#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 2.66 -0.08 3.17 0.00 -1.26 -4.96 121.76 121.28 2kgo s ALA 22 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 2kgo s ALA 22 Cb 0.00 -4.17 0.03 0.00 0.00 0.00 0.00 23.12 18.98 2kgo s ALA 22 CO 0.00 -3.19 0.19 -1.12 0.00 0.00 0.00 175.76 171.64 2kgo s SER 23 N 5.27 -0.20 0.00 0.00 0.01 -1.26 -4.89 113.70 112.63 2kgo s SER 23 Ca 0.55 0.40 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2kgo s SER 23 Cb -0.11 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2kgo s SER 23 CO 0.23 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2kgo n GLY 24 N 3.62 2.65 0.20 3.44 0.00 -0.31 -4.85 105.19 109.93 2kgo n GLY 24 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 0.47 0.00 1.61 5.08 -1.98 -3.39 115.95 117.74 2kgo h TRP 25 Ca 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 58.89 59.81 2kgo h TRP 25 Cb 0.00 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.07 2kgo h TRP 25 CO 0.00 0.82 -0.02 0.00 -1.28 0.00 0.00 178.44 177.95 2kgo n ALA 26 N -2.49 1.21 -3.32 0.11 0.00 -1.26 -5.09 120.51 109.67 2kgo n ALA 26 Ca -0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 2kgo n ALA 26 Cb 0.57 -0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.05 0.15 0.26 0.00 4.22 -1.26 -5.09 114.94 113.18 2kgo s ASN 27 Ca 0.00 0.05 -0.06 0.00 -2.14 0.00 0.00 52.86 50.71 2kgo s ASN 27 Cb 0.00 1.20 -0.01 0.00 1.28 0.00 0.00 41.25 43.72 2kgo s ASN 27 CO 0.00 -0.32 0.38 -0.62 -2.04 0.00 0.00 177.10 174.50 2kgo s ASP 28 N 2.57 0.28 0.15 3.54 2.15 -1.26 -1.16 116.67 122.93 2kgo s ASP 28 Ca 0.12 -1.22 -0.04 0.00 0.43 0.00 0.00 52.55 51.84 2kgo s ASP 28 Cb -0.14 0.55 -0.03 0.00 -0.30 0.00 0.00 42.92 43.00 2kgo s ASP 28 CO -0.22 -1.10 1.36 -0.78 -0.17 0.00 0.00 175.17 174.26 2kgo h ASP 29 N 2.31 0.56 0.16 -0.34 3.58 -2.01 -1.18 116.42 119.51 2kgo h ASP 29 Ca -0.29 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 56.75 2kgo h ASP 29 Cb 1.25 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2kgo h ASP 29 CO 0.41 1.18 0.00 0.00 -2.88 0.00 0.00 179.24 177.94 2kgo n ALA 30 N -2.54 2.20 -0.06 -0.78 0.00 -1.26 -2.08 120.51 115.99 2kgo n ALA 30 Ca -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 2kgo n ALA 30 Cb 0.77 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.12 0.78 -0.01 0.00 0.31 -0.98 -4.53 118.33 112.78 2kgo n VAL 31 Ca 0.13 -0.54 0.02 0.00 -0.01 0.00 0.00 64.34 63.94 2kgo n VAL 31 Cb 0.11 -0.48 0.35 0.00 -0.91 0.00 0.00 33.84 32.91 2kgo n VAL 31 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2kgo h ASN 32 N 0.00 0.49 0.04 4.52 2.35 -0.65 -2.41 115.58 119.93 2kgo h ASN 32 Ca -0.31 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2kgo