#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkf h ALA 28 N 0.00 1.86 0.00 4.61 0.00 -1.93 -2.84 119.26 120.95 3kkf h ALA 28 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kkf h ALA 28 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kkf h ALA 28 CO 0.00 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.57 3kkf n GLU 29 N -4.53 0.15 -0.11 0.00 -0.58 -1.26 -3.03 120.64 111.28 3kkf n GLU 29 Ca 0.16 0.28 0.05 0.00 -0.42 0.00 0.00 57.16 57.23 3kkf n GLU 29 Cb 0.44 -1.74 0.08 0.00 -0.57 0.00 0.00 31.44 29.65 3kkf n GLU 29 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3kkf n ASN 30 N -2.02 1.80 -0.41 1.62 6.94 -1.08 -5.17 115.26 116.93 3kkf n ASN 30 Ca 0.04 -2.54 0.00 0.00 -0.02 0.00 0.00 54.58 52.06 3kkf n ASN 30 Cb 0.29 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 3kkf n ASN 30 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3kkf n ASN 31 N -0.92 0.00 0.00 0.53 3.02 -1.17 -4.41 115.26 112.32 3kkf n ASN 31 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3kkf n ASN 31 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 3kkf n ASN 31 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kkf n VAL 33 N 0.00 0.00 -3.82 2.41 0.31 -1.26 -4.94 118.33 111.03 3kkf n VAL 33 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3kkf n VAL 33 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 3kkf n VAL 33 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3kkf s ARG 34 N -0.06 0.54 -0.18 5.55 3.52 -0.47 -1.81 118.95 126.04 3kkf s ARG 34 Ca 0.00 -0.25 -0.05 0.00 -0.13 0.00 0.00 55.73 55.31 3kkf s ARG 34 Cb 0.00 0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 3kkf s ARG 34 CO 0.00 -0.13 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.83 3kkf s LEU 35 N -1.22 3.26 -0.22 -0.88 1.43 -0.40 -0.70 118.68 119.93 3kkf s LEU 35 Ca -0.13 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 3kkf s LEU 35 Cb -0.06 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3kkf s LEU 35 CO 0.03 0.10 0.12 -0.44 0.23 0.00 0.00 176.35 176.39 3kkf s SER 36 N 0.76 5.86 -0.19 2.29 0.01 -0.48 -0.59 113.70 121.36 3kkf s SER 36 Ca -0.00 0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.29 3kkf s SER 36 Cb -0.14 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 3kkf s SER 36 CO 0.02 0.08 -0.07 -0.13 0.41 0.00 0.00 173.24 173.55 3kkf s ARG 37 N 0.93 3.37 -0.01 12.44 0.52 -0.24 -0.59 118.95 135.38 3kkf s ARG 37 Ca 0.06 -0.65 0.06 0.00 -0.52 0.00 0.00 55.73 54.68 3kkf s ARG 37 Cb -0.13 -2.88 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 3kkf s ARG 37 CO 0.03 -0.07 -0.18 0.42 0.02 0.00 0.00 175.30 175.52 3kkf s ILE 38 N 1.12 1.46 -0.18 1.52 1.01 0.57 -0.48 121.20 126.22 3kkf s ILE 38 Ca 0.01 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3kkf s ILE 38 Cb -0.15 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.12 3kkf s ILE 38 CO -0.01 0.40 -0.15 -0.63 0.00 0.00 0.00 174.94 174.55 3kkf s ILE 39 N -0.44 2.54 -0.08 2.92 1.01 -1.26 -1.31 121.20 124.57 3kkf s ILE 39 Ca 0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 3kkf s ILE 39 Cb -0.07 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3kkf s ILE 39 CO -0.01 0.51 0.10 -0.63 0.00 0.00 0.00 174.94 174.91 3kkf s ILE 40 N 1.15 5.06 -0.14 2.92 -1.09 -0.16 -0.46 121.20 128.48 3kkf s ILE 40 Ca 0.01 -0.05 -0.36 0.00 -2.23 0.00 0.00 60.65 58.03 3kkf s ILE 40 Cb -0.14 -3.22 -0.13 0.00 -1.58 0.00 0.00 42.46 37.39 3kkf s ILE 40 CO -0.06 0.54 1.86 -0.67 -1.23 0.00 0.00 174.94 175.38 3kkf