#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 2.65 -0.10 3.04 0.00 -1.26 -4.94 121.76 121.15 2kgo s ALA 22 Ca 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.06 2kgo s ALA 22 Cb 0.00 -4.43 0.05 0.00 0.00 0.00 0.00 23.12 18.74 2kgo s ALA 22 CO 0.00 -3.58 0.22 -1.12 0.00 0.00 0.00 175.76 171.27 2kgo s SER 23 N 4.84 -0.01 -1.25 0.00 0.01 -1.26 -4.89 113.70 111.14 2kgo s SER 23 Ca 0.44 0.47 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2kgo s SER 23 Cb -0.04 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2kgo s SER 23 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2kgo n GLY 24 N 4.55 0.03 0.12 3.44 0.00 -1.26 -4.90 105.19 107.17 2kgo n GLY 24 Ca -0.20 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.90 -3.46 115.95 117.28 2kgo h TRP 25 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.64 2kgo h TRP 25 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 2kgo h TRP 25 CO 0.38 0.52 0.00 0.00 -1.28 0.00 0.00 178.44 178.06 2kgo n ALA 26 N -2.30 0.00 -1.92 0.11 0.00 -1.26 -5.07 120.51 110.06 2kgo n ALA 26 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 2kgo n ALA 26 Cb 0.78 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.92 4.58 0.13 0.00 4.22 -1.26 -4.72 114.94 116.98 2kgo s ASN 27 Ca 0.00 -1.23 -0.25 0.00 -2.14 0.00 0.00 52.86 49.23 2kgo s ASN 27 Cb 0.00 -2.58 0.07 0.00 1.28 0.00 0.00 41.25 40.01 2kgo s ASN 27 CO 0.00 -3.49 0.90 -0.62 -2.04 0.00 0.00 177.10 171.84 2kgo s ASP 28 N 7.51 -0.25 0.07 3.54 2.15 -1.26 -4.32 116.67 124.11 2kgo s ASP 28 Ca 0.73 -0.31 0.01 0.00 0.43 0.00 0.00 52.55 53.41 2kgo s ASP 28 Cb -0.03 0.50 -0.26 0.00 -0.30 0.00 0.00 42.92 42.83 2kgo s ASP 28 CO 0.12 -0.89 1.11 -0.78 -0.17 0.00 0.00 175.17 174.55 2kgo h ASP 29 N 2.00 0.25 0.92 -0.34 3.58 -1.99 -2.85 116.42 117.99 2kgo h ASP 29 Ca -0.24 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2kgo h ASP 29 Cb 1.24 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2kgo h ASP 29 CO 0.27 1.23 0.00 0.00 -2.88 0.00 0.00 179.24 177.86 2kgo h ALA 30 N 0.73 1.00 0.04 -0.78 0.00 -1.95 -1.17 119.26 117.13 2kgo h ALA 30 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.46 2kgo h ALA 30 Cb 1.92 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 2kgo h ALA 30 CO 0.16 0.00 -1.91 0.28 0.00 0.00 0.00 179.25 177.78 2kgo n VAL 31 N -2.44 1.63 -0.16 0.00 0.31 -1.22 -4.20 118.33 112.25 2kgo n VAL 31 Ca 0.02 -0.75 -0.10 0.00 -0.01 0.00 0.00 64.34 63.51 2kgo n VAL 31 Cb 0.28 -1.20 -0.00 0.00 -0.91 0.00 0.00 33.84 32.01 2kgo n VAL 31 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2kgo h ASN 32 N 0.02 0.78 0.55 4.52 -1.24 -1.17 -2.92 115.58 116.11 2kgo h ASN 32 Ca -0.37 -0.29 0.00 0.00 0.71 0.00 0.00 