h ASN 32 Cb 1.64 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.88 2kgo h ASN 32 CO 0.02 0.46 -0.00 1.05 -1.65 0.00 0.00 177.43 177.31 2kgo h GLU 33 N 0.54 0.00 -0.13 0.81 4.11 -1.75 -1.08 114.58 117.08 2kgo h GLU 33 Ca 0.13 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.39 2kgo h GLU 33 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2kgo h GLU 33 CO -0.01 0.00 -0.62 0.37 0.07 0.00 0.00 179.01 178.82 2kgo h GLN 34 N 0.00 0.48 0.00 1.06 -0.00 -1.71 -3.12 115.11 111.83 2kgo h GLN 34 Ca -0.00 -0.34 -0.15 0.00 -0.00 0.00 0.00 58.65 58.16 2kgo h GLN 34 Cb 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.54 2kgo h GLN 34 CO 0.00 0.95 -0.90 0.82 0.00 0.00 0.00 178.83 179.70 2kgo h ILE 35 N 0.35 0.91 -4.02 2.39 1.08 -1.49 -3.46 117.51 113.28 2kgo h ILE 35 Ca -0.01 -2.39 -0.45 0.00 -0.39 0.00 0.00 64.86 61.62 2kgo h ILE 35 Cb 1.18 2.39 0.15 0.00 -3.07 0.00 0.00 36.82 37.47 2kgo h ILE 35 CO 0.11 0.52 0.25 0.21 -0.69 0.00 0.00 178.15 178.56 2kgo s ASN 36 N -6.30 2.84 0.00 1.72 3.84 -0.48 -4.92 114.94 111.64 2kgo s ASN 36 Ca 0.01 0.91 0.06 0.00 0.21 0.00 0.00 52.86 54.06 2kgo s ASN 36 Cb 0.08 -1.43 0.36 0.00 -0.55 0.00 0.00 41.25 39.72 2kgo s ASN 36 CO 0.78 -2.96 0.87 -1.20 -2.79 0.00 0.00 177.10 171.79 2kgo n SER 37 N -4.03 0.00 0.25 -4.21 7.64 -1.26 -3.67 113.62 108.34 2kgo n SER 37 Ca 0.08 -0.93 0.10 0.00 1.01 0.00 0.00 58.87 59.13 2kgo n SER 37 Cb 0.59 0.00 0.65 0.00 -1.01 0.00 0.00 64.21 64.44 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 0.76 -0.61 0.44 2.02 -1.92 -0.99 112.91 112.61 2kgo h THR 38 Ca 0.00 -0.57 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 2kgo h THR 38 Cb 0.00 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2kgo h THR 38 CO 0.00 0.14 0.00 0.40 0.37 0.00 0.00 175.52 176.44 2kgo h ILE 39 N 0.00 1.26 0.00 3.11 1.08 -1.70 0.56 117.51 121.82 2kgo h ILE 39 Ca -0.00 -1.15 -0.21 0.00 -0.39 0.00 0.00 64.86 63.11 2kgo h ILE 39 Cb 0.33 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 2kgo h ILE 39 CO 0.02 0.42 -1.19 1.05 -0.69 0.00 0.00 178.15 177.76 2kgo h GLU 40 N 0.97 0.00 -0.10 2.37 4.11 -1.74 -3.00 114.58 117.20 2kgo h GLU 40 Ca 0.17 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.52 2kgo h GLU 40 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2kgo h GLU 40 CO 0.03 0.67 -0.32 0.22 0.07 0.00 0.00 179.01 179.68 2kgo h ASP 41 N 0.00 0.19 -0.27 3.06 3.58 -1.11 -1.27 116.42 120.59 2kgo h ASP 41 Ca -0.11 -0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.15 2kgo h ASP 41 Cb 1.75 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.74 2kgo h ASP 41 CO 0.09 0.50 -0.26 0.00 -2.88 0.00 0.00 179.24 176.69 2kgo h ALA 42 N 1.51 0.84 -0.47 -0.78 0.00 -0.82 -1.72 119.26 117.82 2kgo h ALA 42 Ca 0.02 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2kgo h ALA 42 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kgo h ALA 42 CO 0.05 0.64 -0.21 0.82 0.00 0.00 0.00 179.25 180.55 2kgo h ILE 43 N 0.66 1.27 -0.06 0.00 1.08 -1.36 -2.86 117.51 116.24 2kgo h ILE 43 Ca 0.08 -1.36 -0.00 0.00 -0.39 0.00 0.00 64.86 63.19 2kgo h ILE 43 Cb 0.78 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.65 2kgo h ILE 43 CO 0.06 0.47 0.02 0.00 -0.69 0.00 0.00 178.15 178.01 2kgo h ALA 44 N 0.93 0.07 0.00 1.87 0.00 -1.03 -2.32 119.26 118.78 2kgo h ALA 44 Ca 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2kgo h ALA 44 Cb 0.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kgo h ALA 44 CO 0.06 -0.33 -0.26 0.07 0.00 0.00 0.00 179.25 178.79 2kgo h ARG 45 N -0.09 0.00 0.17 0.00 0.11 -1.40 -0.88 114.38 112.30 2kgo h ARG 45 Ca 0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.09 2kgo h ARG 45 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 2kgo h ARG 45 CO -0.00 0.26 -0.08 0.00 0.10 0.00 0.00 179.97 180.25 2kgo h ALA 46 N 1.74 -0.28 0.00 0.08 0.00 -1.35 -3.43 119.26 116.02 2kgo h ALA 46 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kgo h ALA 46 Cb 0.75 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2kgo h ALA 46 CO 0.03 -0.26 -1.20 2.89 0.00 0.00 0.00 179.25 180.71 2kgo n ARG 47 N -4.29 0.20 -2.33 0.00 1.85 -0.89 -5.04 116.66 106.17 2kgo n ARG 47 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 57.85 56.78 2kgo n ARG 47 Cb 0.09 -1.10 0.00 0.00 -1.05 0.00 0.00 32.46 30.40 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 2.26 0.76 0.10 2.89 0.00 -0.34 -5.02 105.19 105.84 2kgo n GLY 48 Ca -0.01 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.03 0.00 -6.32 1.61 4.81 -1.75 -3.46 114.58 109.44 2kgo h GLU 49 Ca -0.01 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.67 2kgo h GLU 49 Cb 1.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 2kgo h GLU 49 CO 0.01 0.79 0.53 0.42 -0.73 0.00 0.00 179.01 180.02 2kgo s ILE 50 N -2.33 4.72 0.72 2.32 -1.09 -1.26 -5.01 121.20 119.26 2kgo s ILE 50 Ca -0.26 1.98 -0.12 0.00 -2.23 0.00 0.00 60.65 60.02 2kgo s ILE 50 Cb 0.05 -4.27 0.16 0.00 -1.58 0.00 0.00 42.46 36.82 2kgo s ILE 50 CO 0.51 0.05 0.97 -0.81 -1.23 0.00 0.00 174.94 174.44 2kgo n PRO 51 N 4.68 -0.94 -2.14 2.79 -0.04 -1.26 -4.57 135.00 133.52 2kgo n PRO 51 Ca 0.08 -1.51 -0.42 0.00 -0.04 0.00 0.00 63.50 61.60 2kgo n PRO 51 Cb 0.49 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 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 -3.06 3.14 0.00 0.54 1.74 -1.26 -4.58 116.66 113.18 2kgo n ARG 52 Ca 0.12 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.15 