 115.15 116.37 2kgo h HIS 82 Ca 0.35 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2kgo h HIS 82 Cb 1.56 0.12 0.00 0.00 1.06 0.00 0.00 27.41 30.15 2kgo h HIS 82 CO 0.00 -0.08 0.00 0.00 0.86 0.00 0.00 177.93 178.71 2kgo h GLN 84 N 0.00 0.00 0.00 0.00 -0.00 -0.41 -3.35 115.11 111.35 2kgo h GLN 84 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2kgo h GLN 84 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.98 2kgo h GLN 84 CO 0.00 0.53 -0.05 -0.56 0.00 0.00 0.00 178.83 178.75 2kgo h GLN 85 N -1.00 0.00 -0.22 1.69 3.07 -1.54 0.15 115.11 117.26 2kgo h GLN 85 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.64 2kgo h GLN 85 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 2kgo h GLN 85 CO -0.05 0.05 0.11 1.05 0.09 0.00 0.00 178.83 180.08 2kgo h GLU 86 N 0.00 0.31 -0.06 0.06 4.11 -1.76 -3.17 114.58 114.08 2kgo h GLU 86 Ca -0.00 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.22 2kgo h GLU 86 Cb 0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2kgo h GLU 86 CO 0.01 0.32 -0.67 0.87 0.07 0.00 0.00 179.01 179.60 2kgo h LYS 87 N 0.23 0.27 -0.48 1.06 1.79 -1.18 -2.92 116.57 115.34 2kgo h LYS 87 Ca 0.08 -0.21 0.10 0.00 -2.18 0.00 0.00 60.65 58.43 2kgo h LYS 87 Cb 0.11 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 2kgo h LYS 87 CO -0.01 0.84 0.33 0.22 -1.08 0.00 0.00 179.45 179.75 2kgo h ASP 88 N 0.19 0.21 0.67 0.86 3.58 -1.08 -0.78 116.42 120.06 2kgo h ASP 88 Ca -0.02 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.26 2kgo h ASP 88 Cb 1.21 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 2kgo h ASP 88 CO 0.11 0.13 -0.81 -0.07 -2.88 0.00 0.00 179.24 175.71 2kgo h LEU 89 N 0.23 0.13 0.00 2.28 3.38 -1.48 -3.32 115.31 116.53 2kgo h LEU 89 Ca 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kgo h LEU 89 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kgo h LEU 89 CO -0.04 0.88 -0.49 0.00 0.09 0.00 0.00 178.44 178.88 2kgo n GLN 90 N -3.65 0.12 -1.73 1.13 1.13 -0.36 -4.90 117.38 109.13 2kgo n GLN 90 Ca -0.02 0.04 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 2kgo n GLN 90 Cb 0.77 -1.58 -0.03 0.00 0.11 0.00 0.00 30.24 29.51 2kgo n GLN 90 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kgo s LYS 91 N -3.07 4.03 -0.00 -1.09 1.02 -0.81 -4.88 119.74 114.94 2kgo s LYS 91 Ca 0.09 2.46 0.01 0.00 0.02 0.00 0.00 55.97 58.56 2kgo s LYS 91 Cb 0.16 -4.16 0.05 0.00 -0.52 0.00 0.00 37.83 33.36 2kgo s LYS 91 CO 0.69 -1.07 0.94 -0.35 -0.92 0.00 0.00 175.35 174.64 2kgo n PRO 92 N 7.61 1.15 -0.97 -1.68 -0.04 -1.26 -4.85 135.00 134.96 2kgo n PRO 92 Ca 0.20 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2kgo n PRO 92 Cb 0.42 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.27 0.00 -3.46 0.55 0.00 -1.26 -4.95 120.51 111.12 2kgo n ALA 93 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 2kgo n ALA 93 Cb 0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.64 0.35 -0.06 0.00 -0.85 -1.26 -5.11 117.35 108.77 2kgo s TYR 94 Ca 0.00 -0.81 -0.07 0.00 -0.52 0.00 0.00 57.07 55.67 2kgo s TYR 94 Cb 0.00 0.45 -0.02 0.00 0.38 0.00 0.00 41.96 42.77 2kgo s TYR 94 CO 0.00 -1.28 -0.13 0.25 -1.52 0.00 0.00 175.55 172.87 2kgo n THR 95 N -0.50 0.63 -2.70 -3.49 -2.24 -1.26 -5.01 114.28 99.71 2kgo n THR 95 Ca -0.04 0.32 -0.19 0.00 -2.27 0.00 0.00 64.05 61.87 2kgo n THR 95 Cb 0.61 