56.30 56.35 2kgo h ASN 32 Cb 2.04 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.88 2kgo h ASN 32 CO 0.07 0.87 0.00 1.05 -1.29 0.00 0.00 177.43 178.13 2kgo h GLU 33 N 0.66 0.00 0.00 6.67 4.11 -1.42 -1.82 114.58 122.77 2kgo h GLU 33 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2kgo h GLU 33 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2kgo h GLU 33 CO 0.02 0.00 0.00 1.96 0.07 0.00 0.00 179.01 181.06 2kgo h GLN 34 N 0.00 0.00 -0.18 1.06 4.20 -1.68 -2.56 115.11 115.95 2kgo h GLN 34 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 2kgo h GLN 34 Cb 0.27 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.06 2kgo h GLN 34 CO 0.00 0.00 -0.73 0.82 -0.67 0.00 0.00 178.83 178.25 2kgo h ILE 35 N 0.00 1.28 -4.10 2.54 2.04 -1.46 -3.45 117.51 114.36 2kgo h ILE 35 Ca 0.00 -1.93 -0.45 0.00 1.00 0.00 0.00 64.86 63.48 2kgo h ILE 35 Cb 0.56 1.91 0.14 0.00 -0.74 0.00 0.00 36.82 38.70 2kgo h ILE 35 CO 0.00 0.61 0.29 0.21 0.00 0.00 0.00 178.15 179.27 2kgo s ASN 36 N -7.08 3.06 -0.51 1.72 2.47 -0.97 -4.21 114.94 109.42 2kgo s ASN 36 Ca -0.10 0.82 0.00 0.00 0.42 0.00 0.00 52.86 54.00 2kgo s ASN 36 Cb 0.09 -1.27 0.00 0.00 -1.45 0.00 0.00 41.25 38.62 2kgo s ASN 36 CO 0.90 -2.82 0.00 -1.20 -3.72 0.00 0.00 177.10 170.26 2kgo n SER 37 N -3.92 -4.40 -0.01 -4.21 7.64 -1.26 -4.87 113.62 102.59 2kgo n SER 37 Ca 0.09 0.12 -0.22 0.00 1.01 0.00 0.00 58.87 59.87 2kgo n SER 37 Cb 0.59 -2.32 -0.14 0.00 -1.01 0.00 0.00 64.21 61.33 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 0.81 -0.15 0.44 2.02 -1.87 -3.12 112.91 111.05 2kgo h THR 38 Ca -0.10 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 64.73 2kgo h THR 38 Cb 0.59 2.53 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 2kgo h THR 38 CO 0.14 0.74 0.04 0.40 0.37 0.00 0.00 175.52 177.21 2kgo h ILE 39 N -0.23 1.20 0.00 3.11 5.03 -1.89 -2.21 117.51 122.53 2kgo h ILE 39 Ca -0.37 -0.63 -0.16 0.00 -0.12 0.00 0.00 64.86 63.58 2kgo h ILE 39 Cb 1.83 1.34 -0.02 0.00 -3.03 0.00 0.00 36.82 36.94 2kgo h ILE 39 CO 0.03 0.19 -0.74 1.05 -0.68 0.00 0.00 178.15 178.00 2kgo h GLU 40 N 0.04 0.00 -0.46 2.37 4.11 -1.98 -3.05 114.58 115.61 2kgo h GLU 40 Ca 0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.43 2kgo h GLU 40 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2kgo h GLU 40 CO 0.00 0.74 0.10 0.22 0.07 0.00 0.00 179.01 180.15 2kgo h ASP 41 N 0.00 0.71 -0.60 3.06 3.58 -1.47 -0.28 116.42 121.42 2kgo h ASP 41 Ca -0.01 -0.24 0.02 0.00 0.42 0.00 0.00 57.03 57.22 2kgo h ASP 41 Cb 1.34 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.17 2kgo h ASP 41 CO 0.10 0.77 0.40 0.00 -2.88 0.00 0.00 179.24 177.62 2kgo h ALA 42 N 0.97 1.61 0.00 -0.78 0.00 -1.29 0.84 119.26 120.61 