#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kps h LYS 2 N 0.00 0.96 -5.79 3.17 2.10 -2.10 -3.48 116.57 111.43 2kps h LYS 2 Ca 0.00 -0.19 -0.05 0.00 -2.00 0.00 0.00 60.65 58.41 2kps h LYS 2 Cb 0.00 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.18 2kps h LYS 2 CO 0.00 0.82 -0.96 2.41 -2.00 0.00 0.00 179.45 179.72 2kps n THR 3 N -4.28 -7.27 -1.69 0.07 -1.04 -1.26 -5.00 114.28 93.83 2kps n THR 3 Ca 0.05 1.01 -0.18 0.00 -2.04 0.00 0.00 64.05 62.89 2kps n THR 3 Cb 0.21 -5.13 0.12 0.00 -1.82 0.00 0.00 70.33 63.71 2kps n THR 3 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2kps n LEU 4 N 0.66 0.00 -1.61 -4.42 4.77 -1.26 -4.88 117.00 110.26 2kps n LEU 4 Ca 0.00 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 2kps n LEU 4 Cb 0.33 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2kps n LEU 4 CO 0.31 -1.07 0.71 -1.22 -1.33 0.00 0.00 177.39 174.80 2kps n TYR 5 N -3.06 0.00 1.83 -1.77 4.01 -1.26 -4.22 117.16 112.69 2kps n TYR 5 Ca 0.11 -0.71 0.00 0.00 -0.16 0.00 0.00 57.90 57.13 2kps n TYR 5 Cb 0.37 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 2kps n TYR 5 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2kps n ASP 6 N 1.59 0.02 -3.10 7.72 8.00 -1.26 -3.76 116.55 125.76 2kps n ASP 6 Ca 0.00 -1.85 -0.22 0.00 0.71 0.00 0.00 54.79 53.42 2kps n ASP 6 Cb 0.36 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.41 2kps n ASP 6 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kps n LEU 7 N -0.49 2.39 -4.55 0.64 4.32 -1.26 -5.06 117.00 112.98 2kps n LEU 7 Ca 0.00 -5.28 -0.36 0.00 -0.02 0.00 0.00 56.01 50.35 2kps n LEU 7 Cb 0.01 0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 41.91 2kps n LEU 7 CO 0.00 2.29 1.49 -2.16 -1.22 0.00 0.00 177.39 177.79 2kps s PRO 8 N -2.78 2.72 0.66 3.23 0.04 -1.25 -4.59 135.00 133.04 2kps s PRO 8 Ca 0.43 0.22 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 2kps s PRO 8 Cb 0.30 -4.56 -0.01 0.00 0.04 0.00 0.00 34.50 30.28 2kps s PRO 8 CO -0.10 -2.78 1.06 0.42 0.04 0.00 0.00 177.00 175.63 2kps s ILE 9 N 8.70 3.94 0.04 0.56 1.01 -1.26 -5.02 121.20 129.17 2kps s ILE 9 Ca 0.63 0.58 0.07 0.00 0.00 0.00 0.00 60.65 61.93 2kps s ILE 9 Cb -0.10 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2kps s ILE 9 CO 0.14 -0.80 -0.18 -0.69 0.00 0.00 0.00 174.94 173.41 2kps s VAL 10 N -3.26 2.79 -0.33 2.92 1.01 -1.25 -4.99 120.40 117.29 2kps s VAL 10 Ca 0.57 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 61.39 2kps s VAL 10 Cb -0.11 -2.18 0.10 0.00 0.00 0.00 0.00 36.38 34.19 2kps s VAL 10 CO 0.52 0.33 0.05 -0.22 0.00 0.00 0.00 175.10 175.77 2kps s LEU 11 N -1.46 4.54 0.00 3.92 2.96 -1.26 -0.17 118.68 127.20 2kps s LEU 11 Ca 0.15 -2.09 -0.01 0.00 -0.22 0.00 0.00 54.13 51.96 2kps s LEU 11 Cb -0.10 -1.57 0.05 0.00 0.50 0.00 0.00 46.19 45.06 2kps s LEU 11 CO 0.05 -0.37 0.36 0.54 -1.32 0.00 0.00 176.35 175.61 2kps n ARG 12 N 4.30 0.22 -3.96 1.98 1.74 0.28 -4.51 116.66 116.71 2kps n ARG 12 Ca 0.03 -0.87 -0.31 0.00 -0.77 0.00 0.00 57.85 55.93 2kps n ARG 12 Cb 0.42 -0.27 0.02 0.00 -1.02 0.00 0.00 32.46 31.61 2kps n ARG 12 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2kps n ASN 13 N -3.03 -4.28 -4.61 0.55 4.13 -1.26 -1.64 115.26 105.12 2kps n ASN 13 Ca 0.06 -0.83 -0.40 0.00 1.68 0.00 0.00 54.58 55.09 2kps n ASN 13 Cb 0.20 -3.69 -0.07 0.00 -1.54 0.00 0.00 39.78 34.68 2kps n ASN 13 