2kgo n ARG 52 Cb 0.42 -3.23 0.00 0.00 -1.02 0.00 0.00 32.46 28.64 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 4.05 1.88 0.00 -0.13 0.00 -1.26 -4.74 105.19 104.99 2kgo n GLY 53 Ca 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 0.00 -1.42 1.61 -0.00 -1.26 -4.95 120.64 114.61 2kgo n GLU 54 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.16 56.79 2kgo n GLU 54 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 31.44 31.49 2kgo n GLU 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2kgo n SER 55 N 0.00 -0.66 -4.76 -1.84 7.64 -1.26 -4.55 113.62 108.19 2kgo n SER 55 Ca 0.00 0.69 -0.30 0.00 1.01 0.00 0.00 58.87 60.28 2kgo n SER 55 Cb 0.00 -1.24 -0.04 0.00 -1.01 0.00 0.00 64.21 61.92 2kgo n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kgo n LEU 56 N -0.16 0.00 -0.31 -3.43 -0.00 -1.17 -4.75 117.00 107.18 2kgo n LEU 56 Ca 0.12 -3.05 0.03 0.00 -0.00 0.00 0.00 56.01 53.10 2kgo n LEU 56 Cb 0.48 0.17 0.07 0.00 -0.00 0.00 0.00 43.42 44.15 2kgo n LEU 56 CO 0.50 -0.52 0.53 0.47 -0.00 0.00 0.00 177.39 178.37 2kgo n ASP 57 N -1.55 2.29 -3.53 1.45 8.00 -1.26 -4.76 116.55 117.19 2kgo n ASP 57 Ca -0.12 -1.86 -0.23 0.00 0.71 0.00 0.00 54.79 53.28 2kgo n ASP 57 Cb 0.64 -0.10 -0.14 0.00 -0.02 0.00 0.00 41.12 41.50 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kgo s GLU 58 N -0.91 0.16 0.09 -1.24 2.02 -1.26 -1.74 118.70 115.83 2kgo s GLU 58 Ca 0.11 -0.09 -0.36 0.00 0.02 0.00 0.00 54.97 54.65 2kgo s GLU 58 Cb 0.06 -1.36 -0.16 0.00 0.10 0.00 0.00 34.13 32.77 2kgo s GLU 58 CO 0.08 -0.78 1.42 0.00 0.02 0.00 0.00 175.26 176.00 2kgo n GLU 60 N 2.87 0.12 -0.09 0.00 0.28 -0.60 -0.14 120.64 123.08 2kgo n GLU 60 Ca 0.18 0.39 -0.18 0.00 -0.16 0.00 0.00 57.16 57.40 2kgo n GLU 60 Cb 0.21 -1.74 -0.10 0.00 1.43 0.00 0.00 31.44 31.24 2kgo n GLU 60 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2kgo h GLU 61 N 0.00 0.00 0.00 3.44 4.39 -1.90 -3.42 114.58 117.08 2kgo h GLU 61 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2kgo h GLU 61 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2kgo h GLU 61 CO 0.00 0.81 -1.61 0.00 -1.16 0.00 0.00 179.01 177.04 2kgo n GLY 63 N 1.79 -0.22 3.78 0.00 0.00 0.81 -5.00 105.19 106.35 2kgo n GLY 63 Ca -0.04 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.94 3.48 -0.61 4.61 0.00 -1.25 -4.65 121.76 120.40 2kgo s ALA 64 Ca 0.16 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 52.09 2kgo s ALA 64 Cb -0.07 -2.86 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 2kgo s ALA 64 CO 0.20 0.27 2.44 -2.30 0.00 0.00 0.00 175.76 176.37 2kgo n PRO 65 N 1.94 0.82 -1.68 0.00 -0.02 -1.26 -1.29 135.00 133.52 2kgo n PRO 65 Ca -0.06 -0.15 -0.46 0.00 -2.02 0.00 0.00 63.50 60.81 2kgo n PRO 65 Cb 0.50 -3.23 -0.04 0.00 -0.02 0.00 0.00 33.50 30.71 2kgo n PRO 65 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2kgo n ILE 66 N 8.02 0.13 -2.45 4.25 2.08 -0.71 -4.97 119.36 125.72 2kgo n ILE 66 Ca 0.43 -0.02 -0.35 0.00 0.56 0.00 0.00 62.75 63.37 2kgo n ILE 66 Cb 0.46 -1.68 -0.02 0.00 -0.75 0.00 0.00 39.64 37.65 2kgo n ILE 66 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2kgo s PRO 67 N 1.64 3.68 0.49 0.38 0.04 -1.26 -4.85 135.00 135.12 2kgo s PRO 67 Ca 0.81 1.46 0.33 0.00 0.04 0.00 0.00 61.00 63.64 2kgo s PRO 67 Cb -0.65 -2.10 1.62 0.00 0.04 0.00 0.00 34.50 33.41 2kgo s PRO 67 CO 0.40 -0.55 2.00 -0.56 0.04 0.00 0.00 177.00 178.33 2kgo h GLN 68 N 1.52 0.00 -0.60 4.56 -0.00 -1.96 -2.25 115.11 116.38 2kgo h GLN 68 Ca -0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.14 2kgo h GLN 68 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.69 2kgo h GLN 68 CO 0.59 0.00 0.30 0.00 -0.00 0.00 0.00 178.83 179.72 2kgo h ALA 69 N 2.05 0.77 -0.05 0.06 0.00 -2.00 -1.25 119.26 118.84 2kgo h ALA 69 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2kgo h ALA 69 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kgo h ALA 69 CO 0.00 0.32 -0.65 0.00 0.00 0.00 0.00 179.25 178.92 2kgo h ARG 70 N 0.81 0.20 -0.40 0.00 2.47 -1.79 -2.32 114.38 113.36 2kgo h ARG 70 Ca 0.21 -0.15 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 2kgo h ARG 70 Cb 0.10 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2kgo h ARG 70 CO -0.03 0.78 -0.04 0.00 0.56 0.00 0.00 179.97 181.24 2kgo h ARG 71 N 0.15 0.74 0.14 0.04 3.08 -1.34 -1.25 114.38 115.94 2kgo h ARG 71 Ca -0.01 -0.26 -0.29 0.00 0.07 0.00 0.00 59.98 59.49 2kgo h ARG 71 Cb 1.17 -0.05 0.03 0.00 0.08 0.00 0.00 29.97 31.20 2kgo h ARG 71 CO 0.10 0.85 -1.22 1.05 -1.07 0.00 0.00 179.97 179.67 2kgo h GLU 72 N 0.56 0.57 0.00 0.04 4.11 -1.28 -3.28 114.58 115.30 2kgo h GLU 72 Ca 0.11 -0.81 -0.14 0.00 0.07 0.00 0.00 59.36 58.59 2kgo h GLU 72 Cb 0.54 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2kgo h GLU 72 CO 0.03 1.37 -0.65 0.00 0.07 0.00 0.00 179.01 179.83 2kgo h ALA 73 N 0.24 0.84 -2.96 1.06 0.00 -1.49 -3.39 119.26 113.56 2kgo h ALA 73 Ca -0.19 -0.59 -0.60 0.00 0.00 0.00 0.00 54.91 53.52 2kgo h ALA 73 Cb 1.91 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 19.20 2kgo h ALA 73 CO 0.23 0.81 -0.75 0.42 0.00 0.00 0.00 179.25 179.96 2kgo s ILE 74 N -3.40 1.17 -1.14 0.00 1.01 -0.47 -5.06 121.20 113.31 2kgo s ILE 74 Ca -0.00 -2.29 -0.22 0.00 0.00 0.00 0.00 60.65 58.13 2kgo s ILE 74 Cb 0.12 -1.83 -0.09 0.00 0.01 0.00 0.00 42.46 40.67 2kgo s ILE 74 CO 0.76 -0.88 1.92 -0.81 0.00 0.00 0.00 174.94 175.94 2kgo n PRO 75 N 3.78 