#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 5.76 -3.64 -5.12 0.00 -1.26 -4.78 120.51 111.47 2kgo n ALA 22 Ca 0.00 -4.08 -0.06 0.00 0.00 0.00 0.00 53.44 49.31 2kgo n ALA 22 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 19.45 16.19 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 1.74 -0.97 0.00 0.00 0.15 -1.26 -4.99 113.70 108.37 2kgo s SER 23 Ca 0.46 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2kgo s SER 23 Cb 0.13 1.55 0.00 0.00 -1.71 0.00 0.00 66.02 65.99 2kgo s SER 23 CO -0.04 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2kgo n GLY 24 N 4.56 1.92 0.32 9.45 0.00 -1.26 -4.82 105.19 115.35 2kgo n GLY 24 Ca -0.18 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 0.66 0.00 1.61 5.08 -1.94 -3.19 115.95 118.18 2kgo h TRP 25 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 2kgo h TRP 25 Cb 0.00 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 26.01 2kgo h TRP 25 CO 0.00 -0.07 0.00 0.00 -1.28 0.00 0.00 178.44 177.09 2kgo n ALA 26 N -2.49 0.53 -2.86 0.11 0.00 -1.26 -4.97 120.51 109.57 2kgo n ALA 26 Ca 0.23 -0.03 -0.44 0.00 0.00 0.00 0.00 53.44 53.20 2kgo n ALA 26 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2kgo n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kgo n ASN 27 N -0.18 5.30 -4.95 0.00 3.02 -1.20 -4.95 115.26 112.30 2kgo n ASN 27 Ca 0.00 -3.04 -0.22 0.00 -0.03 0.00 0.00 54.58 51.29 2kgo n ASN 27 Cb 0.05 -1.51 0.05 0.00 -0.61 0.00 0.00 39.78 37.76 2kgo n ASN 27 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kgo s ASP 28 N 1.92 5.13 -0.02 6.41 2.15 -1.26 -4.29 116.67 126.72 2kgo s ASP 28 Ca 0.40 0.04 -0.19 0.00 0.43 0.00 0.00 52.55 53.23 2kgo s ASP 28 Cb -0.00 -0.85 -0.33 0.00 -0.30 0.00 0.00 42.92 41.43 2kgo s ASP 28 CO -0.00 -1.27 0.92 0.44 -0.17 0.00 0.00 175.17 175.09 2kgo h ASP 29 N -0.08 0.63 -0.09 -0.34 3.32 -1.98 -2.58 116.42 115.29 2kgo h ASP 29 Ca -0.42 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 55.69 2kgo h ASP 29 Cb 1.30 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2kgo h ASP 29 CO 0.53 1.54 0.00 0.00 -1.72 0.00 0.00 179.24 179.59 2kgo n ALA 30 N -2.70 2.49 0.00 3.45 0.00 -1.26 -2.43 120.51 120.05 2kgo n ALA 30 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2kgo n ALA 30 Cb 0.95 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.23 0.00 -0.02 0.00 3.14 -1.24 -4.57 118.33 115.41 2kgo n VAL 31 Ca 0.03 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.33 2kgo n VAL 31 Cb 0.08 -0.57 0.09 0.00 -1.06 0.00 0.00 33.84 32.38 2kgo n VAL 31 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2kgo h ASN 32 N 0.00 0.65 0.58 6.55 -1.24 -1.28 -2.33 115.58 118.51 2kgo h ASN 32 Ca 0.00 -0.29 -0.06 0.00 0.71 0.00 0.00 56.30 56.66 2kgo h ASN 32 Cb 0.70 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 2kgo h ASN 32 CO 0.00 0.98 -0.30 1.05 -1.29 0.00 0.00 177.43 177.86 2kgo h GLU 33 N 0.51 0.00 -0.02 6.67 4.11 -1.76 -2.93 114.58 121.15 2kgo h GLU 33 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2kgo h GLU 33 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2kgo h