#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kps n LYS 2 N 0.00 0.11 0.26 0.03 5.02 -1.26 -3.60 118.16 118.72 2kps n LYS 2 Ca 0.00 0.05 0.14 0.00 -2.02 0.00 0.00 58.31 56.48 2kps n LYS 2 Cb 0.00 -1.59 0.70 0.00 -0.02 0.00 0.00 35.03 34.13 2kps n LYS 2 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2kps h THR 3 N 0.00 0.38 0.00 -0.18 1.35 -2.09 -3.36 112.91 109.00 2kps h THR 3 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2kps h THR 3 Cb 0.59 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2kps h THR 3 CO 0.00 0.11 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 2kps n LEU 4 N -3.39 0.00 -4.58 3.87 4.32 -1.24 -4.17 117.00 111.82 2kps n LEU 4 Ca -0.01 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.60 2kps n LEU 4 Cb 0.28 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.06 2kps n LEU 4 CO 0.29 0.00 1.75 -0.31 -1.22 0.00 0.00 177.39 177.90 2kps s TYR 5 N 0.00 2.50 0.14 -1.77 2.02 -1.26 -4.74 117.35 114.23 2kps s TYR 5 Ca 0.00 -0.90 -0.09 0.00 -0.37 0.00 0.00 57.07 55.72 2kps s TYR 5 Cb 0.00 -4.54 -0.06 0.00 -0.40 0.00 0.00 41.96 36.96 2kps s TYR 5 CO 0.00 -1.70 1.39 -0.44 -1.57 0.00 0.00 175.55 173.23 2kps h ASP 6 N 8.66 0.82 -2.73 2.29 3.32 -1.72 -3.38 116.42 123.68 2kps h ASP 6 Ca 0.33 -0.50 -0.61 0.00 0.02 0.00 0.00 57.03 56.28 2kps h ASP 6 Cb 0.92 -0.24 -0.40 0.00 0.22 0.00 0.00 39.33 39.82 2kps h ASP 6 CO 1.39 1.27 -0.74 0.18 -1.72 0.00 0.00 179.24 179.62 2kps n LEU 7 N -3.94 1.73 -4.56 1.55 4.77 -1.26 -5.08 117.00 110.21 2kps n LEU 7 Ca -0.05 -4.91 -0.40 0.00 -0.03 0.00 0.00 56.01 50.62 2kps n LEU 7 Cb 0.69 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2kps n LEU 7 CO 0.51 1.83 1.96 -2.65 -1.33 0.00 0.00 177.39 177.71 2kps n PRO 8 N 2.17 1.33 -2.43 3.23 -0.02 -1.26 -4.85 135.00 133.16 2kps n PRO 8 Ca 0.24 0.20 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 2kps n PRO 8 Cb 0.41 -3.25 -0.04 0.00 -0.02 0.00 0.00 33.50 30.60 2kps n PRO 8 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kps s ILE 9 N 10.51 4.45 -0.09 4.25 1.01 -1.26 -5.05 121.20 135.02 2kps s ILE 9 Ca 1.01 1.23 -0.02 0.00 0.00 0.00 0.00 60.65 62.87 2kps s ILE 9 Cb -0.31 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 2kps s ILE 9 CO 0.31 -0.62 -0.01 -0.69 0.00 0.00 0.00 174.94 173.94 2kps s VAL 10 N -2.54 4.22 -0.10 2.92 1.01 -1.26 -5.08 120.40 119.57 2kps s VAL 10 Ca 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 2kps s VAL 10 Cb -0.10 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2kps s VAL 10 CO 0.29 0.59 -0.05 -0.76 0.00 0.00 0.00 175.10 175.17 2kps s LEU 11 N -0.72 1.01 0.00 3.92 1.43 -1.26 -3.56 118.68 119.50 2kps s LEU 11 Ca 0.11 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2kps s LEU 11 Cb -0.12 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.39 2kps s LEU 11 CO 0.02 -0.14 0.00 -2.11 0.23 0.00 0.00 176.35 174.35 2kps n ARG 12 N 4.98 0.97 0.00 1.70 1.85 -1.26 -4.77 116.66 120.14 2kps n ARG 12 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 