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kps s LEU 14 N -7.25 4.08 0.24 3.41 1.43 -1.26 -3.82 118.68 115.52 2kps s LEU 14 Ca 0.63 0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 53.98 2kps s LEU 14 Cb -0.32 -2.75 -0.15 0.00 0.03 0.00 0.00 46.19 43.01 2kps s LEU 14 CO 0.85 -0.35 1.08 -2.65 0.23 0.00 0.00 176.35 175.50 2kps n PRO 15 N 5.66 1.29 0.19 1.29 -0.02 -1.26 -4.79 135.00 137.35 2kps n PRO 15 Ca -0.02 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 2kps n PRO 15 Cb 0.49 -1.88 0.61 0.00 -0.02 0.00 0.00 33.50 32.70 2kps n PRO 15 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kps h GLU 16 N 2.60 0.00 -0.20 -0.52 5.08 -2.03 0.38 114.58 119.89 2kps h GLU 16 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2kps h GLU 16 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2kps h GLU 16 CO 0.65 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.41 2kps n ASP 17 N -2.31 2.87 -4.12 1.42 8.00 -1.26 -4.84 116.55 116.31 2kps n ASP 17 Ca -0.01 -1.85 -0.15 0.00 0.71 0.00 0.00 54.79 53.49 2kps n ASP 17 Cb 0.12 -0.12 -0.11 0.00 -0.02 0.00 0.00 41.12 40.98 2kps n ASP 17 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kps s LEU 18 N -1.38 2.30 0.26 0.64 2.96 0.13 -1.03 118.68 122.57 2kps s LEU 18 Ca 0.27 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2kps s LEU 18 Cb 0.17 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.55 2kps s LEU 18 CO 0.24 -0.19 0.36 0.68 -1.32 0.00 0.00 176.35 176.13 2kps s VAL 19 N -1.62 0.00 0.15 1.68 -7.23 -1.08 -4.31 120.40 107.98 2kps s VAL 19 Ca -0.04 -1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 2kps s VAL 19 Cb -0.08 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.38 2kps s VAL 19 CO 0.01 0.00 0.44 -0.22 -0.31 0.00 0.00 175.10 175.02 2kps s LEU 20 N -3.13 4.27 0.11 1.32 0.20 -1.26 -2.83 118.68 117.35 2kps s LEU 20 Ca 0.30 0.78 -0.16 0.00 0.69 0.00 0.00 54.13 55.74 2kps s LEU 20 Cb 0.02 -3.32 -0.05 0.00 -0.43 0.00 0.00 46.19 42.41 2kps s LEU 20 CO 0.14 0.05 1.53 1.05 -0.29 0.00 0.00 176.35 178.83 2kps h GLU 21 N 3.05 0.61 0.00 1.98 4.11 -1.92 -3.46 114.58 118.95 2kps h GLU 21 Ca -0.47 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 58.74 2kps h GLU 21 Cb 1.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2kps h GLU 21 CO 0.69 0.76 0.00 1.63 0.07 0.00 0.00 179.01 182.17 2kps n LYS 22 N -4.48 0.00 -1.48 1.06 5.02 -1.26 -5.06 118.16 111.95 2kps n LYS 22 Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 2kps n LYS 22 Cb 0.30 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.20 2kps n LYS 22 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2kps n PRO 23 N -0.23 0.26 -2.59 1.97 -0.02 -1.26 -4.77 135.00 128.36 2kps n PRO 23 Ca 0.00 -0.74 -0.34 0.00 -2.02 0.00 0.00 63.50 60.39 2kps n PRO 23 Cb 0.00 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 30.67 2kps n PRO 23 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2kps n LEU 24 N 14.32 6.09 0.00 2.45 0.00 -1.26 -4.86 117.00 133.74 2kps n LEU 24 Ca 0.45 -5.37 0.00 0.00 0.00 0.00 0.00 56.01 51.09 2kps n LEU 24 Cb 0.38 -0.85 0.00 0.00 0.00 0.00 0.00 43.42 42.95 2kps n LEU 24 CO 0.68 2.13 0.00 -0.81 0.00 0.00 0.00 177.39 179.38 2kps n PRO 25 N -0.26 0.00 -3.92 1.96 -0.04 -1.26 -4.87 135.00 126.61 2kps n PRO 25 Ca 0.42 0.18 -0.30 0.00 -0.04 0.00 0.00 63.50 63.76 2kps n PRO 25 Cb 0.36 -0.65 -0.01 