GLU 33 CO 0.08 0.30 0.00 1.04 0.07 0.00 0.00 179.01 180.50 2kgo n GLN 34 N -3.73 1.33 0.08 1.06 1.13 -0.90 -1.83 117.38 114.52 2kgo n GLN 34 Ca -0.01 -0.48 -0.06 0.00 -1.94 0.00 0.00 57.00 54.51 2kgo n GLN 34 Cb 0.40 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.23 2kgo n GLN 34 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2kgo h ILE 35 N 1.12 1.66 -0.31 5.09 2.04 -1.31 -3.24 117.51 122.56 2kgo h ILE 35 Ca 0.00 -3.16 -0.07 0.00 1.00 0.00 0.00 64.86 62.63 2kgo h ILE 35 Cb 0.24 2.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 2kgo h ILE 35 CO 0.00 0.90 0.09 0.59 0.00 0.00 0.00 178.15 179.73 2kgo n ASN 36 N -3.44 3.17 0.28 1.72 3.02 -0.76 -4.42 115.26 114.83 2kgo n ASN 36 Ca -0.00 -2.50 0.16 0.00 -0.03 0.00 0.00 54.58 52.20 2kgo n ASN 36 Cb 0.87 -0.60 0.82 0.00 -0.61 0.00 0.00 39.78 40.26 2kgo n ASN 36 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2kgo h SER 37 N 1.37 0.00 -0.21 6.41 4.64 -1.60 -2.74 113.55 121.42 2kgo h SER 37 Ca 0.08 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.46 2kgo h SER 37 Cb 1.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 2kgo h SER 37 CO 0.30 0.07 0.19 0.74 -0.87 0.00 0.00 176.83 177.26 2kgo h THR 38 N 0.00 0.64 -0.58 2.95 2.02 -1.88 -1.39 112.91 114.67 2kgo h THR 38 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 2kgo h THR 38 Cb 0.30 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2kgo h THR 38 CO 0.01 0.00 0.06 0.40 0.37 0.00 0.00 175.52 176.36 2kgo h ILE 39 N 0.00 1.25 -0.20 3.11 5.03 -1.87 -3.05 117.51 121.78 2kgo h ILE 39 Ca 0.10 -1.02 -0.06 0.00 -0.12 0.00 0.00 64.86 63.76 2kgo h ILE 39 Cb 0.47 0.75 -0.01 0.00 -3.03 0.00 0.00 36.82 34.99 2kgo h ILE 39 CO -0.00 0.37 -0.15 1.05 -0.68 0.00 0.00 178.15 178.74 2kgo h GLU 40 N 0.89 0.33 0.29 2.37 4.11 -1.45 -2.63 114.58 118.50 2kgo h GLU 40 Ca 0.18 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 2kgo h GLU 40 Cb 0.44 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2kgo h GLU 40 CO 0.02 0.49 -0.14 -0.44 0.07 0.00 0.00 179.01 179.00 2kgo h ASP 41 N 0.31 -0.33 -0.99 3.06 5.19 -1.59 -0.24 116.42 121.83 2kgo h ASP 41 Ca 0.06 -0.11 0.13 0.00 -0.62 0.00 0.00 57.03 56.49 2kgo h ASP 41 Cb 0.45 0.09 -0.08 0.00 0.18 0.00 0.00 39.33 39.96 2kgo h ASP 41 CO 0.03 -0.09 0.63 0.00 -3.12 0.00 0.00 179.24 176.69 2kgo h ALA 42 N 0.08 1.56 0.00 3.45 0.00 -1.45 -1.68 119.26 121.22 2kgo h ALA 42 Ca -0.04 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2kgo h ALA 42 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2kgo h ALA 42 CO 0.07 0.18 -0.99 0.82 0.00 0.00 0.00 179.25 179.33 2kgo h ILE 43 N 0.95 0.98 0.00 0.00 1.08 -1.46 -2.79 117.51 116.28 2kgo h ILE 43 Ca 0.50 -2.51 -0.16 0.00 -0.39 0.00 0.00 64.86 62.30 2kgo h ILE 43 Cb 0.54 2.43 -0.02 0.00 -3.07 0.00 0.00 36.82 36.69 2kgo h ILE 43 CO -0.27 0.56 -0.75 0.00 -0.69 0.00 0.00 178.15 177.00 2kgo h ALA 44 N 1.30 0.73 -0.00 1.87 0.00 -0.26 -2.97 119.26 119.94 2kgo h ALA 44 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2kgo h ALA 44 Cb 1.