1.65 0.00 2.79 -0.04 -1.23 -2.10 135.00 139.85 2kgo n PRO 75 Ca 0.08 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 2kgo n PRO 75 Cb 0.36 -3.61 0.00 0.00 -0.04 0.00 0.00 33.50 30.21 2kgo n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgo n GLY 76 N 5.59 0.67 3.77 0.55 0.00 -1.26 -4.58 105.19 109.93 2kgo n GLY 76 Ca 0.46 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.83 3.30 -0.00 1.61 0.11 -0.89 -4.72 120.40 118.98 2kgo s VAL 77 Ca 0.00 1.08 0.00 0.00 -2.93 0.00 0.00 61.98 60.13 2kgo s VAL 77 Cb 0.00 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 2kgo s VAL 77 CO 0.00 0.09 0.61 -2.11 -3.33 0.00 0.00 175.10 170.36 2kgo n ARG 78 N 0.10 0.52 -4.47 1.54 -4.01 -1.26 -3.04 116.66 106.04 2kgo n ARG 78 Ca 0.04 -0.71 -0.22 0.00 -1.04 0.00 0.00 57.85 55.93 2kgo n ARG 78 Cb 0.47 -0.59 -0.16 0.00 -3.04 0.00 0.00 32.46 29.14 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 -0.19 1.75 0.85 2.89 1.43 -1.26 -1.56 118.68 122.58 2kgo s LEU 79 Ca 0.00 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2kgo s LEU 79 Cb 0.00 -0.65 0.10 0.00 0.03 0.00 0.00 46.19 45.68 2kgo s LEU 79 CO 0.00 0.06 1.09 0.00 0.23 0.00 0.00 176.35 177.74 2kgo h ILE 81 N -1.41 0.59 -0.12 0.00 2.10 -1.97 0.26 117.51 116.96 2kgo h ILE 81 Ca -0.46 -0.05 -0.05 0.00 1.08 0.00 0.00 64.86 65.38 2kgo h ILE 81 Cb 1.26 0.42 -0.00 0.00 -1.09 0.00 0.00 36.82 37.41 2kgo h ILE 81 CO 0.52 0.03 -0.11 0.45 -1.08 0.00 0.00 178.15 177.96 2kgo h HIS 82 N 0.15 0.33 0.00 2.19 -0.00 -2.01 -2.40 115.15 113.41 2kgo h HIS 82 Ca 0.45 -0.10 -0.15 0.00 -0.00 0.00 0.00 60.37 60.57 2kgo h HIS 82 Cb 1.53 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.85 2kgo h HIS 82 CO -0.00 0.68 -0.73 0.00 -0.00 0.00 0.00 177.93 177.88 2kgo h GLN 84 N 0.00 0.44 -0.87 0.00 -0.00 -0.51 -2.77 115.11 111.40 2kgo h GLN 84 Ca -0.01 -0.52 0.05 0.00 -0.00 0.00 0.00 58.65 58.17 2kgo h GLN 84 Cb 1.32 0.16 -0.05 0.00 0.00 0.00 0.00 27.48 28.91 2kgo h GLN 84 CO 0.10 1.18 0.57 -0.56 0.00 0.00 0.00 178.83 180.11 2kgo h GLN 85 N -0.06 1.01 0.02 1.69 3.07 -1.58 0.14 115.11 119.40 2kgo h GLN 85 Ca -0.10 -0.06 -0.25 0.00 0.09 0.00 0.00 58.65 58.33 2kgo h GLN 85 Cb 1.47 -0.23 0.01 0.00 0.08 0.00 0.00 27.48 28.81 2kgo h GLN 85 CO 0.15 0.67 -1.02 1.05 0.09 0.00 0.00 178.83 179.76 2kgo h GLU 86 N 1.04 0.52 0.00 0.06 4.11 -1.71 -3.26 114.58 115.34 2kgo h GLU 86 Ca 0.36 -0.58 -0.05 0.00 0.07 0.00 0.00 59.36 59.15 2kgo h GLU 86 Cb 0.10 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2kgo h GLU 86 CO -0.12 1.21 -0.25 0.87 0.07 0.00 0.00 179.01 180.79 2kgo h LYS 87 N 0.28 0.00 0.00 1.06 1.79 -1.12 -3.15 116.57 115.44 2kgo h LYS 87 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2kgo h LYS 87 Cb 1.