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 2kgo n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kgo n GLY 96 N 1.76 -0.50 3.57 3.38 0.00 -1.26 -4.86 105.19 107.27 2kgo n GLY 96 Ca -0.05 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2kgo n GLY 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kgo s TYR 97 N -2.95 2.57 -1.29 1.61 6.14 -1.26 -4.91 117.35 117.27 2kgo s TYR 97 Ca 0.13 -1.00 -0.18 0.00 0.64 0.00 0.00 57.07 56.66 2kgo s TYR 97 Cb -0.06 -4.70 0.06 0.00 0.42 0.00 0.00 41.96 37.68 2kgo s TYR 97 CO 0.16 -1.90 1.75 0.54 0.64 0.00 0.00 175.55 176.74 2kgo s ASN 98 N 4.87 6.71 -0.46 4.32 2.20 -1.26 -4.87 114.94 126.44 2kgo s ASN 98 Ca 0.49 -2.38 0.03 0.00 -0.94 0.00 0.00 52.86 50.06 2kgo s ASN 98 Cb 0.01 -2.58 0.12 0.00 -2.00 0.00 0.00 41.25 36.80 2kgo s ASN 98 CO -0.05 -1.31 0.21 -0.13 -2.94 0.00 0.00 177.10 172.88 2kgo s ARG 99 N 4.40 1.89 0.54 3.55 0.52 -1.26 -5.12 118.95 123.47 2kgo s ARG 99 Ca 0.55 -2.29 0.05 0.00 -0.52 0.00 0.00 55.73 53.51 2kgo s ARG 99 Cb 0.04 -3.36 0.05 0.00 0.52 0.00 0.00 34.95 32.20 2kgo s ARG 99 CO 0.08 -1.06 0.75 -0.98 0.02 0.00 0.00 175.30 174.11 2kgo s ARG 100 N 0.26 2.45 -1.12 3.54 1.70 -1.26 -4.99 118.95 119.54 2kgo s ARG 100 Ca 0.14 -1.17 -0.23 0.00 -0.47 0.00 0.00 55.73 54.00 2kgo s ARG 100 Cb -0.23 -2.59 -0.12 0.00 -0.57 0.00 0.00 34.95 31.45 2kgo s ARG 100 CO -0.03 -0.72 1.95 0.41 -1.08 0.00 0.00 175.30 175.83 2kgo n GLY 101 N -2.24 0.95 3.32 3.88 0.00 -1.26 -4.90 105.19 104.94 2kgo n GLY 101 Ca 0.11 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 2kgo n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kgo s SER 102 N 6.61 4.53 0.03 1.61 0.15 -1.26 -5.00 113.70 120.36 2kgo s SER 102 Ca 0.69 -0.46 -0.22 0.00 0.70 0.00 0.00 55.95 56.66 2kgo s SER 102 Cb 0.00 -1.78 -0.16 0.00 -1.71 0.00 0.00 66.02 62.38 2kgo s SER 102 CO 0.15 -0.06 1.35 0.50 1.20 0.00 0.00 173.24 176.38 2kgo h LYS 103 N 8.14 0.23 -6.32 5.44 3.11 -2.07 -3.42 116.57 121.69 2kgo h LYS 103 Ca -0.39 -0.11 -0.57 0.00 -2.81 0.00 0.00 60.65 56.77 2kgo h LYS 103 Cb 1.15 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.35 2kgo h LYS 103 CO 0.60 0.61 1.16 0.34 -2.81 0.00 0.00 179.45 179.35 2kgo s ASP 104 N -5.92 6.23 -0.37 4.20 2.15 -1.26 -4.95 116.67 116.75 2kgo s ASP 104 Ca -0.15 1.40 0.03 0.00 0.43 0.00 0.00 52.55 54.27 2kgo s ASP 104 Cb 0.04 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 40.29 2kgo s ASP 104 CO 0.72 -1.42 0.40 -0.94 -0.17 0.00 0.00 175.17 173.77 2kgo s SER 105 N 4.73 0.86 -0.27 -0.34 1.04 -1.26 -5.12 113.70 113.35 2kgo s SER 105 Ca 0.72 -1.44 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2kgo s SER 105 Cb -0.22 0.73 0.06 0.00 0.10 0.00 0.00 66.02 66.68 2kgo s SER 105 CO 0.31 -0.26 -0.09 -1.10 0.98 0.00 0.00 173.24 173.09 2kgo s GLN 106 N 1.53 2.22 -0.70 4.02 -0.21 -1.26 -5.08 119.66 120.19 2kgo s GLN 106 Ca 0.16 -1.37 -0.27 0.00 0.02 0.00 0.00 55.36 53.90 2kgo s GLN 106 Cb -0.14 -2.95 0.02 0.00 1.00 0.00 0.00 33.01 30.94 2kgo s GLN 106 CO -0.05 -0.60 1.36 -0.48 -2.12 0.00 0.00 175.29 173.40 2kgo s LEU 107 N 1.11 3.22 0.00 2.90 2.34 -1.26 -5.33 118.68 121.66 2kgo s LEU 107 Ca -0.07 -0.25 0.00 0.00 0.06 0.00 0.00 54.13 53.87 2kgo s LEU 107 Cb -0.20 -2.64 0.00 0.00 -0.56 0.00 0.00 46.19 42.79 2kgo s LEU 107 CO -0.05 -1.88 0.00 -2.11 -1.06 0.00 0.00 176.35 171.25