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kgo h ALA 44 CO 0.08 0.94 -0.49 2.89 0.00 0.00 0.00 179.25 182.67 2kgo n ARG 45 N -3.61 0.26 0.16 0.00 1.85 -0.71 -1.74 116.66 112.87 2kgo n ARG 45 Ca -0.01 -0.16 -0.13 0.00 -1.00 0.00 0.00 57.85 56.55 2kgo n ARG 45 Cb 0.74 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.57 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 3.21 -0.42 0.00 2.89 0.00 -1.32 -3.43 119.26 120.19 2kgo h ALA 46 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kgo h ALA 46 Cb 0.51 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2kgo h ALA 46 CO 0.00 -0.56 0.00 2.89 0.00 0.00 0.00 179.25 181.58 2kgo n ARG 47 N -5.13 0.00 -0.61 0.00 -4.01 -1.22 -5.06 116.66 100.62 2kgo n ARG 47 Ca -0.09 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.72 2kgo n ARG 47 Cb 0.26 -0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.68 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 0.71 0.05 2.89 0.00 -0.71 -5.03 105.19 103.09 2kgo n GLY 48 Ca 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 0.01 -6.46 1.61 4.57 -1.74 -3.44 114.58 109.14 2kgo h GLU 49 Ca 0.00 -0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 2kgo h GLU 49 Cb 0.41 -0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2kgo h GLU 49 CO 0.00 0.22 0.87 0.42 -1.18 0.00 0.00 179.01 179.34 2kgo s ILE 50 N -5.33 3.30 0.91 2.32 -1.09 -1.26 -5.04 121.20 115.01 2kgo s ILE 50 Ca -0.14 0.80 -0.13 0.00 -2.23 0.00 0.00 60.65 58.95 2kgo s ILE 50 Cb 0.04 -3.51 0.18 0.00 -1.58 0.00 0.00 42.46 37.59 2kgo s ILE 50 CO 0.67 0.02 1.25 -2.16 -1.23 0.00 0.00 174.94 173.49 2kgo s PRO 51 N 2.08 0.91 -1.35 2.79 0.04 -1.26 -4.97 135.00 133.23 2kgo s PRO 51 Ca 0.68 -0.51 -0.13 0.00 0.04 0.00 0.00 61.00 61.08 2kgo s PRO 51 Cb -0.36 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.34 2kgo s PRO 51 CO 0.30 -2.19 1.95 0.54 0.04 0.00 0.00 177.00 177.64 2kgo n ARG 52 N -3.57 3.23 0.00 4.56 5.12 -1.26 -2.97 116.66 121.77 2kgo n ARG 52 Ca 0.15 -3.15 0.00 0.00 -1.93 0.00 0.00 57.85 52.91 2kgo n ARG 52 Cb 0.60 -3.16 0.00 0.00 -1.16 0.00 0.00 32.46 28.73 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 3.81 0.01 2.29 -0.13 0.00 -1.26 -5.15 105.19 104.77 2kgo n GLY 53 Ca 0.46 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.36 2kgo n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kgo n GLU 54 N -0.29 0.75 -2.05 1.61 -0.58 -1.16 -4.53 120.64 114.40 2kgo n GLU 54 Ca 0.00 -1.83 -0.39 0.00 -0.42 0.00 0.00 57.16 54.52 2kgo n GLU 54 Cb 0.00 -0.15 -0.00 0.00 -0.57 0.00 0.00 31.44 30.72 2kgo n GLU 54 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2kgo s SER 55 N -3.12 6.21 0.32 1.62 0.01 -1.26 -4.40 113.70 113.09 2kgo s SER 55 Ca 0.36 2.63 0.01 0.00 1.31 0.00 0.00 55.95 60.26 2kgo s SER 55 Cb -0.03 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.56 2kgo s SER 55 CO 0.23 -0.92 0.05 0.00 0.41 0.00 0.00 173.24 173.01 2kgo n LEU 56 N -0.03 0.00 -0.00 2.44 -0.00 -1.16 -4.91 117.00 113.34 2kgo n LEU 56 Ca 0.05 -2.22 0.05 0.00 -0.00 0.00 0.00 56.01 53.88 2kgo n LEU 56 Cb 0.44 0.49 -0.06 0.00 -0.00 0.00 0.00 43.42 44.29 2kgo n LEU 56 CO 0.55 -0.33 -0.10 0.47 -0.00 0.00 0.00 177.39 177.97 2kgo n ASP 57 N -1.45 0.76 -3.84 1.45 9.92 -1.26 -4.76 116.55 117.38 2kgo n ASP 57 Ca -0.09 -0.65 -0.29 0.00 -0.53 0.00 0.00 54.79 53.23 2kgo n ASP 57 Cb 0.44 1.06 -0.16 0.00 -0.64 0.00 0.00 41.12 41.83 2kgo n ASP 57 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kgo s GLU 58 N -2.08 1.13 -0.24 -1.24 8.01 -1.26 -1.50 118.70 121.52 2kgo s GLU 58 Ca 0.03 -0.87 -0.36 0.00 0.01 0.00 0.00 54.97 53.78 2kgo s GLU 58 Cb 0.08 -2.35 -0.12 0.00 -4.31 0.00 0.00 34.13 27.42 2kgo s GLU 58 CO 0.43 -0.71 1.98 0.00 0.01 0.00 0.00 175.26 176.96 2kgo n GLU 60 N 7.00 0.33 -0.06 0.00 0.28 -0.57 -0.10 120.64 127.51 2kgo n GLU 60 Ca 0.31 0.08 -0.02 0.00 -0.16 0.00 0.00 57.16 57.36 2kgo n GLU 60 Cb 0.24 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.60 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 -1.89 -3.44 114.58 117.08 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 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2kgo h GLU 61 CO 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.85 2kgo n GLY 63 N -0.27 -0.32 3.77 0.00 0.00 0.85 -4.99 105.19 104.23 2kgo n GLY 63 Ca 0.00 0.00 -0.38 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 -2.84 3.31 -0.15 4.61 0.00 -1.25 -4.65 121.76 120.78 2kgo s ALA 64 Ca 0.00 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 2kgo s ALA 64 Cb 0.00 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 2kgo s ALA 64 CO 0.00 0.21 2.10 -2.30 0.00 0.00 0.00 175.76 175.78 2kgo n PRO 65 N 1.09 2.11 -2.28 0.00 -0.02 -1.26 -1.65 135.00 132.99 2kgo n PRO 65 Ca -0.01 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2kgo n PRO 65 Cb 0.49 -2.98 -0.03 0.00 -0.02 0.00 0.00 33.50 30.96 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 6.54 3.88 0.51 4.25 -1.09 -0.56 -4.90 121.20 129.83 2kgo s ILE 66 Ca 0.98 1.21 -0.17 0.00 -2.23 0.00 0.00 60.65 60.44 2kgo s ILE 66 Cb -0.49 -3.78 -0.08 0.00 -1.58 0.00 0.00 42.46 36.53 2kgo s ILE 66 CO 0.42 -0.03 0.99 -2.16 -1.23 0.00 0.00 174.94 172.93 2kgo s PRO 67 N 2.67 3.89 0.22 2.79 0.04 -1.26 -4.83 135.00 138.51 2kgo s PRO 67 Ca 0.62 1.04 0.20 0.00 0.04 0.00 0.00 61.00 62.90 2kgo s PRO 67 Cb -0.29 -2.12 0.90 0.00 0.04 0.00 0.00 34.50 33.03 2kgo s PRO 67 CO 0.24 -0.32 1.61 0.00 0.04 0.00 0.00 177.00 178.57 2kgo n GLN 68 N -1.47 0.14 -0.20 4.56 10.64 -1.26 -1.99 117.38 127.80 2kgo n GLN 68 Ca 0.07 0.45 -0.06 0.00 -1.83 0.00 0.00 57.00 55.63 2kgo n GLN 68 Cb 0.54 -1.81 0.09 0.00 -0.86 0.00 0.00 30.24 28.19 2kgo n GLN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kgo h ALA 69 N 2.22 1.00 -0.03 2.61 0.00 -1.99 -0.42 119.26 122.65 2kgo h ALA 69 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 2kgo h ALA 69 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2kgo h ALA 69 CO 0.00 0.64 -0.73 0.00 0.00 0.00 0.00 179.25 179.16 2kgo h ARG 70 N 0.96 0.17 -0.13 0.00 2.47 -1.77 -2.55 114.38 113.52 2kgo h ARG 70 Ca 0.19 -0.14 -0.19 0.00 -1.26 0.00 0.00 59.98 58.58 2kgo h ARG 70 Cb 0.41 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2kgo h ARG 70 CO 