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 2kgo h LYS 87 CO 0.19 0.25 0.00 0.22 -1.08 0.00 0.00 179.45 179.03 2kgo h ASP 88 N 0.00 0.00 1.23 0.86 3.58 -0.77 -2.13 116.42 119.18 2kgo h ASP 88 Ca -0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2kgo h ASP 88 Cb 1.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2kgo h ASP 88 CO 0.03 0.00 -0.26 -0.07 -2.88 0.00 0.00 179.24 176.06 2kgo h LEU 89 N 0.00 0.00 -1.08 2.28 3.38 -1.61 -3.25 115.31 115.04 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 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kgo h LEU 89 CO 0.00 0.26 -0.08 0.00 0.09 0.00 0.00 178.44 178.71 2kgo n GLN 90 N -3.29 1.62 -1.80 1.13 1.13 -0.81 -4.90 117.38 110.47 2kgo n GLN 90 Ca 0.01 -1.08 -0.42 0.00 -1.94 0.00 0.00 57.00 53.57 2kgo n GLN 90 Cb 0.52 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.37 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 -2.12 4.10 0.23 -1.09 -0.14 -1.21 -4.91 119.74 114.60 2kgo s LYS 91 Ca 0.32 2.41 0.04 0.00 -1.36 0.00 0.00 55.97 57.39 2kgo s LYS 91 Cb 0.20 -4.11 0.24 0.00 -1.68 0.00 0.00 37.83 32.48 2kgo s LYS 91 CO 0.38 -0.98 1.55 -1.00 -0.76 0.00 0.00 175.35 174.54 2kgo h PRO 92 N 10.44 0.25 -0.23 -1.68 0.13 -1.94 -3.47 132.00 135.50 2kgo h PRO 92 Ca -0.45 -0.17 -0.10 0.00 -0.87 0.00 0.00 66.00 64.41 2kgo h PRO 92 Cb 1.21 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2kgo h PRO 92 CO 0.95 0.78 -0.09 0.00 -0.23 0.00 0.00 178.00 179.41 2kgo n ALA 93 N -2.47 -0.07 -3.17 -0.56 0.00 -1.26 -4.97 120.51 108.01 2kgo n ALA 93 Ca -0.02 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 2kgo n ALA 93 Cb 0.62 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.76 0.63 -0.52 0.00 1.13 -1.26 -5.14 117.35 110.44 2kgo s TYR 94 Ca 0.00 -1.00 0.03 0.00 -1.41 0.00 0.00 57.07 54.70 2kgo s TYR 94 Cb 0.00 0.19 0.14 0.00 -1.10 0.00 0.00 41.96 41.19 2kgo s TYR 94 CO 0.00 -1.17 0.31 0.95 -2.51 0.00 0.00 175.55 173.13 2kgo s THR 95 N -3.26 2.02 -1.16 -3.49 -4.23 -1.26 -5.05 115.64 99.20 2kgo s THR 95 Ca 0.25 -3.18 -0.17 0.00 -1.18 0.00 0.00 61.69 57.41 2kgo s THR 95 Cb -0.01 -2.38 0.12 0.00 1.34 0.00 0.00 72.50 71.57 2kgo s THR 95 CO 0.15 -0.92 1.46 -0.83 -0.54 0.00 0.00 174.62 173.94 2kgo s GLY 96 N -0.27 1.99 -0.31 3.99 0.00 -1.26 -4.99 107.32 106.47 2kgo s GLY 96 Ca 0.20 -3.02 -0.25 0.00 0.00 0.00 0.00 44.72 41.65 2kgo s GLY 96 CO -0.05 2.29 0.88 -0.19 0.00 0.00 0.00 173.10 176.03 2kgo s TYR 97 N 2.85 3.19 -0.52 1.90 2.02 -1.26 -5.00 117.35 120.52 2kgo s TYR 97 Ca 0.44 0.93 0.04 0.00 -0.37 0.00 0.00 57.07 58.11 2kgo s TYR 97 Cb -0.01 -3.37 0.16 0.00 -0.40 0.00 0.00 41.96 38.34 2kgo s TYR 97 CO -0.01 -0.63 0.37 -0.80 -1.57 