n ASP 41 N 1.79 3.21 -0.09 3.58 2.03 -1.26 -4.84 116.55 120.96 3kkf n ASP 41 Ca -0.18 0.98 0.18 0.00 0.52 0.00 0.00 54.79 56.30 3kkf n ASP 41 Cb 0.54 -1.32 0.60 0.00 -0.72 0.00 0.00 41.12 40.22 3kkf n ASP 41 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kkf h PRO 42 N 8.87 0.20 0.00 -0.67 0.11 -1.97 -0.56 132.00 137.99 3kkf h PRO 42 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kkf h PRO 42 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kkf h PRO 42 CO 0.95 0.13 0.00 0.39 -0.21 0.00 0.00 178.00 179.27 3kkf n GLU 43 N -4.42 0.08 -0.17 1.05 4.71 -1.26 -2.88 120.64 117.75 3kkf n GLU 43 Ca 0.12 0.23 0.05 0.00 -0.01 0.00 0.00 57.16 57.56 3kkf n GLU 43 Cb 0.58 -1.63 0.14 0.00 -1.01 0.00 0.00 31.44 29.53 3kkf n GLU 43 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3kkf n ARG 44 N -1.77 2.88 -0.29 3.49 5.12 -0.23 -4.79 116.66 121.07 3kkf n ARG 44 Ca 0.04 -2.03 -0.05 0.00 -1.93 0.00 0.00 57.85 53.89 3kkf n ARG 44 Cb 0.25 -1.27 0.07 0.00 -1.16 0.00 0.00 32.46 30.35 3kkf n ARG 44 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3kkf h LEU 45 N 1.72 0.98 -0.35 0.55 5.85 -1.46 -0.69 115.31 121.92 3kkf h LEU 45 Ca 0.00 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3kkf h LEU 45 Cb 0.75 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3kkf h LEU 45 CO 0.01 0.79 0.15 -0.33 -0.34 0.00 0.00 178.44 178.72 3kkf h GLU 46 N 1.10 0.51 -0.60 1.25 4.39 -1.86 -0.51 114.58 118.86 3kkf h GLU 46 Ca 0.28 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.81 3kkf h GLU 46 Cb 0.01 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3kkf h GLU 46 CO -0.05 0.49 0.04 0.93 -1.16 0.00 0.00 179.01 179.27 3kkf h GLU 47 N 0.41 1.04 -0.10 2.33 3.07 -1.85 -1.92 114.58 117.57 3kkf h GLU 47 Ca 0.12 -0.31 0.02 0.00 -0.50 0.00 0.00 59.36 58.68 3kkf h GLU 47 Cb 0.17 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3kkf h GLU 47 CO -0.01 1.00 -0.00 -0.92 -1.40 0.00 0.00 179.01 177.68 3kkf h TYR 48 N 0.94 -0.01 -0.69 4.33 3.20 -0.88 -2.09 116.97 121.77 3kkf h TYR 48 Ca 0.18 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 3kkf h TYR 48 Cb 0.50 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 3kkf h TYR 48 CO 0.04 -0.01 0.43 -0.91 -1.64 0.00 0.00 178.16 176.06 3kkf h ASN 49 N 0.03 0.81 -0.23 -2.11 2.35 -0.96 0.45 115.58 115.92 3kkf h ASN 49 Ca 0.04 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kkf h ASN 49 Cb 0.05 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3kkf h ASN 49 CO -0.08 0.61 0.13 0.00 -1.65 0.00 0.00 177.43 176.45 3kkf h ALA 50 N 1.53 0.29 -0.32 -0.83 0.00 -0.98 0.20 119.26 119.16 3kkf h ALA 50 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3kkf h ALA 50 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kkf h ALA 50 CO -0.05 -0.18 0.13 1.88 0.00 0.00 0.00 179.25 181.03 3kkf h TYR 51 N 0.26 0.47 -0.19 0.00 0.05 -0.81 -2.74 116.97 114.03 3kkf h TYR 51 Ca 0.08 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3kkf h TYR 51 Cb 0.05 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 3kkf h TYR 51 CO -0.04 0.44 0.06 1.25 -1.05 0.00 0.00 178.16 178.82 3kkf h LEU 52 N 0.37 0.27 -0.55 3.88 5.85 -0.78 -1.77 115.31 122.58 3kkf h LEU 52 Ca 0.11 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3kkf h LEU 52 Cb 0.16 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3kkf h LEU 52 CO -0.01 0.40 0.32 0.50 -0.34 0.00 0.00 178.44 179.31 3kkf h LYS 53 N 0.13 0.76 -0.41 1.25 3.64 -1.00 -0.66 116.57 120.29 3kkf h LYS 53 Ca 0.06 