0.00 -0.04 0.00 0.00 33.50 33.15 2kps n PRO 25 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kps n GLU 26 N -1.18 -0.61 -3.54 0.54 2.13 -1.26 -4.88 120.64 111.83 2kps n GLU 26 Ca 0.00 -0.06 -0.35 0.00 0.66 0.00 0.00 57.16 57.40 2kps n GLU 26 Cb 0.00 -1.78 -0.06 0.00 0.27 0.00 0.00 31.44 29.88 2kps n GLU 26 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2kps s VAL 27 N -3.97 5.06 0.52 6.31 1.01 -1.26 -5.08 120.40 122.99 2kps s VAL 27 Ca 0.24 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.69 2kps s VAL 27 Cb -0.13 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2kps s VAL 27 CO 0.69 0.35 0.90 -0.44 0.00 0.00 0.00 175.10 176.59 2kps s SER 28 N -1.61 6.34 -0.05 3.32 0.01 -1.26 -5.09 113.70 115.35 2kps s SER 28 Ca 0.31 1.22 -0.06 0.00 1.31 0.00 0.00 55.95 58.73 2kps s SER 28 Cb -0.15 -2.37 0.01 0.00 0.21 0.00 0.00 66.02 63.73 2kps s SER 28 CO 0.17 -0.66 0.17 -0.69 0.41 0.00 0.00 173.24 172.64 2kps s VAL 29 N -2.83 0.01 -0.29 3.43 1.01 -1.26 -4.70 120.40 115.77 2kps s VAL 29 Ca 0.52 -0.11 0.17 0.00 0.00 0.00 0.00 61.98 62.57 2kps s VAL 29 Cb -0.11 -0.27 0.48 0.00 0.00 0.00 0.00 36.38 36.48 2kps s VAL 29 CO 0.44 -0.06 1.09 0.41 0.00 0.00 0.00 175.10 176.99 2kps n THR 30 N 2.74 1.55 -4.26 3.92 -1.04 -1.26 -5.09 114.28 110.84 2kps n THR 30 Ca -0.14 -3.36 -0.27 0.00 -2.04 0.00 0.00 64.05 58.24 2kps n THR 30 Cb 0.58 0.49 -0.09 0.00 -1.82 0.00 0.00 70.33 69.50 2kps n THR 30 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2kps s ILE 31 N -3.96 3.32 0.25 12.58 -1.09 -1.26 -4.53 121.20 126.51 2kps s ILE 31 Ca 0.33 -1.54 0.02 0.00 -2.23 0.00 0.00 60.65 57.23 2kps s ILE 31 Cb 0.37 -2.63 -0.04 0.00 -1.58 0.00 0.00 42.46 38.58 2kps s ILE 31 CO -0.02 -0.07 0.18 0.00 -1.23 0.00 0.00 174.94 173.80 2kps s ARG 32 N -2.73 1.41 0.34 2.79 1.70 -1.26 -5.14 118.95 116.06 2kps s ARG 32 Ca 0.25 -1.78 -0.15 0.00 -0.47 0.00 0.00 55.73 53.58 2kps s ARG 32 Cb -0.09 0.23 0.04 0.00 -0.57 0.00 0.00 34.95 34.56 2kps s ARG 32 CO 0.15 -0.47 0.71 0.00 -1.08 0.00 0.00 175.30 174.62 2kps s ALA 33 N -3.89 -0.65 0.25 7.88 0.00 -1.26 -4.54 121.76 119.56 2kps s ALA 33 Ca 0.39 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 2kps s ALA 33 Cb 0.05 0.80 -0.09 0.00 0.00 0.00 0.00 23.12 23.89 2kps s ALA 33 CO 0.17 -0.97 1.03 0.71 0.00 0.00 0.00 175.76 176.70 2kps s TYR 34 N -2.92 3.76 0.33 0.00 1.51 -1.26 -4.94 117.35 113.83 2kps s TYR 34 Ca 0.17 1.79 0.12 0.00 -1.01 0.00 0.00 57.07 58.13 2kps s TYR 34 Cb -0.04 -3.15 0.99 0.00 -0.11 0.00 0.00 41.96 39.65 2kps s TYR 34 CO 0.11 -0.10 1.68 -1.35 -1.11 0.00 0.00 175.55 174.78 2kps h PRO 35 N 4.15 0.37 0.48 -1.71 0.11 -2.01 -1.57 132.00 131.82 2kps h PRO 35 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2kps h PRO 35 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2kps h PRO 35 CO 0.68 0.25 -0.39 0.93 -0.21 0.00 0.00 178.00 179.25 2kps h GLU 36 N 0.38 -0.84 -0.08 1.05 5.08 -1.99 1.12 114.58 119.31 2kps h GLU 36 Ca 0.69 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 59.13 2kps h GLU 36 Cb 1.48 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.92 2kps h GLU 36 CO -0.57 -0.56 0.12 0.82 -1.00 0.00 0.00 179.01 177.82 2kps h ILE 37 N -0.87 0.32 0.00 3.13 2.04 -1.70 0.16 117.51 120.59 2kps h ILE 37 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2kps h ILE 37 Cb 0.75 