0.00 0.00 175.55 172.91 2kgo s ASN 98 N 1.63 3.24 -1.12 2.29 0.01 -1.26 -5.05 114.94 114.68 2kgo s ASN 98 Ca 0.36 -3.22 -0.18 0.00 -0.71 0.00 0.00 52.86 49.12 2kgo s ASN 98 Cb -0.13 -1.02 0.11 0.00 0.41 0.00 0.00 41.25 40.62 2kgo s ASN 98 CO 0.13 -0.17 1.42 -0.13 -1.51 0.00 0.00 177.10 176.85 2kgo s ARG 99 N -0.39 3.84 0.19 -0.60 0.52 -1.26 -4.91 118.95 116.34 2kgo s ARG 99 Ca 0.26 -1.95 -0.05 0.00 -0.52 0.00 0.00 55.73 53.47 2kgo s ARG 99 Cb -0.07 -5.19 -0.03 0.00 0.52 0.00 0.00 34.95 30.19 2kgo s ARG 99 CO -0.13 -1.96 0.20 -0.98 0.02 0.00 0.00 175.30 172.45 2kgo s ARG 100 N 3.12 1.20 0.22 3.54 1.70 -1.26 -5.08 118.95 122.39 2kgo s ARG 100 Ca 0.43 -1.44 -0.02 0.00 -0.47 0.00 0.00 55.73 54.23 2kgo s ARG 100 Cb -0.01 0.32 0.22 0.00 -0.57 0.00 0.00 34.95 34.90 2kgo s ARG 100 CO -0.03 -0.41 1.60 0.78 -1.08 0.00 0.00 175.30 176.16 2kgo h GLY 101 N 2.59 0.64 -7.20 3.88 0.00 -2.08 -3.38 103.07 97.53 2kgo h GLY 101 Ca -0.33 -0.62 -0.67 0.00 0.00 0.00 0.00 47.33 45.70 2kgo h GLY 101 CO 0.50 0.56 0.25 -1.35 0.00 0.00 0.00 176.54 176.50 2kgo s SER 102 N -6.84 6.20 -0.26 0.19 1.04 -1.26 -5.03 113.70 107.73 2kgo s SER 102 Ca -0.08 -1.14 -0.29 0.00 0.48 0.00 0.00 55.95 54.93 2kgo s SER 102 Cb 0.12 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.89 2kgo s SER 102 CO 0.82 -1.17 1.59 -0.54 0.98 0.00 0.00 173.24 174.93 2kgo s LYS 103 N 3.14 3.72 0.07 4.02 3.01 -1.26 -4.98 119.74 127.45 2kgo s LYS 103 Ca 0.16 1.51 -0.31 0.00 -1.01 0.00 0.00 55.97 56.33 2kgo s LYS 103 Cb -0.20 -4.04 -0.07 0.00 -1.01 0.00 0.00 37.83 32.50 2kgo s LYS 103 CO 0.09 -1.39 1.44 0.16 0.51 0.00 0.00 175.35 176.17 2kgo s ASP 104 N 4.33 6.79 -0.47 2.83 -4.77 -1.26 -4.95 116.67 119.17 2kgo s ASP 104 Ca 0.70 2.29 0.06 0.00 -3.30 0.00 0.00 52.55 52.30 2kgo s ASP 104 Cb -0.23 -2.57 0.26 0.00 -1.09 0.00 0.00 42.92 39.29 2kgo s ASP 104 CO 0.30 -0.72 0.89 -0.24 0.70 0.00 0.00 175.17 176.10 2kgo n SER 105 N 4.70 -2.48 -4.56 2.11 2.88 -1.26 -5.13 113.62 109.89 2kgo n SER 105 Ca 0.13 -3.31 -0.34 0.00 -1.33 0.00 0.00 58.87 54.01 2kgo n SER 105 Cb 0.42 1.59 -0.11 0.00 -0.75 0.00 0.00 64.21 65.36 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 0.40 3.82 -1.18 -1.46 1.11 -1.26 -5.04 119.66 116.05 2kgo s GLN 106 Ca 0.31 -0.43 -0.21 0.00 0.01 0.00 0.00 55.36 55.04 2kgo s GLN 106 Cb 0.24 -3.11 -0.01 0.00 -1.01 0.00 0.00 33.01 29.11 2kgo s GLN 106 CO -0.20 0.20 1.82 -0.48 0.01 0.00 0.00 175.29 176.64 2kgo s LEU 107 N 0.52 3.39 0.00 2.90 2.34 -1.26 -5.35 118.68 121.23 2kgo s LEU 107 Ca 0.01 -1.81 0.00 0.00 0.06 0.00 0.00 54.13 52.38 2kgo s LEU 107 Cb -0.13 -2.58 0.00 0.00 -0.56 0.00 0.00 46.19 42.92 2kgo s LEU 107 CO 0.02 -2.21 0.15 0.54 -1.06 0.00 0.00 176.35 173.79