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3kkf h LYS 53 Cb 0.22 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3kkf h LYS 53 CO -0.00 0.56 0.26 1.49 -2.27 0.00 0.00 179.45 179.49 3kkf h GLU 54 N 0.74 0.54 -0.62 1.90 4.81 -1.45 -0.99 114.58 119.52 3kkf h GLU 54 Ca 0.20 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3kkf h GLU 54 Cb 0.01 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3kkf h GLU 54 CO -0.03 0.38 0.38 1.49 -0.73 0.00 0.00 179.01 180.50 3kkf h GLU 55 N 0.54 0.85 -0.31 1.92 4.22 -0.86 -0.65 114.58 120.29 3kkf h GLU 55 Ca 0.15 -0.08 -0.05 0.00 0.08 0.00 0.00 59.36 59.46 3kkf h GLU 55 Cb -0.03 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3kkf h GLU 55 CO -0.03 0.60 0.01 0.82 -2.18 0.00 0.00 179.01 178.23 3kkf h ILE 56 N 0.85 1.25 -0.47 2.32 2.04 -0.97 -0.94 117.51 121.59 3kkf h ILE 56 Ca 0.22 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3kkf h ILE 56 Cb -0.03 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3kkf h ILE 56 CO -0.04 0.30 0.30 -0.33 0.00 0.00 0.00 178.15 178.38 3kkf h GLU 57 N 0.35 0.59 -0.50 2.37 5.08 -0.86 -2.70 114.58 118.91 3kkf h GLU 57 Ca 0.09 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3kkf h GLU 57 Cb 0.42 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3kkf h GLU 57 CO 0.01 0.39 0.09 0.28 -1.00 0.00 0.00 179.01 178.79 3kkf h VAL 58 N 0.61 1.25 0.00 3.13 2.07 -1.05 -1.80 116.25 120.46 3kkf h VAL 58 Ca 0.18 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3kkf h VAL 58 Cb -0.04 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3kkf h VAL 58 CO -0.05 0.33 0.00 -1.20 0.02 0.00 0.00 177.57 176.66 3kkf n SER 59 N -4.42 0.19 0.00 0.57 7.64 -0.37 -0.82 113.62 116.41 3kkf n SER 59 Ca 0.01 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.68 3kkf n SER 59 Cb 0.25 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3kkf n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kkf n ARG 61 N 0.65 0.00 -0.04 1.43 1.74 -0.68 -1.29 116.66 118.47 3kkf n ARG 61 Ca 0.00 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 3kkf n ARG 61 Cb 0.04 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.32 3kkf n ARG 61 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kkf n LEU 62 N 0.00 0.06 -4.20 0.55 4.77 0.00 -4.92 117.00 113.25 3kkf n LEU 62 Ca 0.00 0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.63 3kkf n LEU 62 Cb 0.00 0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.18 3kkf n LEU 62 CO 0.00 0.21 -0.23 -1.61 -1.33 0.00 0.00 177.39 174.43 3kkf s GLU 63 N -3.06 2.40 0.55 3.23 2.02 -0.41 -4.97 118.70 118.46 3kkf s GLU 63 Ca -0.08 -1.43 0.26 0.00 0.02 0.00 0.00 54.97 53.73 3kkf s GLU 63 Cb 0.10 -3.48 1.59 0.00 0.10 0.00 0.00 34.13 32.44 3kkf s GLU 63 CO 0.87 -0.82 2.18 -1.35 0.02 0.00 0.00 175.26 176.16 3kkf h PRO 64 N 8.15 0.00 -0.00 0.39 0.11 -1.91 -2.16 132.00 136.58 3kkf h PRO 64 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3kkf h PRO 64 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kkf h PRO 64 CO 0.64 0.04 -0.02 0.41 -0.21 0.00 0.00 178.00 178.86 3kkf n GLY 65 N -1.18 -1.46 3.49 -0.55 0.00 -1.26 -4.55 105.19 99.68 3kkf n GLY 65 Ca -0.03 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3kkf n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kkf s VAL 66 N -2.94 4.75 -0.06 1.61 1.01 -0.81 -0.44 120.40 123.51 3kkf s VAL 66 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 3kkf s VAL 66 Cb 0.19 -4.32 -0.29 0.00 0.00 0.00 0.00 36.38 31.96 3kkf s VAL 66 CO 