2kgo h ALA 42 Ca 0.14 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 2kgo h ALA 42 Cb 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2kgo h ALA 42 CO 0.00 0.35 -1.17 0.82 0.00 0.00 0.00 179.25 179.25 2kgo h ILE 43 N 0.78 1.44 0.00 0.00 1.08 -1.47 -2.86 117.51 116.48 2kgo h ILE 43 Ca 0.23 -3.17 -0.11 0.00 -0.39 0.00 0.00 64.86 61.42 2kgo h ILE 43 Cb -0.03 2.71 -0.02 0.00 -3.07 0.00 0.00 36.82 36.41 2kgo h ILE 43 CO -0.05 0.82 -0.51 0.00 -0.69 0.00 0.00 178.15 177.72 2kgo h ALA 44 N 1.03 0.79 0.00 1.87 0.00 -0.27 -1.87 119.26 120.81 2kgo h ALA 44 Ca -0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 2kgo h ALA 44 Cb 1.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2kgo h ALA 44 CO 0.11 0.63 -1.00 0.07 0.00 0.00 0.00 179.25 179.07 2kgo h ARG 45 N 0.00 0.00 0.04 0.00 0.11 -0.95 -2.39 114.38 111.19 2kgo h ARG 45 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2kgo h ARG 45 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2kgo h ARG 45 CO 0.07 0.07 -0.02 0.00 0.10 0.00 0.00 179.97 180.18 2kgo h ALA 46 N 1.88 -0.06 0.00 0.08 0.00 -1.40 -3.44 119.26 116.32 2kgo h ALA 46 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kgo h ALA 46 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2kgo h ALA 46 CO 0.01 -0.15 0.00 2.89 0.00 0.00 0.00 179.25 182.00 2kgo n ARG 47 N -4.77 0.00 -2.60 0.00 -4.01 -0.73 -5.07 116.66 99.48 2kgo n ARG 47 Ca -0.08 -0.03 -0.07 0.00 -1.04 0.00 0.00 57.85 56.63 2kgo n ARG 47 Cb 0.33 -0.33 0.04 0.00 -3.04 0.00 0.00 32.46 29.45 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 0.00 0.12 0.05 2.89 0.00 -0.90 -4.98 105.19 102.37 2kgo n GLY 48 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.80 -0.01 -6.63 1.61 4.81 -1.79 -3.42 114.58 108.36 2kgo h GLU 49 Ca -0.24 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.46 2kgo h GLU 49 Cb 1.14 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.56 2kgo h GLU 49 CO 0.21 0.18 0.75 0.42 -0.73 0.00 0.00 179.01 179.84 2kgo s ILE 50 N -5.46 2.98 0.07 2.32 -1.09 -1.26 -5.04 121.20 113.72 2kgo s ILE 50 Ca -0.14 0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 59.02 2kgo s ILE 50 Cb 0.04 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 37.46 2kgo s ILE 50 CO 0.66 0.08 0.06 -0.81 -1.23 0.00 0.00 174.94 173.71 2kgo n PRO 51 N 3.30 -1.31 0.00 2.79 -0.04 -1.26 -4.88 135.00 133.60 2kgo n PRO 51 Ca 0.10 -0.10 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2kgo n PRO 51 Cb 0.41 -0.10 0.25 0.00 -0.04 0.00 0.00 33.50 34.02 2kgo n PRO 51 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2kgo n ARG 52 N -1.79 0.19 -0.42 0.54 1.85 -1.26 -4.77 116.66 111.00 2kgo n ARG 52 Ca 0.01 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 