#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgo n ALA 22 N 0.00 4.57 -3.59 -5.12 0.00 -1.26 -4.92 120.51 110.19 2kgo n ALA 22 Ca 0.00 -4.34 -0.11 0.00 0.00 0.00 0.00 53.44 48.99 2kgo n ALA 22 Cb 0.00 -2.94 -0.10 0.00 0.00 0.00 0.00 19.45 16.42 2kgo n ALA 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kgo s SER 23 N 1.65 -0.60 -1.13 0.00 0.15 -1.26 -4.95 113.70 107.56 2kgo s SER 23 Ca 0.40 1.05 -0.02 0.00 0.70 0.00 0.00 55.95 58.08 2kgo s SER 23 Cb 0.02 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2kgo s SER 23 CO 0.00 -0.20 0.23 0.61 1.20 0.00 0.00 173.24 175.09 2kgo n GLY 24 N 3.82 -0.17 0.18 9.45 0.00 -1.12 -4.88 105.19 112.46 2kgo n GLY 24 Ca -0.20 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.07 0.00 -1.67 1.61 4.27 -1.26 -4.83 117.44 111.49 2kgo n TRP 25 Ca -0.12 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.49 2kgo n TRP 25 Cb 0.60 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.56 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 -2.53 1.71 -3.34 -1.67 0.00 -1.26 -4.98 120.51 108.44 2kgo n ALA 26 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 53.44 52.36 2kgo n ALA 26 Cb 0.47 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 2kgo n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kgo s ASN 27 N -0.74 1.27 0.31 0.00 4.22 -1.26 -4.93 114.94 113.81 2kgo s ASN 27 Ca 0.01 -1.90 -0.19 0.00 -2.14 0.00 0.00 52.86 48.64 2kgo s ASN 27 Cb 0.01 0.38 0.04 0.00 1.28 0.00 0.00 41.25 42.95 2kgo s ASN 27 CO 0.00 -0.24 0.77 -0.62 -2.04 0.00 0.00 177.10 174.97 2kgo s ASP 28 N 1.14 -0.15 0.17 3.54 2.15 -1.26 -2.79 116.67 119.46 2kgo s ASP 28 Ca 0.20 -0.81 -0.14 0.00 0.43 0.00 0.00 52.55 52.23 2kgo s ASP 28 Cb -0.13 0.76 0.06 0.00 -0.30 0.00 0.00 42.92 43.30 2kgo s ASP 28 CO -0.04 -1.45 1.81 0.44 -0.17 0.00 0.00 175.17 175.76 2kgo h ASP 29 N 2.00 0.61 -0.20 -0.34 5.19 -2.01 -2.58 116.42 119.10 2kgo h ASP 29 Ca -0.25 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.10 2kgo h ASP 29 Cb 1.25 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 2kgo h ASP 29 CO 0.30 0.48 0.02 0.00 -3.12 0.00 0.00 179.24 176.92 2kgo n ALA 30 N -2.26 3.01 -0.00 3.45 0.00 -1.26 -3.79 120.51 119.66 2kgo n ALA 30 Ca 0.03 -0.66 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 2kgo n ALA 30 Cb 0.05 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 0.18 0.58 0.23 0.00 0.31 -0.99 -4.83 118.33 113.82 2kgo n VAL 31 Ca 0.10 0.08 0.09 0.00 -0.01 0.00 0.00 64.34 64.61 2kgo n VAL 31 Cb 0.59 -1.61 0.55 0.00 -0.91 0.00 0.00 33.84 32.46 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 -0.15 0.00 0.99 4.52 7.08 -1.60 -2.68 115.58 123.74 2kgo h ASN 32 Ca -0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.15 