0.53 -0.81 0.62 -0.07 0.00 0.00 0.00 175.10 175.37 3kkf h LEU 67 N 9.99 0.51 -7.02 3.92 3.38 -1.18 -3.48 115.31 121.43 3kkf h LEU 67 Ca -0.26 -0.84 -0.06 0.00 0.09 0.00 0.00 57.88 56.80 3kkf h LEU 67 Cb 1.09 -0.17 -0.19 0.00 0.09 0.00 0.00 40.66 41.48 3kkf h LEU 67 CO 0.97 1.73 0.16 0.54 0.09 0.00 0.00 178.44 181.92 3kkf s VAL 68 N -2.58 0.00 -0.40 1.22 0.11 -0.89 -4.97 120.40 112.89 3kkf s VAL 68 Ca -0.16 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 3kkf s VAL 68 Cb 0.06 -0.98 0.13 0.00 -1.53 0.00 0.00 36.38 34.06 3kkf s VAL 68 CO 0.83 -0.01 0.20 -0.76 -3.33 0.00 0.00 175.10 172.04 3kkf s LEU 69 N -0.87 2.48 -0.59 2.54 1.43 -1.25 -1.07 118.68 121.35 3kkf s LEU 69 Ca -0.09 -2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 50.52 3kkf s LEU 69 Cb -0.01 -0.95 0.15 0.00 0.03 0.00 0.00 46.19 45.40 3kkf s LEU 69 CO 0.08 -0.30 0.49 -0.47 0.23 0.00 0.00 176.35 176.38 3kkf s TYR 70 N 0.68 3.45 -0.04 0.29 5.04 -0.04 -4.95 117.35 121.79 3kkf s TYR 70 Ca 0.16 -1.83 -0.15 0.00 -2.44 0.00 0.00 57.07 52.81 3kkf s TYR 70 Cb -0.23 -3.63 -0.05 0.00 0.35 0.00 0.00 41.96 38.40 3kkf s TYR 70 CO -0.05 -0.98 0.39 0.00 -1.34 0.00 0.00 175.55 173.57 3kkf s ALA 71 N 1.00 3.67 0.05 3.97 0.00 -1.26 -1.21 121.76 127.97 3kkf s ALA 71 Ca 0.09 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.83 3kkf s ALA 71 Cb -0.23 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 3kkf s ALA 71 CO -0.02 0.38 -0.10 0.14 0.00 0.00 0.00 175.76 176.16 3kkf s VAL 72 N -0.69 0.77 -0.10 0.00 -7.23 0.05 -5.00 120.40 108.21 3kkf s VAL 72 Ca 0.23 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 3kkf s VAL 72 Cb -0.16 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 3kkf s VAL 72 CO 0.12 -0.24 -0.04 0.00 -0.31 0.00 0.00 175.10 174.63 3kkf s ALA 73 N -1.16 3.08 0.14 1.32 0.00 -1.26 -1.16 121.76 122.71 3kkf s ALA 73 Ca -0.05 -0.84 -0.31 0.00 0.00 0.00 0.00 51.96 50.76 3kkf s ALA 73 Cb -0.09 -1.41 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 3kkf s ALA 73 CO 0.01 0.46 1.48 -1.21 0.00 0.00 0.00 175.76 176.50 3kkf s GLU 74 N -0.46 4.27 0.34 0.00 2.02 -0.57 -4.91 118.70 119.38 3kkf s GLU 74 Ca 0.07 2.22 0.04 0.00 0.02 0.00 0.00 54.97 57.32 3kkf s GLU 74 Cb -0.12 -3.20 0.60 0.00 0.10 0.00 0.00 34.13 31.51 3kkf s GLU 74 CO 0.02 -0.52 1.89 0.87 0.02 0.00 0.00 175.26 177.54 3kkf h LYS 75 N 6.77 0.58 0.00 1.61 1.57 -1.96 -2.18 116.57 122.95 3kkf h LYS 75 Ca -0.42 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.17 3kkf h LYS 75 Cb 1.21 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3kkf h LYS 75 CO 0.89 0.56 -0.38 1.49 -0.57 0.00 0.00 179.45 181.44 3kkf h GLU 76 N 0.56 0.00 -2.09 3.15 4.57 -1.99 -3.39 114.58 115.39 3kkf h GLU 76 Ca 0.13 0.00 -0.51 0.00 -1.18 0.00 0.00 59.36 57.80 3kkf h GLU 76 Cb 0.27 0.00 -0.34 0.00 -0.16 0.00 0.00 28.75 28.52 3kkf h GLU 76 CO 0.00 0.38 -0.89 0.54 -1.18 0.00 0.00 179.01 177.86 3kkf n ARG 77 N -3.25 0.26 0.19 1.92 1.74 -0.98 -5.02 116.66 111.52 3kkf n ARG 77 Ca 0.02 -2.95 0.13 0.00 -0.77 0.00 0.00 57.85 54.28 3kkf n ARG 77 Cb 0.64 -1.62 0.67 0.00 -1.02 0.00 0.00 32.46 31.13 3kkf n ARG 77 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3kkf h PRO 78 N 5.46 0.00 -0.07 5.56 0.13 -1.62 -0.15 132.00 141.31 3kkf h PRO 78 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3kkf h PRO 78 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3kkf h PRO 78 CO 0.31 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.35 3kkf n ASN 79 N -2.43 0.97 -4.38 1.44 6.94 -1.26 -4.61 115.26 111.93 3kkf n ASN 79 Ca -0.01 -1.51 -0.42 0.00 -0.02 0.00 0.00 54.58 52.62 3kkf n ASN 79 Cb 0.09 -0.05 -0.10 0.00 -2.36 0.00 0.00 39.78 37.36 3kkf n ASN 79 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 3kkf s HIS 80 N -1.91 3.26 -0.09 -2.53 3.76 -0.07 -0.99 115.29 116.73 3kkf s HIS 80 Ca 0.34 -0.95 0.02 0.00 -0.15 0.00 0.00 55.06 54.31 3kkf s HIS 80 Cb 0.17 -2.