0.01 0.82 -0.70 0.00 0.56 0.00 0.00 179.97 180.66 2kgo h ARG 71 N 0.11 0.55 0.19 0.04 3.08 -1.28 -0.55 114.38 116.52 2kgo h ARG 71 Ca -0.02 -0.42 -0.34 0.00 0.07 0.00 0.00 59.98 59.27 2kgo h ARG 71 Cb 1.29 0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.43 2kgo h ARG 71 CO 0.11 1.04 -1.66 1.05 -1.07 0.00 0.00 179.97 179.44 2kgo h GLU 72 N 0.39 0.41 -0.10 0.04 4.11 -1.19 -3.21 114.58 115.02 2kgo h GLU 72 Ca -0.03 -0.70 -0.20 0.00 0.07 0.00 0.00 59.36 58.51 2kgo h GLU 72 Cb 1.28 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 2kgo h GLU 72 CO 0.13 1.34 -0.75 0.00 0.07 0.00 0.00 179.01 179.79 2kgo h ALA 73 N 0.10 0.51 -3.22 1.06 0.00 -1.56 -3.38 119.26 112.76 2kgo h ALA 73 Ca -0.32 -0.61 -0.63 0.00 0.00 0.00 0.00 54.91 53.35 2kgo h ALA 73 Cb 2.08 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 19.41 2kgo h ALA 73 CO 0.19 0.74 -0.64 0.42 0.00 0.00 0.00 179.25 179.95 2kgo s ILE 74 N -3.64 2.39 -0.57 0.00 1.01 -0.22 -5.07 121.20 115.11 2kgo s ILE 74 Ca -0.07 -3.38 -0.26 0.00 0.00 0.00 0.00 60.65 56.93 2kgo s ILE 74 Cb 0.10 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2kgo s ILE 74 CO 0.86 -0.87 2.08 -2.16 0.00 0.00 0.00 174.94 174.85 2kgo s PRO 75 N -0.43 2.41 0.00 2.79 0.04 -1.21 -2.40 135.00 136.19 2kgo s PRO 75 Ca 0.19 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2kgo s PRO 75 Cb -0.20 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2kgo s PRO 75 CO -0.04 -2.97 0.00 0.41 0.04 0.00 0.00 177.00 174.44 2kgo n GLY 76 N 5.83 0.94 3.78 0.56 0.00 -1.26 -4.83 105.19 110.21 2kgo n GLY 76 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.59 4.37 0.00 1.61 0.11 -1.01 -4.75 120.40 119.14 2kgo s VAL 77 Ca 0.00 1.67 0.00 0.00 -2.93 0.00 0.00 61.98 60.72 2kgo s VAL 77 Cb 0.00 -4.10 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 2kgo s VAL 77 CO 0.00 0.45 0.00 0.54 -3.33 0.00 0.00 175.10 172.76 2kgo n ARG 78 N 1.40 2.25 -5.08 1.54 3.00 -1.26 -2.98 116.66 115.53 2kgo n ARG 78 Ca -0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.49 2kgo n ARG 78 Cb 0.49 -0.80 -0.17 0.00 0.00 0.00 0.00 32.46 31.98 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 -2.40 1.99 0.76 0.55 1.43 -1.26 -1.51 118.68 118.24 2kgo s LEU 79 Ca 0.00 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 2kgo s LEU 79 Cb 0.00 -1.25 0.06 0.00 0.03 0.00 0.00 46.19 45.02 2kgo s LEU 79 CO 0.00 0.16 1.14 0.00 0.23 0.00 0.00 176.35 177.88 2kgo h ILE 81 N -0.79 0.32 0.09 0.00 2.10 -1.97 0.18 117.51 117.44 2kgo h ILE 81 Ca -0.45 0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.35 2kgo h ILE 81 Cb 1.26 0.61 0.02 0.00 -1.09 0.00 0.00 36.82 37.61 2kgo h ILE 81 CO 0.50 0.00 -0.59 0.45 -1.08 0.00 0.00 178.15 177.42 2kgo h HIS 82 N 0.00 0.42 0.00 2.19 3.86 -2.01 -2.87 115.15 116.75 2kgo h HIS 82 Ca 0.19 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2kgo h HIS 82 Cb 1.15 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2kgo h HIS 82 CO 0.00 1.21 0.00 0.00 0.86 0.00 0.00 177.93 180.00 2kgo h GLN 84 N 0.00 0.10 -0.44 0.00 -0.00 -0.86 -3.23 115.11 110.68 2kgo h GLN 84 