2kgo n ARG 52 Cb 0.03 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 2kgo n ARG 52 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kgo n GLY 53 N -0.48 1.55 1.88 2.89 0.00 -1.26 -5.12 105.19 104.65 2kgo n GLY 53 Ca 0.05 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.84 0.25 -2.48 1.61 0.28 -1.26 -4.54 120.64 113.66 2kgo n GLU 54 Ca 0.00 -1.31 -0.39 0.00 -0.16 0.00 0.00 57.16 55.30 2kgo n GLU 54 Cb 0.10 -0.33 -0.04 0.00 1.43 0.00 0.00 31.44 32.60 2kgo n GLU 54 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2kgo s SER 55 N -2.97 7.12 0.54 -1.84 1.04 -1.26 -4.43 113.70 111.90 2kgo s SER 55 Ca 0.32 2.22 0.05 0.00 0.48 0.00 0.00 55.95 59.02 2kgo s SER 55 Cb -0.02 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.54 2kgo s SER 55 CO 0.21 -0.24 0.74 -1.48 0.98 0.00 0.00 173.24 173.45 2kgo s LEU 56 N -1.75 3.32 0.00 2.42 0.05 -1.14 -4.92 118.68 116.65 2kgo s LEU 56 Ca 0.48 -0.39 0.09 0.00 0.05 0.00 0.00 54.13 54.36 2kgo s LEU 56 Cb -0.30 -2.38 0.12 0.00 -2.05 0.00 0.00 46.19 41.58 2kgo s LEU 56 CO 0.38 -1.17 0.90 -0.90 -0.55 0.00 0.00 176.35 175.01 2kgo n ASP 57 N -2.23 2.02 -3.65 1.48 5.75 -1.26 -4.79 116.55 113.87 2kgo n ASP 57 Ca 0.11 -1.54 -0.27 0.00 -0.01 0.00 0.00 54.79 53.08 2kgo n ASP 57 Cb 0.60 -0.05 -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 -0.84 0.28 -0.17 0.11 2.02 -1.26 -1.75 118.70 117.09 2kgo s GLU 58 Ca 0.13 -0.23 -0.39 0.00 0.02 0.00 0.00 54.97 54.50 2kgo s GLU 58 Cb 0.08 -1.91 -0.16 0.00 0.10 0.00 0.00 34.13 32.24 2kgo s GLU 58 CO 0.12 -0.68 1.62 0.00 0.02 0.00 0.00 175.26 176.34 2kgo n GLU 60 N 4.47 0.14 -0.02 0.00 0.28 -0.77 -0.82 120.64 123.92 2kgo n GLU 60 Ca 0.24 0.51 -0.01 0.00 -0.16 0.00 0.00 57.16 57.74 2kgo n GLU 60 Cb 0.14 -1.85 -0.00 0.00 1.43 0.00 0.00 31.44 31.16 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 -2.12 0.12 -0.21 3.44 -0.58 -1.26 -4.77 120.64 115.26 2kgo n GLU 61 Ca 0.01 0.26 0.06 0.00 -0.42 0.00 0.00 57.16 57.07 2kgo n GLU 61 Cb 0.12 -0.94 0.16 0.00 -0.57 0.00 0.00 31.44 30.21 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 -0.29 1.38 3.78 0.00 0.00 -0.00 -4.96 105.19 105.10 2kgo n GLY 63 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.21 2.98 -0.24 4.61 0.00 -1.26 -4.46 121.76 121.19 2kgo s ALA 64 Ca 0.00 0.80 -0.28 0.00 0.00 0.00 0.00 51.96 52.48 2kgo s ALA 64 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 2kgo s ALA 64 CO 0.00 -0.46 2.14 -1.25 0.00 0.00 0.00 175.76 176.18 2kgo s PRO 65 N -2.73 3.17 -0.19 0.00 0.04 -1.26 -1.64 135.00 132.40 2kgo s PRO 65 Ca 0.63 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 2kgo s PRO 65 Cb -0.24 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 29.92 