2kps n ARG 12 Cb 0.50 -0.76 0.00 0.00 -1.05 0.00 0.00 32.46 31.15 2kps n ARG 12 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2kps n ASN 13 N -1.67 0.00 -4.67 2.89 4.13 -1.26 -4.62 115.26 110.06 2kps n ASN 13 Ca 0.00 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.87 2kps n ASN 13 Cb 0.26 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.43 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 0.00 4.16 0.37 3.41 1.43 -1.26 -1.65 118.68 125.14 2kps s LEU 14 Ca 0.00 0.66 -0.25 0.00 -1.03 0.00 0.00 54.13 53.51 2kps s LEU 14 Cb 0.00 -2.67 -0.13 0.00 0.03 0.00 0.00 46.19 43.42 2kps s LEU 14 CO 0.00 -0.14 0.73 -2.65 0.23 0.00 0.00 176.35 174.51 2kps n PRO 15 N 4.63 0.82 0.20 1.29 -0.02 -1.26 -4.79 135.00 135.86 2kps n PRO 15 Ca -0.06 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 61.84 2kps n PRO 15 Cb 0.51 -1.62 0.65 0.00 -0.02 0.00 0.00 33.50 33.02 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 1.21 0.00 -0.30 -0.52 5.08 -1.96 0.28 114.58 118.37 2kps h GLU 16 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2kps h GLU 16 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2kps h GLU 16 CO 0.55 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.31 2kps n ASP 17 N -2.37 3.18 -4.09 1.42 8.00 -1.26 -4.89 116.55 116.54 2kps n ASP 17 Ca -0.02 -1.93 -0.14 0.00 0.71 0.00 0.00 54.79 53.42 2kps n ASP 17 Cb 0.10 -0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.42 2.29 0.22 0.64 2.96 0.97 -2.10 118.68 122.24 2kps s LEU 18 Ca 0.33 -0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 53.56 2kps s LEU 18 Cb 0.20 -0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.65 2kps s LEU 18 CO 0.28 -0.21 0.28 0.68 -1.32 0.00 0.00 176.35 176.05 2kps s VAL 19 N -1.63 0.00 -0.09 1.68 -7.23 -1.00 -4.37 120.40 107.77 2kps s VAL 19 Ca -0.06 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 58.30 2kps s VAL 19 Cb -0.08 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2kps s VAL 19 CO 0.00 0.00 0.14 -0.22 -0.31 0.00 0.00 175.10 174.71 2kps s LEU 20 N -3.10 4.34 0.00 1.32 2.96 -1.26 -2.47 118.68 120.47 2kps s LEU 20 Ca 0.32 0.42 0.12 0.00 -0.22 0.00 0.00 54.13 54.77 2kps s LEU 20 Cb 0.04 -2.18 0.26 0.00 0.50 0.00 0.00 46.19 44.81 2kps s LEU 20 CO 0.11 0.37 1.16 -1.84 -1.32 0.00 0.00 176.35 174.83 2kps n GLU 21 N 1.75 2.22 0.00 1.98 0.28 -1.25 -4.92 120.64 120.70 2kps n GLU 21 Ca -0.18 -1.84 0.00 0.00 -0.16 0.00 0.00 57.16 54.98 2kps n GLU 21 Cb 0.54 -1.28 0.00 0.00 1.43 0.00 0.00 31.44 32.14 2kps n GLU 21 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2kps n LYS 22 N 0.64 0.00 -0.07 3.44 2.85 -1.26 -5.05 118.16 118.71 2kps n LYS 22 Ca 0.11 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.28 2kps n LYS 22 Cb 0.40 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.72 2kps n LYS 22 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2kps h PRO 23 N 0.00 0.00 -2.96 -1.58 0.13 -1.94 -3.42 132.00 122.22 2kps h PRO 23 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kps