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.16 3kkf s HIS 80 CO 0.27 -0.69 -0.15 0.08 -0.85 0.00 0.00 174.74 173.40 3kkf s VAL 81 N 1.58 2.98 -0.09 -0.90 1.01 -0.43 -1.52 120.40 123.04 3kkf s VAL 81 Ca 0.03 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.33 3kkf s VAL 81 Cb -0.21 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3kkf s VAL 81 CO 0.07 0.56 -0.21 -0.89 0.00 0.00 0.00 175.10 174.63 3kkf s THR 82 N -0.21 2.38 -0.16 3.92 2.01 -0.31 -0.31 115.64 122.96 3kkf s THR 82 Ca 0.00 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.09 3kkf s THR 82 Cb -0.13 -1.92 0.01 0.00 0.01 0.00 0.00 72.50 70.47 3kkf s THR 82 CO 0.03 0.56 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.71 3kkf s ILE 83 N 0.05 2.33 -0.30 1.82 1.01 0.24 -0.77 121.20 125.58 3kkf s ILE 83 Ca -0.08 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.44 3kkf s ILE 83 Cb -0.15 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.35 3kkf s ILE 83 CO 0.05 0.53 0.84 -0.22 0.00 0.00 0.00 174.94 176.15 3kkf s LEU 84 N 0.96 4.06 -0.15 2.97 2.96 -0.35 -1.38 118.68 127.76 3kkf s LEU 84 Ca -0.03 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 54.65 3kkf s LEU 84 Cb -0.15 -3.17 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 3kkf s LEU 84 CO -0.04 -0.65 -0.11 -1.61 -1.32 0.00 0.00 176.35 172.62 3kkf s GLU 85 N 3.06 3.40 -0.13 1.98 2.02 0.12 -0.86 118.70 128.29 3kkf s GLU 85 Ca 0.35 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 3kkf s GLU 85 Cb -0.14 -2.71 0.03 0.00 0.10 0.00 0.00 34.13 31.41 3kkf s GLU 85 CO 0.12 0.14 -0.05 0.42 0.02 0.00 0.00 175.26 175.91 3kkf s ILE 86 N 0.55 0.93 0.08 -1.63 1.01 -0.23 -1.36 121.20 120.55 3kkf s ILE 86 Ca -0.07 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.29 3kkf s ILE 86 Cb -0.15 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 3kkf s ILE 86 CO 0.03 0.24 -0.07 -0.31 0.00 0.00 0.00 174.94 174.84 3kkf s TYR 87 N 1.73 2.82 0.43 3.97 2.02 -1.26 -0.76 117.35 126.30 3kkf s TYR 87 Ca 0.03 -0.11 0.11 0.00 -0.37 0.00 0.00 57.07 56.74 3kkf s TYR 87 Cb -0.14 -1.49 0.97 0.00 -0.40 0.00 0.00 41.96 40.90 3kkf s TYR 87 CO -0.08 0.43 2.01 0.00 -1.57 0.00 0.00 175.55 176.34 3kkf h ALA 88 N 3.75 1.89 -2.36 3.71 0.00 -1.10 -3.41 119.26 121.75 3kkf h ALA 88 Ca -0.48 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 54.61 3kkf h ALA 88 Cb 1.17 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3kkf h ALA 88 CO 0.54 0.02 0.64 0.16 0.00 0.00 0.00 179.25 180.61 3kkf s ASP 89 N -6.43 -0.03 0.39 0.00 1.47 -1.26 -3.87 116.67 106.94 3kkf s ASP 89 Ca -0.08 -0.53 0.13 0.00 1.18 0.00 0.00 52.55 53.26 3kkf s ASP 89 Cb 0.19 0.42 0.79 0.00 -0.34 0.00 0.00 42.92 43.98 3kkf s ASP 89 CO 0.74 -0.82 1.87 -0.33 0.68 0.00 0.00 175.17 177.31 3kkf h GLU 90 N 2.00 0.00 -0.78 2.11 5.08 -1.89 -2.48 114.58 118.62 3kkf h GLU 90 Ca -0.27 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3kkf h GLU 90 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 3kkf h GLU 90 CO 0.33 0.32 0.51 0.00 -1.00 0.00 0.00 179.01 179.18 3kkf h ALA 91 N 1.68 0.99 -0.73 3.43 0.00 -1.99 -0.80 