2kgo s PRO 65 CO 0.30 -2.06 1.79 0.42 0.04 0.00 0.00 177.00 177.49 2kgo s ILE 66 N 8.03 3.46 0.46 0.56 -1.09 -0.72 -4.81 121.20 127.08 2kgo s ILE 66 Ca 0.96 0.51 -0.23 0.00 -2.23 0.00 0.00 60.65 59.66 2kgo s ILE 66 Cb -0.31 -3.47 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 2kgo s ILE 66 CO 0.35 -0.20 1.20 -2.16 -1.23 0.00 0.00 174.94 172.89 2kgo s PRO 67 N 4.99 3.75 0.64 2.79 0.04 -1.26 -4.83 135.00 141.12 2kgo s PRO 67 Ca 0.80 1.86 0.41 0.00 0.04 0.00 0.00 61.00 64.11 2kgo s PRO 67 Cb -0.29 -2.45 2.19 0.00 0.04 0.00 0.00 34.50 33.99 2kgo s PRO 67 CO 0.32 -0.58 2.30 -0.56 0.04 0.00 0.00 177.00 178.52 2kgo h GLN 68 N 2.11 0.00 -0.21 4.56 -0.00 -1.97 -1.72 115.11 117.88 2kgo h GLN 68 Ca -0.49 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.17 2kgo h GLN 68 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.71 2kgo h GLN 68 CO 0.60 0.01 0.08 0.00 -0.00 0.00 0.00 178.83 179.52 2kgo h ALA 69 N 1.99 0.24 0.00 0.06 0.00 -1.99 -1.24 119.26 118.32 2kgo h ALA 69 Ca -0.00 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2kgo h ALA 69 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2kgo h ALA 69 CO 0.00 -0.33 -0.55 0.00 0.00 0.00 0.00 179.25 178.37 2kgo h ARG 70 N 0.19 0.00 -0.22 0.00 2.47 -1.70 -0.92 114.38 114.20 2kgo h ARG 70 Ca 0.09 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.66 2kgo h ARG 70 Cb 0.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2kgo h ARG 70 CO -0.08 0.55 -0.47 0.00 0.56 0.00 0.00 179.97 180.52 2kgo h ARG 71 N 0.00 0.58 0.03 0.04 3.08 -1.22 -0.54 114.38 116.35 2kgo h ARG 71 Ca -0.01 -0.33 -0.29 0.00 0.07 0.00 0.00 59.98 59.43 2kgo h ARG 71 Cb 1.01 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 2kgo h ARG 71 CO 0.07 0.93 -1.60 1.05 -1.07 0.00 0.00 179.97 179.35 2kgo h GLU 72 N 0.46 0.06 -0.47 0.04 -0.00 -1.20 -3.36 114.58 110.11 2kgo h GLU 72 Ca 0.03 -0.10 -0.13 0.00 -0.00 0.00 0.00 59.36 59.15 2kgo h GLU 72 Cb 1.00 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.77 2kgo h GLU 72 CO 0.09 0.73 -0.22 0.00 -0.00 0.00 0.00 179.01 179.61 2kgo h ALA 73 N 0.83 0.72 -3.54 1.06 0.00 -1.20 -3.41 119.26 113.72 2kgo h ALA 73 Ca -0.25 -0.39 -0.63 0.00 0.00 0.00 0.00 54.91 53.64 2kgo h ALA 73 Cb 1.98 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 19.21 2kgo h ALA 73 CO 0.10 0.67 -0.74 0.42 0.00 0.00 0.00 179.25 179.70 2kgo s ILE 74 N -4.66 1.76 -0.23 0.00 1.01 -0.21 -5.07 121.20 113.80 2kgo s ILE 74 Ca -0.11 -1.87 -0.28 0.00 0.00 0.00 0.00 60.65 58.39 2kgo s ILE 74 Cb 0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 2kgo s ILE 74 CO 0.87 -0.51 2.08 -2.16 0.00 0.00 0.00 174.94 175.22 2kgo s PRO 75 N 1.19 3.26 0.00 2.79 0.04 -1.26 -2.40 135.00 138.63 2kgo s