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2kps h ILE 37 CO -0.01 0.00 -1.14 0.18 0.00 0.00 0.00 178.15 177.18 2kps n LEU 38 N -3.54 0.66 -0.10 1.44 4.77 -0.51 -3.56 117.00 116.16 2kps n LEU 38 Ca -0.01 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 2kps n LEU 38 Cb 0.21 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2kps n LEU 38 CO 0.24 -0.10 0.69 -1.13 -1.33 0.00 0.00 177.39 175.76 2kps h ASN 39 N 0.00 0.58 -0.64 -1.43 -0.73 0.43 -3.16 115.58 110.63 2kps h ASN 39 Ca 0.00 -0.39 -0.26 0.00 1.87 0.00 0.00 56.30 57.52 2kps h ASN 39 Cb 0.93 -0.16 -0.16 0.00 0.27 0.00 0.00 38.32 39.20 2kps h ASN 39 CO 0.00 0.84 0.24 0.59 -0.37 0.00 0.00 177.43 178.73 2kps n ASN 40 N -4.47 3.71 -4.43 1.15 4.13 -1.15 -4.95 115.26 109.26 2kps n ASN 40 Ca -0.03 -3.47 -0.33 0.00 1.68 0.00 0.00 54.58 52.43 2kps n ASN 40 Cb 0.34 -0.71 -0.14 0.00 -1.54 0.00 0.00 39.78 37.73 2kps n ASN 40 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2kps s LEU 41 N -3.14 2.66 -0.03 3.41 0.20 -1.20 -5.08 118.68 115.51 2kps s LEU 41 Ca 0.51 -0.26 0.06 0.00 0.69 0.00 0.00 54.13 55.13 2kps s LEU 41 Cb 0.43 -1.55 -0.01 0.00 -0.43 0.00 0.00 46.19 44.62 2kps s LEU 41 CO 0.08 0.29 -0.22 0.28 -0.29 0.00 0.00 176.35 176.49 2kps s THR 42 N -0.39 1.74 0.48 3.68 -1.32 -1.26 -4.94 115.64 113.63 2kps s THR 42 Ca 0.04 -0.93 0.35 0.00 -1.21 0.00 0.00 61.69 59.94 2kps s THR 42 Cb -0.12 -1.45 0.55 0.00 -1.51 0.00 0.00 72.50 69.97 2kps s THR 42 CO 0.02 0.49 1.66 0.07 -2.21 0.00 0.00 174.62 174.65 2kps h LYS 43 N 5.73 0.08 -0.03 7.08 2.10 -1.99 1.57 116.57 131.11 2kps h LYS 43 Ca -0.38 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.27 2kps h LYS 43 Cb 1.14 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2kps h LYS 43 CO 0.48 0.05 0.05 0.93 -2.00 0.00 0.00 179.45 178.95 2kps h GLU 44 N 0.08 0.00 -0.16 0.07 4.39 -2.02 -1.62 114.58 115.32 2kps h GLU 44 Ca 0.78 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.32 2kps h GLU 44 Cb 2.72 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 31.37 2kps h GLU 44 CO -0.23 0.00 -0.53 0.37 -1.16 0.00 0.00 179.01 177.45 2kps h GLN 45 N 0.00 0.65 -6.32 2.33 4.15 0.19 -3.44 115.11 112.67 2kps h GLN 45 Ca 0.01 -0.48 -0.60 0.00 0.77 0.00 0.00 58.65 58.35 2kps h GLN 45 Cb 0.11 0.08 0.02 0.00 0.21 0.00 0.00 27.48 27.91 2kps h GLN 45 CO -0.00 1.10 1.06 -0.89 -1.93 0.00 0.00 178.83 178.17 2kps n ILE 46 N -4.15 0.50 -3.36 2.39 2.08 -0.61 -4.90 119.36 111.31 2kps n ILE 46 Ca -0.07 -0.09 -0.46 0.00 0.56 0.00 0.00 62.75 62.70 2kps n ILE 46 Cb 0.61 -1.86 -0.04 0.00 -0.75 0.00 0.00 39.64 37.61 2kps n ILE 46 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2kps s SER 47 N 3.59 6.40 -0.22 4.38 0.01 -0.82 -5.02 113.70 122.02 2kps s SER 47 Ca 0.90 -2.34 -0.08 0.00 1.31 0.00 0.00 55.95 55.75 2kps s SER 47 Cb -0.67 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.35 2kps s SER 47 CO 0.49 -0.67 0.08 -0.76 0.41 0.00 0.00 173.24 172.78 2kps s LEU 48 N 0.73 3.65 -0.25 2.44 1.43 -1.26 -1.01 118.68 124.40 2kps s LEU 48 Ca 0.12 -0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 52.97 2kps s LEU 48 Cb -0.19 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.15 2kps s LEU 48 CO -0.04 0.06 0.64 -1.66 0.23 0.00 0.00 176.35 175.58 2kps s TRP 49 N 1.07 -0.86 -0.02 0.29 -2.14 -1.26 -3.82 118.94 112.20 2kps s TRP 49 Ca 0.04 1.86 0.02 0.00 2.66 0.00 0.00 56.10 60.69 2kps