2kgo h ASN 32 Cb 0.78 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.02 2kgo h ASN 32 CO -0.04 0.22 0.00 1.05 -2.08 0.00 0.00 177.43 176.58 2kgo h GLU 33 N 0.00 0.00 0.10 4.14 -0.00 -1.86 -1.35 114.58 115.61 2kgo h GLU 33 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 59.05 2kgo h GLU 33 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.30 2kgo h GLU 33 CO 0.03 0.00 -1.55 1.96 -0.00 0.00 0.00 179.01 179.45 2kgo h GLN 34 N 0.00 0.21 0.19 1.06 4.20 -1.81 -3.41 115.11 115.56 2kgo h GLN 34 Ca 0.00 -0.36 -0.31 0.00 0.06 0.00 0.00 58.65 58.04 2kgo h GLN 34 Cb 0.49 0.13 0.03 0.00 0.30 0.00 0.00 27.48 28.43 2kgo h GLN 34 CO 0.00 1.05 -1.36 0.82 -0.67 0.00 0.00 178.83 178.67 2kgo h ILE 35 N 0.06 1.36 -4.12 2.54 2.04 -1.44 -3.47 117.51 114.47 2kgo h ILE 35 Ca -0.25 -2.79 -0.55 0.00 1.00 0.00 0.00 64.86 62.28 2kgo h ILE 35 Cb 2.00 2.95 0.15 0.00 -0.74 0.00 0.00 36.82 41.18 2kgo h ILE 35 CO 0.15 0.83 0.48 0.54 0.00 0.00 0.00 178.15 180.14 2kgo s ASN 36 N -7.41 4.60 0.00 1.72 2.20 -0.57 -4.93 114.94 110.55 2kgo s ASN 36 Ca -0.07 2.51 0.19 0.00 -0.94 0.00 0.00 52.86 54.55 2kgo s ASN 36 Cb 0.05 -2.61 0.81 0.00 -2.00 0.00 0.00 41.25 37.51 2kgo s ASN 36 CO 0.92 -2.00 1.56 -1.20 -2.94 0.00 0.00 177.10 173.45 2kgo n SER 37 N -2.06 1.13 0.01 3.54 7.64 -1.26 -3.77 113.62 118.85 2kgo n SER 37 Ca 0.15 -1.65 -0.17 0.00 1.01 0.00 0.00 58.87 58.22 2kgo n SER 37 Cb 0.49 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 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 1.48 1.30 -0.15 0.44 2.02 -1.97 -2.51 112.91 113.52 2kgo h THR 38 Ca 0.00 -2.11 -0.00 0.00 0.77 0.00 0.00 66.41 65.07 2kgo h THR 38 Cb 0.32 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2kgo h THR 38 CO 0.00 0.66 0.09 0.40 0.37 0.00 0.00 175.52 177.04 2kgo h ILE 39 N 0.44 1.07 -0.21 3.11 1.08 -1.90 -1.75 117.51 119.35 2kgo h ILE 39 Ca -0.07 -0.16 -0.18 0.00 -0.39 0.00 0.00 64.86 64.05 2kgo h ILE 39 Cb 1.49 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 2kgo h ILE 39 CO 0.17 0.06 -0.56 1.05 -0.69 0.00 0.00 178.15 178.18 2kgo h GLU 40 N 0.17 0.76 0.37 2.37 4.11 -1.78 -3.21 114.58 117.38 2kgo h GLU 40 Ca 0.05 -0.53 -0.02 0.00 0.07 0.00 0.00 59.36 58.94 2kgo h GLU 40 Cb 0.02 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2kgo h GLU 40 CO -0.01 1.15 -0.18 0.22 0.07 0.00 0.00 179.01 180.26 2kgo h ASP 41 N 0.49 -0.42 -0.74 3.06 3.58 -1.39 -0.44 116.42 120.54 2kgo h ASP 41 Ca -0.01 -0.13 0.09 0.00 0.42 0.00 0.00 57.03 57.40 2kgo h ASP 41 Cb 1.18 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.29 2kgo h ASP 41 CO 0.12 -0.08 0.49 0.00 -2.88 0.00 0.00 179.24 176.89 2kgo h ALA 42 N -0.31 1.78 0.01 -0.78 0.00 -1.43 -0.21 119.26 118.33 2kgo h ALA 42 Ca -0.05 