PRO 75 Ca 0.07 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2kgo s PRO 75 Cb -0.19 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2kgo s PRO 75 CO -0.12 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.37 2kgo n GLY 76 N 5.57 0.85 3.77 0.56 0.00 -1.26 -4.89 105.19 109.78 2kgo n GLY 76 Ca 0.27 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.76 3.00 0.00 1.61 0.11 -1.01 -4.76 120.40 116.60 2kgo s VAL 77 Ca 0.00 0.88 0.00 0.00 -2.93 0.00 0.00 61.98 59.93 2kgo s VAL 77 Cb 0.00 -3.51 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 2kgo s VAL 77 CO 0.00 0.11 0.36 -2.11 -3.33 0.00 0.00 175.10 170.14 2kgo n ARG 78 N 0.22 0.12 -4.59 1.54 -4.01 -1.26 -2.88 116.66 105.80 2kgo n ARG 78 Ca 0.03 -0.43 -0.23 0.00 -1.04 0.00 0.00 57.85 56.19 2kgo n ARG 78 Cb 0.45 -0.70 -0.16 0.00 -3.04 0.00 0.00 32.46 29.01 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 -0.13 1.83 0.94 2.89 1.43 -1.26 -1.84 118.68 122.54 2kgo s LEU 79 Ca 0.00 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2kgo s LEU 79 Cb 0.00 -0.75 0.16 0.00 0.03 0.00 0.00 46.19 45.63 2kgo s LEU 79 CO 0.00 0.10 1.09 0.00 0.23 0.00 0.00 176.35 177.77 2kgo h ILE 81 N -1.80 0.43 0.10 0.00 2.10 -1.95 0.11 117.51 116.50 2kgo h ILE 81 Ca -0.50 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.44 2kgo h ILE 81 Cb 1.28 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 2kgo h ILE 81 CO 0.50 0.00 -0.05 0.45 -1.08 0.00 0.00 178.15 177.97 2kgo h HIS 82 N 0.00 -0.12 0.00 2.19 3.86 -1.99 -2.82 115.15 116.27 2kgo h HIS 82 Ca 0.29 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2kgo h HIS 82 Cb 1.37 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.88 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 0.06 -0.14 0.00 -0.00 -0.94 -3.24 115.11 110.85 2kgo h GLN 84 Ca 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.65 58.54 2kgo h GLN 84 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.80 2kgo h GLN 84 CO 0.00 1.05 0.05 -0.56 0.00 0.00 0.00 178.83 179.37 2kgo h GLN 85 N -0.85 0.20 -0.18 1.69 3.07 -1.34 0.38 115.11 118.08 2kgo h GLN 85 Ca -0.14 -0.02 -0.21 0.00 0.09 0.00 0.00 58.65 58.37 2kgo h GLN 85 Cb 1.24 -0.04 0.01 0.00 0.08 0.00 0.00 27.48 28.77 2kgo h GLN 85 CO -0.03 0.17 -0.70 1.05 0.09 0.00 0.00 178.83 179.41 2kgo h GLU 86 N 0.20 0.80 0.00 0.06 4.11 -1.73 -3.19 114.58 114.82 2kgo h GLU 86 Ca 0.05 -0.61 -0.01 0.00 0.07 0.00 0.00 59.36 58.86 2kgo h GLU 86 Cb 0.05 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kgo h GLU 86 CO -0.01 1.23 -0.07 0.87 0.07 0.00 0.00 179.01 181.10 2kgo h LYS 87 N 0.54 0.00 -0.65 1.06 1.79 -1.20 -2.89 116.57 115.22 2kgo h LYS 87 Ca -0.03 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2kgo