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2kgo h GLN 84 Cb 0.86 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.35 2kgo h GLN 84 CO 0.00 0.92 0.28 -0.56 0.00 0.00 0.00 178.83 179.47 2kgo h GLN 85 N -0.68 0.58 -0.41 1.69 3.07 -1.61 0.13 115.11 117.89 2kgo h GLN 85 Ca -0.02 -0.04 -0.14 0.00 0.09 0.00 0.00 58.65 58.54 2kgo h GLN 85 Cb 0.99 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.41 2kgo h GLN 85 CO 0.03 0.39 -0.30 1.05 0.09 0.00 0.00 178.83 180.09 2kgo h GLU 86 N 0.60 0.89 0.00 0.06 4.11 -1.68 -2.34 114.58 116.21 2kgo h GLU 86 Ca 0.16 -0.42 -0.07 0.00 0.07 0.00 0.00 59.36 59.10 2kgo h GLU 86 Cb -0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2kgo h GLU 86 CO -0.03 1.07 -0.35 0.87 0.07 0.00 0.00 179.01 180.63 2kgo h LYS 87 N 0.75 0.00 0.00 1.06 1.79 -1.37 -3.03 116.57 115.78 2kgo h LYS 87 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2kgo h LYS 87 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2kgo h LYS 87 CO 0.08 0.35 0.00 0.22 -1.08 0.00 0.00 179.45 179.02 2kgo h ASP 88 N 0.00 0.00 0.83 0.86 3.58 -0.50 -2.64 116.42 118.55 2kgo h ASP 88 Ca -0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2kgo h ASP 88 Cb 0.97 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 2kgo h ASP 88 CO 0.05 0.00 -0.22 -0.07 -2.88 0.00 0.00 179.24 176.12 2kgo h LEU 89 N 0.00 0.00 -0.77 2.28 3.38 -1.29 -3.19 115.31 115.71 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 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2kgo h LEU 89 CO 0.00 0.22 -0.09 0.00 0.09 0.00 0.00 178.44 178.65 2kgo n GLN 90 N -3.43 1.35 -1.81 1.13 1.13 -1.00 -4.88 117.38 109.86 2kgo n GLN 90 Ca -0.00 -0.77 -0.42 0.00 -1.94 0.00 0.00 57.00 53.86 2kgo n GLN 90 Cb 0.40 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.24 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 -2.19 4.08 0.54 -1.09 -0.14 -1.21 -4.90 119.74 114.82 2kgo s LYS 91 Ca 0.33 2.37 0.32 0.00 -1.36 0.00 0.00 55.97 57.64 2kgo s LYS 91 Cb 0.20 -4.11 1.24 0.00 -1.68 0.00 0.00 37.83 33.49 2kgo s LYS 91 CO 0.40 -1.00 1.94 -1.00 -0.76 0.00 0.00 175.35 174.93 2kgo h PRO 92 N 10.49 0.00 -0.63 -1.68 0.13 -1.93 -3.47 132.00 134.91 2kgo h PRO 92 Ca -0.44 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.41 2kgo h PRO 92 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2kgo h PRO 92 CO 0.95 0.01 -0.25 0.00 -0.23 0.00 0.00 178.00 178.48 2kgo n ALA 93 N -2.10 -0.20 -3.23 -0.56 0.00 -1.26 -4.99 120.51 108.18 2kgo n ALA 93 Ca 0.01 0.22 -0.09 0.00 0.00 0.00 0.00 53.44 53.58 2kgo n ALA 93 Cb 0.33 -1.54 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.44 0.33 -0.01 0.00 -0.85 -1.26 -5.07 117.35 108.05 2kgo s TYR 94 Ca 0.00 -0.70 0.00 0.00 -0.52 0.00 0.00 57.07 55.85 2kgo s TYR 94 Cb 0.00 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.57 2kgo s TYR 94 CO 0.00 -1.01 0.55 0.25 -1.52 0.00 0.00 175.55 173.81 2kgo n THR 95 N -0.39 0.08 0.00 -3.49 -2.24 -1.26 -4.99 114.28 101.99 2kgo n THR 95 Ca -0.02 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2kgo n THR 95 Cb 0.62 