s TRP 49 Cb -0.14 0.42 -0.03 0.00 -3.10 0.00 0.00 33.47 30.61 2kps s TRP 49 CO 0.03 -0.42 -0.05 0.42 -2.66 0.00 0.00 176.95 174.27 2kps s ILE 50 N 1.02 3.80 -0.34 0.66 1.01 0.76 -3.88 121.20 124.23 2kps s ILE 50 Ca -0.05 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.81 2kps s ILE 50 Cb -0.05 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 2kps s ILE 50 CO -0.10 0.45 0.30 -1.81 0.00 0.00 0.00 174.94 173.79 2kps s ASP 51 N -1.27 6.12 -0.58 3.58 1.01 -1.26 -0.56 116.67 123.70 2kps s ASP 51 Ca 0.16 -0.34 -0.02 0.00 0.71 0.00 0.00 52.55 53.07 2kps s ASP 51 Cb -0.11 -2.17 0.36 0.00 1.01 0.00 0.00 42.92 42.01 2kps s ASP 51 CO 0.06 -0.29 2.07 0.00 0.21 0.00 0.00 175.17 177.22 2kps n ALA 52 N 5.24 6.04 -2.41 5.23 0.00 -0.65 -4.96 120.51 129.01 2kps n ALA 52 Ca -0.11 -3.03 -0.43 0.00 0.00 0.00 0.00 53.44 49.87 2kps n ALA 52 Cb 0.49 -1.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 2kps n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kps s THR 53 N -4.07 4.09 -0.09 0.00 -4.23 -1.25 -2.92 115.64 107.18 2kps s THR 53 Ca 0.55 1.21 -0.00 0.00 -1.18 0.00 0.00 61.69 62.27 2kps s THR 53 Cb 0.43 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2kps s THR 53 CO -0.05 -0.53 0.02 0.61 -0.54 0.00 0.00 174.62 174.12 2kps n GLY 54 N 4.47 0.47 3.52 3.99 0.00 -1.26 -5.01 105.19 111.36 2kps n GLY 54 Ca 0.15 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 2kps n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kps s LYS 55 N -4.32 3.31 0.58 1.61 2.47 -1.15 -5.05 119.74 117.20 2kps s LYS 55 Ca 0.01 -0.31 -0.05 0.00 -1.56 0.00 0.00 55.97 54.06 2kps s LYS 55 Cb -0.00 -3.96 0.01 0.00 -1.46 0.00 0.00 37.83 32.42 2kps s LYS 55 CO 0.01 -1.08 0.88 0.00 0.16 0.00 0.00 175.35 175.32 2kps s ALA 56 N 3.01 3.36 0.74 3.13 0.00 -1.26 -4.92 121.76 125.82 2kps s ALA 56 Ca 0.25 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.33 2kps s ALA 56 Cb -0.14 -2.55 0.05 0.00 0.00 0.00 0.00 23.12 20.48 2kps s ALA 56 CO 0.20 -0.77 1.14 0.08 0.00 0.00 0.00 175.76 176.41 2kps s VAL 57 N -2.95 2.79 0.00 0.00 1.01 -1.26 -4.78 120.40 115.21 2kps s VAL 57 Ca 0.53 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.85 2kps s VAL 57 Cb -0.10 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2kps s VAL 57 CO 0.44 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2kps n GLY 58 N -0.26 0.26 2.75 4.51 0.00 -1.26 -4.98 105.19 106.21 2kps n GLY 58 Ca 0.11 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.23 2kps n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kps s GLU 59 N 0.00 0.48 -0.01 1.61 2.02 -1.26 -2.88 118.70 118.66 2kps s GLU 59 Ca 0.00 0.14 -0.08 0.00 0.02 0.00 0.00 54.97 55.05 2kps s GLU 59 Cb 0.00 -0.93 0.01 0.00 0.10 0.00 0.00 34.13 33.31 2kps s GLU 59 CO 0.00 -0.32 0.16 -1.01 0.02 0.00 0.00 175.26 174.11 2kps s HIS 60 N 2.01 -0.03 0.24 1.61 3.76 -1.25 -5.01 115.29 116.62 2kps s HIS 60 Ca 0.05 0.03 -0.25 0.00 -0.15 0.00 0.00 55.06 54.74 2kps s HIS 60 Cb -0.12 -0.01 -0.09 0.00 1.11 0.00 0.00 32.58 33.47 2kps s HIS 60 CO -0.05 -0.25 0.84 -0.08 -0.85 0.00 0.00 174.74 174.35 2kps s THR 61 N -1.05 4.32 -0.02 1.30 -1.32 -1.26 -4.03 115.64 113.58 2kps s THR 61 Ca -0.11 1.70 0.04 0.00 -1.21 0.00 0.00 61.69 62.11 2kps s THR 61 Cb -0.06 -4.07 -0.01 0.00 -1.51 0.00 0.00 72.50 66.85 2kps s THR 61 CO 0.01 0.33 -0.15 0.68 -2.21 0.00 0.00 174.62 173.29 