h LYS 87 Cb 1.32 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 2kgo h LYS 87 CO 0.15 0.07 0.30 0.22 -1.08 0.00 0.00 179.45 179.11 2kgo h ASP 88 N 0.00 0.83 0.97 0.86 3.58 -0.30 0.02 116.42 122.39 2kgo h ASP 88 Ca -0.00 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 2kgo h ASP 88 Cb 0.76 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2kgo h ASP 88 CO 0.01 0.72 -0.10 -0.07 -2.88 0.00 0.00 179.24 176.91 2kgo h LEU 89 N 0.92 0.00 -0.80 2.28 3.38 -1.55 -3.08 115.31 116.46 2kgo h LEU 89 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2kgo h LEU 89 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kgo h LEU 89 CO -0.03 0.10 -0.55 0.00 0.09 0.00 0.00 178.44 178.06 2kgo n GLN 90 N -3.25 1.13 -1.66 1.13 1.13 -0.58 -4.97 117.38 110.32 2kgo n GLN 90 Ca 0.00 -0.78 -0.44 0.00 -1.94 0.00 0.00 57.00 53.84 2kgo n GLN 90 Cb 0.36 -1.44 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 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 -0.31 2.58 -0.30 -1.09 5.02 -0.11 -4.90 118.16 119.05 2kgo n LYS 91 Ca 0.08 0.93 0.07 0.00 -2.02 0.00 0.00 58.31 57.37 2kgo n LYS 91 Cb 0.42 -2.93 0.29 0.00 -0.02 0.00 0.00 35.03 32.78 2kgo n LYS 91 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2kgo h PRO 92 N 10.72 0.88 -0.62 1.97 0.11 -1.92 -3.47 132.00 139.68 2kgo h PRO 92 Ca -0.48 -0.05 -0.26 0.00 0.11 0.00 0.00 66.00 65.31 2kgo h PRO 92 Cb 1.25 -0.20 -0.10 0.00 0.11 0.00 0.00 31.00 32.06 2kgo h PRO 92 CO 0.95 0.58 -0.24 0.00 -0.21 0.00 0.00 178.00 179.08 2kgo n ALA 93 N -2.40 -0.20 -2.10 -0.75 0.00 -1.26 -4.99 120.51 108.82 2kgo n ALA 93 Ca 0.16 0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.73 2kgo n ALA 93 Cb 0.32 -1.57 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.35 0.58 -0.74 0.00 -0.85 -1.26 -5.12 117.35 107.60 2kgo s TYR 94 Ca 0.00 -1.08 -0.05 0.00 -0.52 0.00 0.00 57.07 55.42 2kgo s TYR 94 Cb 0.00 -0.41 0.19 0.00 0.38 0.00 0.00 41.96 42.12 2kgo s TYR 94 CO 0.00 -0.39 0.60 0.95 -1.52 0.00 0.00 175.55 175.19 2kgo s THR 95 N -3.92 4.27 -0.35 -3.49 -4.23 -1.26 -4.90 115.64 101.76 2kgo s THR 95 Ca 0.09 -3.11 0.10 0.00 -1.18 0.00 0.00 61.69 57.59 2kgo s THR 95 Cb 0.08 -3.71 0.45 0.00 1.34 0.00 0.00 72.50 70.66 2kgo s THR 95 CO -0.08 -0.96 1.11 0.61 -0.54 0.00 0.00 174.62 174.75 2kgo n GLY 96 N 3.26 4.99 3.20 3.99 0.00 -1.26 -4.49 105.19 114.88 2kgo n GLY 96 Ca 0.13 -2.33 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.53 1.01 -1.28 1.61 1.13 -1.26 -5.07 117.35 109.97 2kgo s TYR 97 Ca 0.43 -0.90 -0.17 0.00 -1.41 0.00 0.00 57.07 55.02 2kgo s TYR 97 Cb 0.40 -0.57 -0.00 0.00 -1.10 0.00 0.00 41.96 40.69 2kgo s TYR 97 CO -0.07 -0.12 2.07 0.09 -2.51 0.00 0.00 175.55 175.02 2kgo n ASN 98 N -0.10 3.71 -1.76 -0.18 4.13 -1.26 -4.61 115.26 115.19 2kgo n ASN 98 Ca -0.11 -2.81 -0.05 0.00 1.68 0.00 0.00 54.58 53.29 2kgo n ASN 98 Cb 0.61 -1.56 -0.01 0.00 -1.54 0.00 0.00 39.78 37.28 2kgo n ASN 98 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kgo n ARG 99 N 6.77 0.32 -1.95 3.52 1.74 -1.26 -4.53 116.66 121.26 2kgo n ARG 99 Ca 0.51 -1.