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 2kgo h ALA 42 Cb 0.53 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2kgo h ALA 42 CO 0.08 0.07 -1.38 0.82 0.00 0.00 0.00 179.25 178.85 2kgo h ILE 43 N 0.69 1.26 -0.19 0.00 1.08 -1.57 -3.12 117.51 115.66 2kgo h ILE 43 Ca 0.34 -3.03 -0.18 0.00 -0.39 0.00 0.00 64.86 61.60 2kgo h ILE 43 Cb 0.41 2.65 -0.00 0.00 -3.07 0.00 0.00 36.82 36.80 2kgo h ILE 43 CO -0.12 0.74 -0.61 0.00 -0.69 0.00 0.00 178.15 177.47 2kgo h ALA 44 N 0.93 0.56 0.00 1.87 0.00 -0.02 -1.33 119.26 121.28 2kgo h ALA 44 Ca -0.16 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2kgo h ALA 44 Cb 1.91 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2kgo h ALA 44 CO 0.11 0.70 -0.27 2.89 0.00 0.00 0.00 179.25 182.67 2kgo n ARG 45 N -3.95 0.24 -0.06 0.00 1.85 -0.19 -1.87 116.66 112.67 2kgo n ARG 45 Ca -0.04 0.13 -0.05 0.00 -1.00 0.00 0.00 57.85 56.89 2kgo n ARG 45 Cb 0.65 -1.72 -0.03 0.00 -1.05 0.00 0.00 32.46 30.31 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 2.59 0.03 0.00 2.89 0.00 -1.46 -3.45 119.26 119.85 2kgo h ALA 46 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kgo h ALA 46 Cb 0.71 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2kgo h ALA 46 CO 0.00 0.24 0.00 2.89 0.00 0.00 0.00 179.25 182.38 2kgo n ARG 47 N -4.67 0.80 -1.02 0.00 -4.01 -0.53 -5.10 116.66 102.12 2kgo n ARG 47 Ca -0.07 -0.06 0.00 0.00 -1.04 0.00 0.00 57.85 56.68 2kgo n ARG 47 Cb 0.21 -0.38 0.00 0.00 -3.04 0.00 0.00 32.46 29.26 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 0.13 -2.15 0.75 2.89 0.00 -0.78 -5.01 105.19 101.02 2kgo n GLY 48 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 2kgo n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kgo n GLU 49 N 0.39 0.17 -2.47 1.61 4.07 -1.25 -4.85 120.64 118.31 2kgo n GLU 49 Ca 0.00 0.08 -0.42 0.00 -0.06 0.00 0.00 57.16 56.75 2kgo n GLU 49 Cb 0.00 -0.79 -0.03 0.00 -0.06 0.00 0.00 31.44 30.56 2kgo n GLU 49 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2kgo s ILE 50 N -2.16 4.28 0.99 6.31 -1.09 -1.26 -5.00 121.20 123.26 2kgo s ILE 50 Ca -0.11 1.60 -0.14 0.00 -2.23 0.00 0.00 60.65 59.76 2kgo s ILE 50 Cb 0.04 -4.03 0.19 0.00 -1.58 0.00 0.00 42.46 37.08 2kgo s ILE 50 CO 0.14 0.00 1.15 -2.16 -1.23 0.00 0.00 174.94 172.85 2kgo s PRO 51 N 2.18 0.45 -1.45 2.79 0.04 -1.26 -4.94 135.00 132.82 2kgo s PRO 51 Ca 0.56 0.