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.03 2.81 3.61 3.38 0.00 -1.26 -5.07 105.19 108.62 2kgo n GLY 96 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.49 2.20 -1.88 1.61 1.13 -1.26 -5.06 117.35 111.61 2kgo s TYR 97 Ca 0.00 -0.84 0.05 0.00 -1.41 0.00 0.00 57.07 54.87 2kgo s TYR 97 Cb 0.00 -1.59 0.15 0.00 -1.10 0.00 0.00 41.96 39.42 2kgo s TYR 97 CO 0.00 0.25 1.09 0.27 -2.51 0.00 0.00 175.55 174.65 2kgo n ASN 98 N -1.00 1.02 -4.55 -0.18 0.23 -1.26 -4.82 115.26 104.69 2kgo n ASN 98 Ca -0.08 -2.02 -0.36 0.00 -0.53 0.00 0.00 54.58 51.59 2kgo n ASN 98 Cb 0.67 -0.16 -0.03 0.00 -2.08 0.00 0.00 39.78 38.18 2kgo n ASN 98 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2kgo s ARG 99 N -1.74 2.63 -0.44 -3.83 0.52 -1.26 -4.81 118.95 110.03 2kgo s ARG 99 Ca 0.11 0.38 0.09 0.00 -0.52 0.00 0.00 55.73 55.79 2kgo s ARG 99 Cb 0.06 -4.54 0.40 0.00 0.52 0.00 0.00 34.95 31.39 2kgo s ARG 99 CO 0.07 -2.85 0.98 -2.13 0.02 0.00 0.00 175.30 171.39 2kgo n ARG 100 N 9.12 2.58 0.08 3.54 3.00 -1.26 -4.76 116.66 128.96 2kgo n ARG 100 Ca 0.24 -4.19 0.03 0.00 -0.00 0.00 0.00 57.85 53.93 2kgo n ARG 100 Cb 0.51 -1.97 -0.03 0.00 0.00 0.00 0.00 32.46 30.97 2kgo n ARG 100 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2kgo h GLY 101 N 2.83 0.00 -6.06 5.14 0.00 -2.02 -3.45 103.07 99.51 2kgo h GLY 101 Ca 0.15 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.91 2kgo h GLY 101 CO 0.72 0.00 0.93 -1.35 0.00 0.00 0.00 176.54 176.85 2kgo s SER 102 N -5.93 6.72 -0.32 0.19 1.04 -1.26 -4.34 113.70 109.79 2kgo s SER 102 Ca -0.00 1.00 -0.11 0.00 0.48 0.00 0.00 55.95 57.32 2kgo s SER 102 Cb 0.08 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.67 2kgo s SER 102 CO 0.78 -1.08 0.43 1.17 0.98 0.00 0.00 173.24 175.52 2kgo n LYS 103 N 7.33 -1.88 -2.06 4.02 3.00 -1.26 -4.86 118.16 122.46 2kgo n LYS 103 Ca 0.14 1.77 -0.27 0.00 -0.00 0.00 0.00 58.31 59.95 2kgo n LYS 103 Cb 0.47 -4.67 -0.05 0.00 0.00 0.00 0.00 35.03 30.78 2kgo n LYS 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kgo s ASP 104 N -2.17 5.13 -0.59 3.14 1.11 -1.26 -4.77 116.67 117.27 2kgo s ASP 104 Ca 0.18 -0.92 0.02 0.00 0.18 0.00 0.00 52.55 52.01 2kgo s ASP 104 Cb -0.05 -2.57 0.41 0.00 1.07 0.00 0.00 42.92 41.78 2kgo s ASP 104 CO 0.59 -2.81 1.55 -0.24 1.18 0.00 0.00 175.17 175.44 2kgo n SER 105 N 14.01 6.07 -4.80 0.27 2.88 -1.26 -5.06 113.62 125.73 2kgo n SER 105 Ca 0.41 -3.77 -0.30 0.00 -1.33 0.00 0.00 58.87 53.88 2kgo n SER 105 Cb 0.47 -0.71 0.09 0.00 -0.75 0.00 0.00 64.21 63.30 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 -3.77 2.16 0.58 -1.46 -0.21 -1.26 -4.94 119.66 110.76 2kgo s GLN 106 Ca 0.52 0.71 0.28 0.00 0.02 0.00 0.00 55.36 56.89 2kgo s GLN 106 Cb 0.43 -1.92 1.62 0.00 1.00 0.00 0.00 33.01 34.14 2kgo s GLN 106 CO -0.21 -1.58 2.09 1.37 -2.12 0.00 0.00 175.29 174.83 2kgo h LEU 107 N -1.06 0.00 -0.55 2.90 -0.00 -2.04 -3.57 115.31 111.00 2kgo h LEU 107 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2kgo h LEU 107 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 2kgo h LEU 107 CO 0.58 0.00 0.00 0.54 -0.00 0.00 0.00 178.44 179.56