2kps s VAL 62 N -1.38 1.18 0.24 5.08 -7.23 0.25 -4.98 120.40 113.56 2kps s VAL 62 Ca 0.43 -0.62 -0.23 0.00 -1.81 0.00 0.00 61.98 59.75 2kps s VAL 62 Cb -0.21 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.65 2kps s VAL 62 CO 0.25 0.34 0.80 -1.59 -0.31 0.00 0.00 175.10 174.59 2kps s LYS 63 N -0.23 4.41 -0.32 4.82 -2.85 -1.26 -2.90 119.74 121.41 2kps s LYS 63 Ca 0.03 1.06 -0.13 0.00 -1.00 0.00 0.00 55.97 55.94 2kps s LYS 63 Cb -0.07 -2.94 -0.03 0.00 -2.06 0.00 0.00 37.83 32.73 2kps s LYS 63 CO -0.00 0.40 0.25 0.42 0.10 0.00 0.00 175.35 176.52 2kps s ILE 64 N -1.47 5.27 0.03 3.79 1.09 -1.26 -4.65 121.20 124.01 2kps s ILE 64 Ca 0.43 -0.02 -0.27 0.00 -1.10 0.00 0.00 60.65 59.69 2kps s ILE 64 Cb -0.19 -3.67 -0.17 0.00 -1.06 0.00 0.00 42.46 37.37 2kps s ILE 64 CO 0.23 0.07 1.36 0.22 -0.10 0.00 0.00 174.94 176.72 2kps h TYR 65 N 8.43 -0.52 -3.84 3.97 5.03 -1.96 -3.50 116.97 124.58 2kps h TYR 65 Ca -0.32 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.98 2kps h TYR 65 Cb 1.17 0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.62 2kps h TYR 65 CO 0.70 -0.22 -0.69 -2.67 -1.32 0.00 0.00 178.16 173.96 2kps n TRP 66 N -5.25 -3.45 -3.83 -3.82 2.14 -1.26 -5.03 117.44 96.94 2kps n TRP 66 Ca -0.11 1.80 -0.13 0.00 2.07 0.00 0.00 57.50 61.13 2kps n TRP 66 Cb 0.28 -2.76 -0.14 0.00 -0.81 0.00 0.00 31.31 27.88 2kps n TRP 66 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2kps s GLN 67 N -1.90 0.01 0.03 -2.67 0.74 -0.18 -5.01 119.66 110.66 2kps s GLN 67 Ca 0.00 0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.48 2kps s GLN 67 Cb 0.00 -0.07 -0.02 0.00 1.10 0.00 0.00 33.01 34.02 2kps s GLN 67 CO 0.00 -0.06 0.00 -0.48 -0.55 0.00 0.00 175.29 174.21 2kps s LEU 68 N 0.35 2.19 0.00 3.68 0.05 -1.26 -1.95 118.68 121.74 2kps s LEU 68 Ca -0.03 -0.61 0.24 0.00 0.05 0.00 0.00 54.13 53.78 2kps s LEU 68 Cb -0.04 0.24 1.42 0.00 -2.05 0.00 0.00 46.19 45.76 2kps s LEU 68 CO -0.01 -0.41 1.92 -0.81 -0.55 0.00 0.00 176.35 176.48 2kps n PRO 69 N 1.08 1.04 -1.91 1.48 -0.04 -1.26 -4.85 135.00 130.55 2kps n PRO 69 Ca -0.21 -0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 62.90 2kps n PRO 69 Cb 0.57 -1.38 0.06 0.00 -0.04 0.00 0.00 33.50 32.70 2kps n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kps s ALA 70 N -1.99 2.85 -0.41 0.55 0.00 -1.26 -5.02 121.76 116.47 2kps s ALA 70 Ca 0.36 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.93 2kps s ALA 70 Cb 0.17 -2.99 0.45 0.00 0.00 0.00 0.00 23.12 20.74 2kps s ALA 70 CO 0.28 -1.27 1.37 0.41 0.00 0.00 0.00 175.76 176.55 2kps n GLY 71 N -3.08 6.20 3.56 0.00 0.00 -1.26 -5.06 105.19 105.56 2kps n GLY 71 Ca 0.07 -2.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.18 2kps n GLY 71 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kps s ILE 72 N -4.83 1.58 -0.18 -0.61 -5.25 -1.26 -5.04 121.20 105.61 2kps s ILE 72 Ca 0.53 0.00 -0.03 0.00 -0.99 0.00 0.00 60.65 60.16 2kps s ILE 72 Cb 0.43 -2.44 -0.02 0.00 2.95 0.00 0.00 42.46 43.38 2kps s ILE 72 CO -0.03 0.00 -0.05 -1.61 -1.79 0.00 0.00 174.94 171.46 2kps s GLU 73 N -5.34 3.49 -0.65 0.37 0.41 -1.26 -5.05 118.70 110.67 2kps s GLU 73 Ca 0.70 -0.59 -0.26 0.00 -0.41 0.00 0.00 54.97 54.41 2kps s GLU 73 Cb -0.11 -2.92 -0.03 0.00 -1.78 0.00 0.00 34.13 29.30 2kps s GLU 73 CO 0.56 0.04 1.91 -1.64 -0.49 0.00 0.00 175.26 175.64 2kps s MET 74 N 0.87 2.58 -0.11 1.61 -1.94 -1.26 -4.76 119.30 116.29 2kps s MET 74 Ca -0.01 0.51 -0.15 0.00 -1.71 0.00 0.00 55.69 54.33 2kps s MET 74 Cb -0.15 -4.50 -0.13 0.00 2.01 0.00 0.00 34.83 32.06 2kps s MET 74 CO 0.01 -2.87 0.43 0.28 -0.01 0.00 0.00 175.02 172.86 2kps h VAL 75 N 6.99 0.85 -3.98 -6.03 2.07 -1.97 -3.48 116.25 110.70 2kps h VAL 75 Ca -0.20 -1.58 -0.14 0.00 0.82 0.00 0.00 66.70 65.60 2kps h VAL 75 Cb 1.14 1.59 -0.18 0.00 -1.52 0.00 0.00 31.29 32.33 2kps h VAL 75 CO 1.21 0.28 -0.63 -0.55 0.02 0.00 0.00 177.57 177.90 2kps s SER 76 N -5.81 0.28 -0.35 0.57 0.15 -1.26 -5.14 113.70 102.14 2kps s SER 76 Ca -0.10 -0.64 -0.01 0.00 0.70 0.00 0.00 55.95 55.90 2kps s SER 76 Cb -0.01 0.17 0.08 0.00 -1.71 0.00 0.00 66.02 64.55 2kps s SER 76 CO 0.35 -0.46 0.08 -0.51 1.20 0.00 0.00 173.24 173.91 2kps s ILE 77 N -2.53 3.00 0.50 6.45 -1.16 -1.26 -4.79 121.20 121.41 2kps s ILE 77 Ca -0.06 -1.78 -0.06 0.00 -0.51 0.00 0.00 60.65 58.24 2kps s ILE 77 Cb -0.02 -2.92 -0.04 0.00 0.61 0.00 0.00 42.46 40.09 2kps s ILE 77 CO -0.05 -0.40 0.82 -2.16 -2.81 0.00 0.00 174.94 170.35 2kps s PRO 78 N 1.16 3.57 0.44 3.50 0.04 -1.26 -5.10 135.00 137.35 2kps s PRO 78 Ca 0.02 0.31 0.03 0.00 0.04 0.00 0.00 61.00 61.40 2kps s PRO 78 Cb -0.21 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 2kps s PRO 78 CO -0.03 -0.25 0.10 0.16 0.04 0.00 0.00 177.00 177.01 2kps s ASP 79 N -4.06 3.22 -0.00 6.66 -4.77 -1.26 -4.43 116.67 112.03 2kps s ASP 79 Ca 0.49 -1.69 -0.14 0.00 -3.30 0.00 0.00 52.55 47.91 2kps s ASP 79 Cb -0.10 0.54 0.02 0.00 -1.09 0.00 0.00 42.92 42.29 2kps s ASP 79 CO 0.46 -0.93 0.29 0.54 0.70 0.00 0.00 175.17 176.23 2kps s VAL 80 N -3.10 0.06 0.03 2.11 0.11 -1.14 -4.77 120.40 113.70 2kps s VAL 80 Ca 0.18 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 2kps s VAL 80 Cb 0.02 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2kps s VAL 80 CO 0.11 -0.29 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.65 2kps s THR 81 N -1.50 0.33 0.10 5.04 2.01 -1.26 -0.58 115.64 119.78 2kps s THR 81 Ca -0.13 -1.06 -0.06 0.00 0.31 0.00 0.00 61.69 60.75 2kps s THR 81 Cb -0.05 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 71.96 2kps s THR 81 CO 0.03 -0.48 0.30 0.00 -0.69 0.00 0.00 174.62 173.78 2kps n TYR 82 N 1.41 -1.14 -4.27 4.92 0.18 -1.26 -5.03 117.16 111.98 2kps n TYR 82 Ca -0.23 -0.52 -0.28 0.00 1.88 0.00 0.00 57.90 58.76 2kps n TYR 82 Cb 0.55 0.26 -0.10 0.00 -0.38 0.00 0.00 39.34 39.67 2kps n TYR 82 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2kps s THR 83 N -2.55 3.19 0.08 -3.48 2.01 -1.26 -3.78 115.64 109.85 2kps s THR 83 Ca 0.06 -1.54 0.09 0.00 0.31 0.00 0.00 61.69 60.62 2kps s THR 83 Cb -0.01 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 2kps s THR 83 CO 0.03 -0.03 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.93 2kps s LEU 84 N -2.58 2.23 -0.06 4.42 1.43 -1.14 -3.92 118.68 119.07 2kps s LEU 84 Ca 0.23 -0.64 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 2kps s LEU 84 Cb -0.10 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 2kps s LEU 84 CO 0.14 0.18 -0.20 -1.59 0.23 0.00 0.00 176.35 175.11 2kps s LYS 85 N -1.57 2.18 0.43 1.70 -2.85 -1.13 -4.34 119.74 114.16 2kps s LYS 85 Ca 0.11 -0.72 -0.25 0.00 -1.00 0.00 0.00 55.97 54.11 2kps s LYS 85 Cb -0.10 -1.83 -0.09 0.00 -2.06 0.00 0.00 37.83 33.75 2kps s LYS 85 CO 0.03 0.26 1.23 0.00 0.10 0.00 0.00 175.35 