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.61 2kgo s PRO 51 Cb -0.24 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2kgo s PRO 51 CO 0.22 -2.63 2.34 0.54 0.04 0.00 0.00 177.00 177.50 2kgo n ARG 52 N -4.04 2.92 -0.08 4.56 1.74 -1.26 -4.13 116.66 116.37 2kgo n ARG 52 Ca 0.09 -2.48 -0.13 0.00 -0.77 0.00 0.00 57.85 54.56 2kgo n ARG 52 Cb 0.59 -3.18 -0.06 0.00 -1.02 0.00 0.00 32.46 28.79 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 4.03 -0.22 4.01 -0.13 0.00 -1.26 -4.97 105.19 106.64 2kgo n GLY 53 Ca 0.56 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.30 2.64 0.19 1.61 0.41 -1.26 -4.03 118.70 115.97 2kgo s GLU 54 Ca -0.21 -1.29 -0.31 0.00 -0.41 0.00 0.00 54.97 52.75 2kgo s GLU 54 Cb 0.06 -2.69 -0.10 0.00 -1.78 0.00 0.00 34.13 29.62 2kgo s GLU 54 CO 0.32 -0.49 1.55 -1.54 -0.49 0.00 0.00 175.26 174.61 2kgo s SER 55 N -4.45 6.59 0.31 -0.19 1.04 -1.26 -4.17 113.70 111.57 2kgo s SER 55 Ca 0.57 2.65 0.16 0.00 0.48 0.00 0.00 55.95 59.81 2kgo s SER 55 Cb -0.09 -2.60 0.29 0.00 0.10 0.00 0.00 66.02 63.72 2kgo s SER 55 CO 0.35 -0.81 1.55 0.17 0.98 0.00 0.00 173.24 175.48 2kgo h LEU 56 N 6.34 0.00 0.00 2.42 8.10 -1.91 -3.48 115.31 126.78 2kgo h LEU 56 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.56 2kgo h LEU 56 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 2kgo h LEU 56 CO 0.88 0.47 0.00 -0.67 -4.11 0.00 0.00 178.44 175.01 2kgo n ASP 57 N -3.32 0.00 -3.62 0.17 2.03 -1.26 -4.94 116.55 105.60 2kgo n ASP 57 Ca 0.01 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.05 2kgo n ASP 57 Cb 0.66 -0.68 -0.17 0.00 -0.72 0.00 0.00 41.12 40.21 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kgo s GLU 58 N -0.25 0.19 0.10 -0.67 2.02 -1.26 -2.19 118.70 116.64 2kgo s GLU 58 Ca 0.00 -0.22 -0.36 0.00 0.02 0.00 0.00 54.97 54.41 2kgo s GLU 58 Cb 0.00 -1.79 -0.17 0.00 0.10 0.00 0.00 34.13 32.27 2kgo s GLU 58 CO 0.00 -0.72 1.26 0.00 0.02 0.00 0.00 175.26 175.82 2kgo h GLU 60 N 4.08 0.00 0.00 0.00 4.11 -1.56 -0.54 114.58 120.67 2kgo h GLU 60 Ca -0.47 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.91 2kgo h GLU 60 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2kgo h GLU 60 CO 0.74 0.15 -0.34 0.93 0.07 0.00 0.00 179.01 180.57 2kgo h GLU 61 N 0.00 0.00 0.00 1.06 4.39 -1.91 -3.42 114.58 114.70 2kgo h GLU 61 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kgo h GLU 61 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2kgo h GLU 61 CO 0.02 0.62 -0.18 0.00 -1.16 0.00 0.00 179.01 178.31 2kgo n GLY 63 N -0.19 0.67 3.79 0.00 0.00 -0.21 -4.95 105.19 104.31 2kgo n GLY 63 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.25 2.88 -0.17 4.61 0.00 -1.26 -4.45 121.76 121.12 2kgo s ALA 64 Ca 0.00 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.33 2kgo s ALA 64 Cb 0.00 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 2kgo s ALA 64 CO 0.00 -0.39 2.12 -0.35 0.00 0.00 0.00 175.76 177.14 2kgo n PRO 65 N -0.84 2.03 -2.20 0.00 -0.04 -1.26 -1.63 135.00 131.06 2kgo n PRO 65 Ca 0.09 0.64 -0.43 0.00 -0.04 0.00 0.00 63.50 63.76 2kgo n PRO 65 Cb 0.51 -2.97 -0.02 0.00 -0.04 0.00 0.00 33.50 30.98 2kgo n PRO 65 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kgo s ILE 66 N 6.75 3.78 0.54 0.52 -1.09 -0.93 -4.81 121.20 125.96 2kgo s ILE 66 Ca 0.99 0.84 -0.19 0.00 -2.23 0.00 0.00 60.65 60.06 2kgo s ILE 66 Cb -0.50 -3.89 -0.06 0.00 -1.58 0.00 0.00 42.46 36.43 2kgo s ILE 66 CO 0.41 -0.46 1.10 -2.16 -1.23 0.00 0.00 174.94 172.61 2kgo s PRO 67 N 4.84 3.44 0.66 2.79 0.04 -1.26 -4.80 135.00 140.71 2kgo s PRO 67 Ca 0.68 1.52 0.44 0.00 0.04 0.00 0.00 61.00 63.68 2kgo s PRO 67 Cb -0.20 -2.03 2.38 0.00 0.04 0.00 0.00 34.50 34.69 2kgo s PRO 67 CO 0.30 -0.76 2.34 -0.56 0.04 0.00 0.00 177.00 178.36 2kgo h GLN 68 N 1.21 0.00 -0.28 4.56 -0.00 -1.98 -1.16 115.11 117.46 2kgo h GLN 68 Ca -0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.10 2kgo h GLN 68 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.72 2kgo h GLN 68 CO 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 178.83 179.36 2kgo h ALA 69 N 1.98 0.39 -0.03 0.06 0.00 -1.99 -0.93 119.26 118.74 2kgo h ALA 69 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 2kgo h ALA 69 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2kgo h ALA 69 CO 0.00 0.17 -0.73 0.00 0.00 0.00 0.00 179.25 178.69 2kgo h ARG 70 N 0.29 0.19 -0.39 0.00 2.47 -1.61 -2.00 114.38 113.33 2kgo h ARG 70 Ca 0.07 -0.16 -0.07 0.00 -1.26 0.00 0.00 59.98 58.56 2kgo h ARG 70 Cb 0.50 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 2kgo h ARG 70 CO 0.02 0.84 -0.06 0.00 0.56 0.00 0.00 179.97 181.33 2kgo h ARG 71 N 0.12 0.66 0.17 0.04 3.08 -1.28 -1.35 114.38 115.82 2kgo h ARG 71 Ca -0.02 -0.18 -0.35 0.00 0.07 0.00 0.00 59.98 59.50 2kgo h ARG 71 Cb 1.29 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2kgo h ARG 71 CO 0.11 0.72 -1.77 1.05 -1.07 0.00 0.00 179.97 179.01 2kgo h GLU 72 N 0.61 0.36 -0.34 0.04 4.11 -1.17 -3.38 114.58 114.82 2kgo h GLU 72 Ca 0.12 -0.62 -0.14 0.00 0.07 0.00 0.00 59.36 58.78 2kgo h GLU 72 Cb 0.47 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2kgo h GLU 72 CO 0.02 1.28 -0.34 0.00 0.07 0.00 0.00 179.01 180.05 2kgo h ALA 73 N 0.15 0.50 -3.45 1.06 0.00 -1.38 -3.39 119.26 112.76 2kgo h ALA 73 Ca -0.35 -0.43 -0.67 0.00 0.00 0.00 0.00 54.91 53.46 2kgo h ALA 73 Cb 2.09 -0.11 -0.38 0.00 0.00 0.00 0.00 17.79 19.39 2kgo h ALA 73 CO 0.16 0.56 -0.64 0.42 0.00 0.00 0.00 179.25 179.75 2kgo s ILE 74 N -4.38 2.72 -0.26 0.00 1.01 -0.51 -5.08 121.20 114.71 2kgo s ILE 74 Ca -0.12 -2.24 -0.28 0.00 0.00 0.00 0.00 60.65 58.01 2kgo s ILE 74 Cb 0.10 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 2kgo s ILE 74 CO 0.86 -0.64 1.90 -2.16 0.00 0.00 0.00 174.94 174.90 2kgo s PRO 75 N 0.99 3.40 0.00 2.79 0.04 -1.26 -2.14 135.00 138.81 2kgo s PRO 75 Ca 0.10 