119.26 121.84 3kkf h ALA 91 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kkf h ALA 91 Cb 0.58 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3kkf h ALA 91 CO 0.04 0.41 0.31 0.00 0.00 0.00 0.00 179.25 180.02 3kkf h ALA 92 N 1.28 0.94 -0.21 0.00 0.00 -1.79 -0.82 119.26 118.66 3kkf h ALA 92 Ca 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kkf h ALA 92 Cb -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3kkf h ALA 92 CO -0.06 0.55 0.09 -0.92 0.00 0.00 0.00 179.25 178.91 3kkf h TYR 93 N 1.04 0.31 -0.68 0.00 3.20 -1.15 -0.95 116.97 118.74 3kkf h TYR 93 Ca 0.25 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.14 3kkf h TYR 93 Cb 0.18 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 3kkf h TYR 93 CO 0.01 0.34 0.40 -0.22 -1.64 0.00 0.00 178.16 177.06 3kkf h LYS 94 N 0.20 0.74 -0.45 1.82 3.64 -0.93 -1.95 116.57 119.64 3kkf h LYS 94 Ca 0.07 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3kkf h LYS 94 Cb 0.15 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3kkf h LYS 94 CO -0.01 0.49 0.10 1.03 -2.27 0.00 0.00 179.45 178.80 3kkf h SER 95 N 0.76 0.69 -0.54 4.20 0.87 -1.02 -3.09 113.55 115.42 3kkf h SER 95 Ca 0.29 -0.24 0.08 0.00 -1.23 0.00 0.00 61.79 60.69 3kkf h SER 95 Cb 0.11 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 61.82 3kkf h SER 95 CO -0.15 0.75 0.20 -0.74 -0.53 0.00 0.00 176.83 176.36 3kkf h HIS 96 N 0.59 0.34 0.00 2.24 -0.00 -0.58 -2.01 115.15 115.74 3kkf h HIS 96 Ca 0.14 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 3kkf h HIS 96 Cb 0.33 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 3kkf h HIS 96 CO 0.02 0.10 0.00 0.44 -0.00 0.00 0.00 177.93 178.50 3kkf n ILE 97 N -5.00 0.26 1.13 6.26 -5.35 -0.79 -2.05 119.36 113.82 3kkf n ILE 97 Ca 0.06 0.07 0.12 0.00 -0.27 0.00 0.00 62.75 62.73 3kkf n ILE 97 Cb 0.22 -0.66 0.19 0.00 -1.74 0.00 0.00 39.64 37.65 3kkf n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kkf n ALA 98 N -1.33 3.35 -1.74 -1.28 0.00 -0.77 -4.72 120.51 114.02 3kkf n ALA 98 Ca 0.10 -0.52 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 3kkf n ALA 98 Cb 0.21 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 3kkf n ALA 98 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kkf s THR 99 N -2.51 3.62 0.39 0.00 -4.23 -0.87 -4.91 115.64 107.12 3kkf s THR 99 Ca 0.21 0.93 0.06 0.00 -1.18 0.00 0.00 61.69 61.72 3kkf s THR 99 Cb 0.19 -3.38 0.23 0.00 1.34 0.00 0.00 72.50 70.88 3kkf s THR 99 CO 0.56 -0.29 1.99 -0.65 -0.54 0.00 0.00 174.62 175.69 3kkf h PRO 100 N 1.11 0.52 -0.38 3.99 0.11 -1.94 -1.39 132.00 134.01 3kkf h PRO 100 Ca -0.49 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 3kkf h PRO 100 Cb 1.23 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kkf h PRO 100 CO 0.58 0.42 -0.26 1.12 -0.21 0.00 0.00 178.00 179.65 3kkf h HIS 101 N 0.52 1.00 -0.68 0.65 2.07 -1.93 -0.83 115.15 115.95 3kkf h HIS 101 Ca 0.13 -0.27 -0.02 0.00 -2.85 0.00 0.00 60.37 57.36 3kkf h HIS 101 Cb 0.09 -0.22 -0.03 0.00 2.57 0.00 0.00 27.41 29.81 3kkf h HIS 101 CO 0.00 1.05 0.36 0.35 -3.07 0.00 0.00 177.93 176.62 3kkf h PHE 102 N 0.66 0.95 -0.35 6.12 3.57 -1.74 -2.69 116.94 123.46 3kkf h PHE 102 Ca 0.08 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 3kkf h PHE 102 Cb 0.83 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3kkf h PHE 102 CO 0.06 0.69 -0.12 0.87 -2.23 0.00 0.00 178.31 177.58 3kkf h LYS 103 N 0.94 0.61 -0.30 1.11 1.57 -1.01 0.86 116.57 120.36 3kkf h LYS 103 Ca 0.24 