176.98 2kps n ALA 86 N 3.18 1.12 -1.00 0.59 0.00 -1.26 -2.64 120.51 120.49 2kps n ALA 86 Ca -0.18 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kps n ALA 86 Cb 0.53 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2kps n ALA 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kps n LYS 87 N -0.03 2.72 -3.08 0.00 4.81 -0.19 -4.80 118.16 117.59 2kps n LYS 87 Ca 0.07 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.33 2kps n LYS 87 Cb 0.40 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.47 2kps n LYS 87 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2kps n GLU 88 N 0.00 -2.24 -3.11 1.64 2.13 -1.26 -4.96 120.64 112.84 2kps n GLU 88 Ca 0.00 1.89 -0.37 0.00 0.66 0.00 0.00 57.16 59.34 2kps n GLU 88 Cb 0.00 -4.44 -0.06 0.00 0.27 0.00 0.00 31.44 27.21 2kps n GLU 88 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kps s ASP 89 N -2.22 7.11 -0.06 4.31 1.11 -1.26 -5.02 116.67 120.64 2kps s ASP 89 Ca 0.30 1.43 -0.22 0.00 0.18 0.00 0.00 52.55 54.24 2kps s ASP 89 Cb -0.06 -2.42 -0.17 0.00 1.07 0.00 0.00 42.92 41.34 2kps s ASP 89 CO 0.81 0.09 0.87 1.55 1.18 0.00 0.00 175.17 179.67 2kps h PRO 90 N 3.70 -0.14 0.00 8.23 0.13 -2.00 -3.36 132.00 138.56 2kps h PRO 90 Ca -0.48 0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 2kps h PRO 90 Cb 1.20 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2kps h PRO 90 CO 0.65 0.37 -1.56 1.28 -0.23 0.00 0.00 178.00 178.51 2kps n LEU 91 N -4.86 0.83 -2.68 1.56 4.77 -1.26 -5.06 117.00 110.30 2kps n LEU 91 Ca -0.08 0.38 -0.04 0.00 -0.03 0.00 0.00 56.01 56.24 2kps n LEU 91 Cb 0.28 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 2kps n LEU 91 CO 0.27 0.24 -0.49 1.21 -1.33 0.00 0.00 177.39 177.29 2kps n GLU 92 N -2.93 -3.77 0.00 3.23 2.13 -1.26 -4.76 120.64 113.28 2kps n GLU 92 Ca -0.13 2.88 0.00 0.00 0.66 0.00 0.00 57.16 60.58 2kps n GLU 92 Cb 0.92 -3.92 0.00 0.00 0.27 0.00 0.00 31.44 28.72 2kps n GLU 92 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kps n HIS 93 N 1.94 -0.39 -2.84 4.31 -0.00 -1.26 -4.88 115.22 112.11 2kps n HIS 93 Ca -0.28 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.24 2kps n HIS 93 Cb 0.44 0.14 0.01 0.00 -0.00 0.00 0.00 29.99 30.57 2kps n HIS 93 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kps n HIS 94 N 0.00 -1.60 -2.42 1.57 -0.00 -1.26 -4.04 115.22 107.47 2kps n HIS 94 Ca 0.00 0.27 -0.02 0.00 -0.00 0.00 0.00 57.72 57.97 2kps n HIS 94 Cb 0.00 -3.48 -0.01 0.00 -0.00 0.00 0.00 29.99 26.50 2kps n HIS 94 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kps n HIS 95 N -3.94 -4.19 -1.68 1.57 8.25 -1.26 -4.79 115.22 109.17 2kps n HIS 95 Ca -0.12 2.48 -0.43 0.00 -0.26 0.00 0.00 57.72 59.40 2kps n HIS 95 Cb 0.61 -3.53 -0.03 0.00 1.12 0.00 0.00 29.99 28.15 2kps n HIS 95 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kps n HIS 96 N 1.87 2.59 -2.02 4.41 -0.00 -1.26 -4.90 115.22 115.91 2kps n HIS 96 Ca -0.11 -0.18 -0.42 0.00 0.46 0.00 0.00 57.72 57.47 2kps n HIS 96 Cb 0.17 -2.74 -0.03 0.00 -0.12 0.00 0.00 29.99 27.28 2kps n HIS 96 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kps s HIS 97 N 3.03 2.19 0.00 1.57 2.46 -1.26 -5.18 115.29 118.10 2kps s HIS 97 Ca 0.83 0.31 0.00 0.00 0.47 0.00 0.00 55.06 56.67 2kps s HIS 97 Cb -0.48 -3.89 0.00 0.00 -0.13 0.00 0.00 32.58 28.08 2kps s HIS 97 CO 0.39 -3.65 0.00 0.72 -2.47 0.00 0.00 174.74 169.72