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2kgo s PRO 75 Cb -0.21 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2kgo s PRO 75 CO -0.06 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.60 2kgo n GLY 76 N 5.35 0.97 3.77 0.56 0.00 -1.26 -4.90 105.19 109.69 2kgo n GLY 76 Ca 0.24 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.58 3.11 0.00 1.61 0.11 -0.91 -4.83 120.40 116.91 2kgo s VAL 77 Ca 0.00 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 59.82 2kgo s VAL 77 Cb 0.00 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 2kgo s VAL 77 CO 0.00 -0.07 0.17 -2.11 -3.33 0.00 0.00 175.10 169.76 2kgo n ARG 78 N -0.85 -0.06 -4.82 1.54 -4.01 -1.26 -3.34 116.66 103.87 2kgo n ARG 78 Ca 0.09 -0.17 -0.32 0.00 -1.04 0.00 0.00 57.85 56.41 2kgo n ARG 78 Cb 0.49 -0.64 -0.17 0.00 -3.04 0.00 0.00 32.46 29.11 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 2.09 0.68 2.89 1.43 -1.26 -1.29 118.68 123.13 2kgo s LEU 79 Ca 0.00 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 2kgo s LEU 79 Cb 0.00 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.82 2kgo s LEU 79 CO 0.00 0.10 1.14 0.00 0.23 0.00 0.00 176.35 177.82 2kgo h ILE 81 N -0.06 0.36 0.01 0.00 2.10 -1.96 0.21 117.51 118.16 2kgo h ILE 81 Ca -0.47 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.45 2kgo h ILE 81 Cb 1.26 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 2kgo h ILE 81 CO 0.53 0.00 -0.09 0.45 -1.08 0.00 0.00 178.15 177.96 2kgo h HIS 82 N 0.00 0.06 0.00 2.19 3.86 -1.99 -1.39 115.15 117.89 2kgo h HIS 82 Ca 0.23 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2kgo h HIS 82 Cb 1.25 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2kgo h HIS 82 CO 0.00 1.00 0.00 0.00 0.86 0.00 0.00 177.93 179.79 2kgo h GLN 84 N 0.00 0.00 -0.25 0.00 -0.00 -0.72 -3.27 115.11 110.87 2kgo h GLN 84 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2kgo h GLN 84 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.03 2kgo h GLN 84 CO 0.00 0.78 0.15 -0.56 0.00 0.00 0.00 178.83 179.20 2kgo h GLN 85 N -1.00 0.33 -0.26 1.69 3.07 -1.31 0.80 115.11 118.44 2kgo h GLN 85 Ca -0.05 -0.02 -0.09 0.00 0.09 0.00 0.00 58.65 58.58 2kgo h GLN 85 Cb 0.84 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.32 2kgo h GLN 85 CO -0.03 0.23 -0.18 1.05 0.09 0.00 0.00 178.83 179.99 2kgo h GLU 86 N 0.34 0.58 0.00 0.06 4.11 -1.74 -3.23 114.58 114.70 2kgo h GLU 86 Ca 0.09 -0.28 -0.06 0.00 0.07 0.00 0.00 59.36 59.18 2kgo h GLU 86 Cb -0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2kgo h GLU 86 CO -0.02 0.86 -0.31 0.87 0.07 0.00 0.00 179.01 180.48 2kgo h LYS 87 N 0.30 0.00 0.00 1.06 1.79 -1.21 -2.70 116.57 115.81 2kgo h LYS 87 Ca 0.05 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2kgo h