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3kkf h LYS 103 Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3kkf h LYS 103 CO -0.04 0.72 0.14 -0.22 -0.57 0.00 0.00 179.45 179.49 3kkf h LYS 104 N 0.56 0.29 0.05 3.15 3.64 -1.00 -0.36 116.57 122.91 3kkf h LYS 104 Ca 0.10 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3kkf h LYS 104 Cb 0.54 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3kkf h LYS 104 CO 0.03 0.19 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.46 3kkf h TYR 105 N 0.30 -0.07 -0.36 1.91 3.20 -1.12 0.33 116.97 121.17 3kkf h TYR 105 Ca 0.12 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3kkf h TYR 105 Cb 0.05 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3kkf h TYR 105 CO -0.10 0.07 0.19 -0.22 -1.64 0.00 0.00 178.16 176.46 3kkf h LYS 106 N -0.19 0.50 -0.27 1.82 1.63 -0.67 -1.57 116.57 117.82 3kkf h LYS 106 Ca -0.01 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.60 3kkf h LYS 106 Cb 0.16 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3kkf h LYS 106 CO 0.01 0.42 -0.36 0.93 -3.45 0.00 0.00 179.45 177.01 3kkf h GLU 107 N 0.45 0.72 -0.20 1.90 5.08 -1.11 -2.58 114.58 118.85 3kkf h GLU 107 Ca 0.13 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 3kkf h GLU 107 Cb 0.07 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3kkf h GLU 107 CO -0.02 1.03 -0.10 0.78 -1.00 0.00 0.00 179.01 179.70 3kkf h GLY 108 N 0.46 0.33 -1.77 -3.84 0.00 -0.82 -3.14 103.07 94.29 3kkf h GLY 108 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kkf h GLY 108 CO 0.08 0.19 0.00 -1.30 0.00 0.00 0.00 176.54 175.51 3kkf n THR 109 N -4.27 0.29 -0.24 4.70 -2.24 -0.60 -4.67 114.28 107.25 3kkf n THR 109 Ca -0.00 -0.65 -0.01 0.00 -2.27 0.00 0.00 64.05 61.12 3kkf n THR 109 Cb 0.26 1.14 0.05 0.00 -2.10 0.00 0.00 70.33 69.69 3kkf n THR 109 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kkf h LEU 110 N 3.75 -0.88 -3.71 3.22 5.85 -1.41 -3.06 115.31 119.06 3kkf h LEU 110 Ca 0.00 0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 3kkf h LEU 110 Cb 0.84 0.51 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 3kkf h LEU 110 CO 0.00 -0.27 -0.26 0.47 -0.34 0.00 0.00 178.44 178.04 3kkf n ASP 111 N -5.47 5.20 -0.20 1.25 9.92 -1.26 -4.92 116.55 121.06 3kkf n ASP 111 Ca 0.08 -2.44 0.00 0.00 -0.53 0.00 0.00 54.79 51.89 3kkf n ASP 111 Cb 0.37 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 3kkf n ASP 111 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3kkf n VAL 113 N 2.21 0.00 1.27 2.53 0.31 -1.16 -4.95 118.33 118.53 3kkf n VAL 113 Ca 0.30 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.76 3kkf n VAL 113 Cb 0.78 -0.06 0.38 0.00 -0.91 0.00 0.00 33.84 34.03 3kkf n VAL 113 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kkf n GLN 114 N 0.56 1.90 -3.23 5.55 6.02 0.39 -4.94 117.38 123.63 3kkf n GLN 114 Ca 0.00 -1.31 0.03 0.00 -0.01 0.00 0.00 57.00 55.71 3kkf n GLN 114 Cb 0.00 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 29.76 3kkf n GLN 114 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3kkf s LEU 116 N -1.91 -0.24 -0.17 1.08 2.96 -1.26 -4.96 118.68 114.17 3kkf s LEU 116 Ca 0.35 0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 54.53 3kkf s LEU 116 Cb 0.20 1.26 -0.02 0.00 0.50 0.00 0.00 46.19 48.14 3kkf s LEU 116 CO 0.32 -0.05 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.62 3kkf s GLU 117 N 2.31 3.48 -0.35 1.98 2.02 0.37 -4.98 118.70 123.53 3kkf s GLU 117 Ca -0.01 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.34 