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.14 2kgo n ARG 99 Cb 0.41 1.06 -0.02 0.00 -1.02 0.00 0.00 32.46 32.89 2kgo n ARG 99 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2kgo s ARG 100 N -2.24 4.23 0.00 5.56 3.52 -1.26 -2.75 118.95 126.01 2kgo s ARG 100 Ca 0.10 2.38 0.00 0.00 -0.13 0.00 0.00 55.73 58.08 2kgo s ARG 100 Cb -0.01 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 2kgo s ARG 100 CO 0.07 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 2kgo n GLY 101 N 1.46 0.37 0.00 8.12 0.00 -1.26 -5.06 105.19 108.82 2kgo n GLY 101 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kgo n GLY 101 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgo n SER 102 N 0.00 0.54 -3.77 1.61 2.88 -1.11 -4.79 113.62 108.97 2kgo n SER 102 Ca 0.00 -0.45 -0.14 0.00 -1.33 0.00 0.00 58.87 56.96 2kgo n SER 102 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 2kgo n SER 102 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2kgo s LYS 103 N -0.34 0.06 0.02 -1.46 0.00 -1.26 -4.93 119.74 111.82 2kgo s LYS 103 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 55.97 56.27 2kgo s LYS 103 Cb 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 37.83 37.42 2kgo s LYS 103 CO 0.00 -0.14 0.91 -0.44 0.00 0.00 0.00 175.35 175.68 2kgo h ASP 104 N 7.04 0.25 -0.45 0.03 5.19 -1.91 -3.48 116.42 123.08 2kgo h ASP 104 Ca -0.41 -0.34 -0.19 0.00 -0.62 0.00 0.00 57.03 55.47 2kgo h ASP 104 Cb 1.15 -0.08 -0.08 0.00 0.18 0.00 0.00 39.33 40.50 2kgo h ASP 104 CO 0.44 1.29 -0.18 -0.24 -3.12 0.00 0.00 179.24 177.43 2kgo n SER 105 N -3.36 -5.12 -4.62 6.45 2.88 -1.26 -4.81 113.62 103.78 2kgo n SER 105 Ca -0.13 0.23 -0.43 0.00 -1.33 0.00 0.00 58.87 57.21 2kgo n SER 105 Cb 1.02 -3.45 -0.02 0.00 -0.75 0.00 0.00 64.21 61.01 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 -2.61 3.82 -1.40 -1.46 -0.21 -1.26 -4.95 119.66 111.59 2kgo s GLN 106 Ca 0.00 0.87 -0.15 0.00 0.02 0.00 0.00 55.36 56.10 2kgo s GLN 106 Cb 0.00 -3.88 0.06 0.00 1.00 0.00 0.00 33.01 30.19 2kgo s GLN 106 CO 0.00 -1.25 2.05 1.47 -2.12 0.00 0.00 175.29 175.44 2kgo n LEU 107 N 7.72 6.24 -0.95 2.90 -0.00 -1.26 -5.24 117.00 126.41 2kgo n LEU 107 Ca 0.13 -4.10 0.12 0.00 -0.00 0.00 0.00 56.01 52.16 2kgo n LEU 107 Cb 0.48 -1.68 0.11 0.00 -0.00 0.00 0.00 43.42 42.33 2kgo n LEU 107 CO 0.67 0.82 0.64 0.54 -0.00 0.00 0.00 177.39 180.06