LYS 87 Cb 0.72 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2kgo h LYS 87 CO 0.05 0.31 -0.15 0.22 -1.08 0.00 0.00 179.45 178.80 2kgo h ASP 88 N 0.00 0.00 1.48 0.86 3.58 -0.93 -2.54 116.42 118.87 2kgo h ASP 88 Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2kgo h ASP 88 Cb 0.82 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.87 2kgo h ASP 88 CO 0.04 0.15 -0.52 -0.07 -2.88 0.00 0.00 179.24 175.96 2kgo h LEU 89 N 0.00 0.00 -0.05 2.28 3.38 -1.54 -3.32 115.31 116.06 2kgo h LEU 89 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kgo h LEU 89 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2kgo h LEU 89 CO 0.02 0.02 -0.13 0.00 0.09 0.00 0.00 178.44 178.44 2kgo n GLN 90 N -2.90 0.19 -2.85 1.13 1.13 -0.96 -4.79 117.38 108.33 2kgo n GLN 90 Ca 0.02 -0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.61 2kgo n GLN 90 Cb 0.55 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.36 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 -2.85 4.08 -0.15 -1.09 1.02 -1.24 -4.95 119.74 114.57 2kgo s LYS 91 Ca 0.18 0.86 0.02 0.00 0.02 0.00 0.00 55.97 57.05 2kgo s LYS 91 Cb 0.19 -3.70 0.26 0.00 -0.52 0.00 0.00 37.83 34.06 2kgo s LYS 91 CO 0.55 -0.66 1.27 -0.35 -0.92 0.00 0.00 175.35 175.23 2kgo n PRO 92 N 6.27 1.64 0.00 -1.68 -0.04 -1.26 -4.92 135.00 135.01 2kgo n PRO 92 Ca 0.06 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 2kgo n PRO 92 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.04 0.00 -2.27 0.55 0.00 -1.26 -4.87 120.51 112.62 2kgo n ALA 93 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.24 2kgo n ALA 93 Cb 0.87 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.26 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 0.00 3.79 -0.10 0.00 1.13 -1.26 -5.07 117.35 115.84 2kgo s TYR 94 Ca 0.00 1.45 -0.00 0.00 -1.41 0.00 0.00 57.07 57.10 2kgo s TYR 94 Cb 0.00 -2.72 0.02 0.00 -1.10 0.00 0.00 41.96 38.16 2kgo s TYR 94 CO 0.00 0.41 -0.07 0.95 -2.51 0.00 0.00 175.55 174.33 2kgo s THR 95 N -0.57 0.91 -1.51 -3.49 -4.23 -1.26 -5.05 115.64 100.43 2kgo s THR 95 Ca 0.35 -0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 2kgo s THR 95 Cb -0.21 -0.94 -0.00 0.00 1.34 0.00 0.00 72.50 72.69 2kgo s THR 95 CO 0.22 0.34 2.51 0.61 -0.54 0.00 0.00 174.62 177.77 2kgo n GLY 96 N 4.87 4.41 3.56 3.99 0.00 -1.26 -4.81 105.19 115.95 2kgo n GLY 96 Ca -0.13 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 2kgo n GLY 96 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kgo s TYR 97 N 2.41 -0.13 -0.33 1.61 1.13 -1.26 -5.13 117.35 115.65 2kgo s TYR 97 Ca 0.56 -0.21 -0.29 0.00 -1.41 0.00 0.00 57.07 55.72 2kgo s TYR 97 Cb 0.16 0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 41.44 2kgo s TYR 97 CO -0.07 -0.95 1.56 