3kkf s GLU 117 Cb -0.04 -2.87 0.07 0.00 0.10 0.00 0.00 34.13 31.40 3kkf s GLU 117 CO -0.15 0.07 0.09 -0.51 0.02 0.00 0.00 175.26 174.78 3kkf s LEU 118 N 0.76 4.47 -0.45 1.80 1.43 -1.26 -1.08 118.68 124.36 3kkf s LEU 118 Ca -0.03 -1.55 -0.06 0.00 -1.03 0.00 0.00 54.13 51.46 3kkf s LEU 118 Cb -0.15 -1.78 0.12 0.00 0.03 0.00 0.00 46.19 44.41 3kkf s LEU 118 CO 0.02 -0.38 0.28 -0.63 0.23 0.00 0.00 176.35 175.87 3kkf s ILE 119 N 1.22 3.71 0.30 -0.59 1.01 0.24 -5.00 121.20 122.10 3kkf s ILE 119 Ca 0.01 -1.99 -0.29 0.00 0.00 0.00 0.00 60.65 58.37 3kkf s ILE 119 Cb -0.21 -3.49 -0.10 0.00 0.01 0.00 0.00 42.46 38.67 3kkf s ILE 119 CO -0.02 -0.74 1.37 -1.81 0.00 0.00 0.00 174.94 173.74 3kkf s ASP 120 N 2.14 6.69 0.05 3.58 1.01 -1.26 -1.28 116.67 127.60 3kkf s ASP 120 Ca 0.08 2.70 -0.05 0.00 0.71 0.00 0.00 52.55 55.99 3kkf s ASP 120 Cb -0.24 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.03 3kkf s ASP 120 CO -0.03 -0.63 0.09 0.00 0.21 0.00 0.00 175.17 174.81 3kkf s ALA 121 N -0.68 0.04 -0.23 5.23 0.00 -0.75 -4.92 121.76 120.45 3kkf s ALA 121 Ca 0.53 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 3kkf s ALA 121 Cb -0.41 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3kkf s ALA 121 CO 0.50 -0.38 -0.02 0.99 0.00 0.00 0.00 175.76 176.84 3kkf s THR 122 N -3.28 3.50 0.25 0.00 2.01 -1.26 -4.36 115.64 112.50 3kkf s THR 122 Ca 0.01 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 3kkf s THR 122 Cb 0.03 -2.62 -0.09 0.00 0.01 0.00 0.00 72.50 69.83 3kkf s THR 122 CO -0.08 0.39 1.27 -2.16 -0.69 0.00 0.00 174.62 173.35 3kkf s PRO 123 N 1.49 4.42 0.31 4.92 0.04 -1.26 -4.92 135.00 140.01 3kkf s PRO 123 Ca 0.06 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.19 3kkf s PRO 123 Cb -0.15 -3.16 0.51 0.00 0.04 0.00 0.00 34.50 31.75 3kkf s PRO 123 CO -0.02 -0.15 1.79 1.25 0.04 0.00 0.00 177.00 179.91 3kkf h LEU 124 N 4.48 0.46 -7.07 -3.56 5.85 -2.04 -3.34 115.31 110.09 3kkf h LEU 124 Ca -0.46 -0.12 -0.62 0.00 0.84 0.00 0.00 57.88 57.51 3kkf h LEU 124 Cb 1.22 -0.12 -0.40 0.00 0.37 0.00 0.00 40.66 41.72 3kkf h LEU 124 CO 0.72 0.64 -0.70 -0.63 -0.34 0.00 0.00 178.44 178.12 3kkf s ILE 125 N -4.68 1.83 0.26 4.05 1.01 -1.26 -5.11 121.20 117.30 3kkf s ILE 125 Ca -0.07 -2.96 -0.31 0.00 0.00 0.00 0.00 60.65 57.31 3kkf s ILE 125 Cb 0.14 -2.26 -0.13 0.00 0.01 0.00 0.00 42.46 40.22 3kkf s ILE 125 CO 0.78 -0.90 1.49 -2.65 0.00 0.00 0.00 174.94 173.65 3kkf n PRO 126 N 3.21 2.31 -0.99 2.79 -0.02 -1.26 -1.93 135.00 139.11 3kkf n PRO 126 Ca 0.10 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3kkf n PRO 126 Cb 0.35 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3kkf n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kkf n GLY 127 N 2.19 0.83 3.74 -1.23 0.00 -1.26 -4.95 105.19 104.51 3kkf n GLY 127 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3kkf n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kkf s LEU 128 N 0.00 4.37 0.00 0.99 2.96 -0.81 -5.09 118.68 121.10 3kkf s LEU 128 Ca 0.00 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 56.68 3kkf s LEU 128 Cb 0.00 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.07 3kkf s LEU 128 CO 0.00 -0.81 0.00 0.29 -1.32 0.00 0.00 176.35 174.51 3kkf n LYS 129 N 2.70 0.29 0.00 1.98 4.76 -1.26 -5.12 118.16 121.51 3kkf n LYS 129 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 3kkf n LYS 129 Cb 0.39 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 3kkf n LYS 129 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66