1.21 -2.51 0.00 0.00 175.55 174.78 2kgo s ASN 98 N -2.88 6.26 0.38 -0.18 3.84 -1.26 -5.01 114.94 116.09 2kgo s ASN 98 Ca 0.09 1.20 0.08 0.00 0.21 0.00 0.00 52.86 54.44 2kgo s ASN 98 Cb -0.02 -2.53 -0.02 0.00 -0.55 0.00 0.00 41.25 38.13 2kgo s ASN 98 CO -0.02 -1.43 0.34 -0.13 -2.79 0.00 0.00 177.10 173.08 2kgo s ARG 99 N 4.98 2.61 -1.67 0.43 0.52 -1.26 -4.69 118.95 119.87 2kgo s ARG 99 Ca 0.68 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 2kgo s ARG 99 Cb -0.19 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 32.86 2kgo s ARG 99 CO 0.31 -0.07 0.00 0.54 0.02 0.00 0.00 175.30 176.10 2kgo n ARG 100 N -1.47 -1.47 -0.15 3.54 5.12 -1.26 -4.91 116.66 116.06 2kgo n ARG 100 Ca 0.01 0.95 -0.10 0.00 -1.93 0.00 0.00 57.85 56.79 2kgo n ARG 100 Cb 0.61 -5.45 -0.01 0.00 -1.16 0.00 0.00 32.46 26.45 2kgo n ARG 100 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2kgo h GLY 101 N 0.00 0.74 -7.35 -0.13 0.00 -2.02 -3.30 103.07 91.02 2kgo h GLY 101 Ca -0.44 -0.48 -0.54 0.00 0.00 0.00 0.00 47.33 45.87 2kgo h GLY 101 CO 0.53 0.45 1.13 -1.35 0.00 0.00 0.00 176.54 177.30 2kgo s SER 102 N -6.07 6.08 0.17 0.19 1.04 -1.26 -4.99 113.70 108.85 2kgo s SER 102 Ca -0.13 -0.46 -0.32 0.00 0.48 0.00 0.00 55.95 55.53 2kgo s SER 102 Cb 0.10 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.56 2kgo s SER 102 CO 0.78 -1.88 1.70 -0.75 0.98 0.00 0.00 173.24 174.07 2kgo s LYS 103 N 5.83 4.15 -0.82 4.02 2.20 -1.24 -4.91 119.74 128.97 2kgo s LYS 103 Ca 0.40 2.53 -0.25 0.00 -0.36 0.00 0.00 55.97 58.29 2kgo s LYS 103 Cb -0.08 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 33.00 2kgo s LYS 103 CO 0.13 -0.74 1.66 0.34 -0.36 0.00 0.00 175.35 176.39 2kgo s ASP 104 N 1.58 5.72 0.00 1.43 2.15 -1.26 -4.71 116.67 121.58 2kgo s ASP 104 Ca 0.75 -0.55 0.12 0.00 0.43 0.00 0.00 52.55 53.29 2kgo s ASP 104 Cb -0.47 -2.55 0.24 0.00 -0.30 0.00 0.00 42.92 39.84 2kgo s ASP 104 CO 0.33 -2.16 1.13 -0.24 -0.17 0.00 0.00 175.17 174.06 2kgo n SER 105 N 11.45 2.63 -4.47 -0.34 2.88 -1.26 -5.04 113.62 119.47 2kgo n SER 105 Ca 0.25 -1.82 -0.29 0.00 -1.33 0.00 0.00 58.87 55.68 2kgo n SER 105 Cb 0.50 -0.16 0.16 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.00 0.69 -0.64 -1.46 1.11 -1.26 -5.04 119.66 112.06 2kgo s GLN 106 Ca 0.21 0.04 0.06 0.00 0.01 0.00 0.00 55.36 55.67 2kgo s GLN 106 Cb 0.12 -1.81 0.23 0.00 -1.01 0.00 0.00 33.01 30.54 2kgo s GLN 106 CO 0.16 -2.45 0.66 1.47 0.01 0.00 0.00 175.29 175.14 2kgo n LEU 107 N -3.89 3.32 0.00 2.90 -0.00 -1.26 -5.28 117.00 112.79 2kgo n LEU 107 Ca 0.10 -5.33 0.00 0.00 -0.00 0.00 0.00 56.01 50.78 2kgo n LEU 107 Cb 0.59 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 2kgo n LEU 107 CO 0.52 1.98 0.00 -2.11 -0.00 0.00 0.00 177.39 177.78