h PRO 23 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kps h PRO 23 CO 0.00 0.52 0.00 -0.11 -0.23 0.00 0.00 178.00 178.18 2kps n LEU 24 N -4.64 -1.98 0.00 1.56 -0.00 -1.26 -4.76 117.00 105.92 2kps n LEU 24 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2kps n LEU 24 Cb 0.32 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 42.75 2kps n LEU 24 CO 0.17 0.00 0.00 -2.65 -0.00 0.00 0.00 177.39 174.91 2kps n PRO 25 N -0.81 0.00 -4.01 1.96 -0.02 -1.26 -4.83 135.00 126.04 2kps n PRO 25 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 2kps n PRO 25 Cb 0.31 -0.29 0.01 0.00 -0.02 0.00 0.00 33.50 33.51 2kps n PRO 25 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kps n GLU 26 N 0.00 -0.41 -3.23 -0.52 1.02 -1.26 -4.87 120.64 111.37 2kps n GLU 26 Ca 0.00 -0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 56.68 2kps n GLU 26 Cb 0.00 -1.72 -0.06 0.00 -0.02 0.00 0.00 31.44 29.63 2kps n GLU 26 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2kps s VAL 27 N -3.87 5.10 -0.26 2.62 1.01 -1.26 -5.06 120.40 118.68 2kps s VAL 27 Ca 0.37 1.02 -0.05 0.00 0.00 0.00 0.00 61.98 63.32 2kps s VAL 27 Cb -0.20 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2kps s VAL 27 CO 0.76 0.20 0.01 -0.55 0.00 0.00 0.00 175.10 175.52 2kps s SER 28 N 1.04 4.70 -0.12 3.32 0.15 -1.26 -5.10 113.70 116.42 2kps s SER 28 Ca 0.26 -0.57 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 2kps s SER 28 Cb -0.16 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 2kps s SER 28 CO 0.10 -0.10 -0.07 0.68 1.20 0.00 0.00 173.24 175.05 2kps s VAL 29 N 1.48 3.65 -0.19 4.45 -7.23 -1.26 -4.48 120.40 116.82 2kps s VAL 29 Ca 0.04 -0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 59.70 2kps s VAL 29 Cb -0.16 -2.55 -0.08 0.00 0.56 0.00 0.00 36.38 34.14 2kps s VAL 29 CO -0.01 0.53 3.02 0.41 -0.31 0.00 0.00 175.10 178.75 2kps n THR 30 N 3.15 2.99 -4.06 5.32 -1.04 -1.26 -4.85 114.28 114.53 2kps n THR 30 Ca -0.18 -1.93 -0.12 0.00 -2.04 0.00 0.00 64.05 59.78 2kps n THR 30 Cb 0.53 -1.75 -0.11 0.00 -1.82 0.00 0.00 70.33 67.18 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 -0.53 0.48 -0.03 12.58 1.01 -1.26 -4.60 121.20 128.85 2kps s ILE 31 Ca 0.54 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2kps s ILE 31 Cb 0.30 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 42.11 2kps s ILE 31 CO -0.08 -0.47 -0.01 -0.60 0.00 0.00 0.00 174.94 173.79 2kps s ARG 32 N -1.85 0.33 0.63 2.79 6.06 -1.26 -5.15 118.95 120.51 2kps s ARG 32 Ca -0.08 0.04 0.02 0.00 -2.50 0.00 0.00 55.73 53.20 2kps s ARG 32 Cb -0.08 -0.47 0.09 0.00 0.06 0.00 0.00 34.95 34.55 2kps s ARG 32 CO -0.01 -0.10 0.88 0.00 -2.50 0.00 0.00 175.30 173.57 2kps s ALA 33 N 0.85 3.93 0.29 6.12 0.00 -1.26 -4.88 121.76 126.80 2kps s ALA 33 Ca -0.09 -1.64 -0.21 0.00 0.00 0.00 0.00 51.96 50.03 2kps s ALA 33 Cb -0.12 -1.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.96 2kps s ALA 33 CO -0.01 -1.10 0.81 0.71 0.00 0.00 0.00 175.76 176.17 2kps s TYR 34 N -2.92 3.57 0.23 0.00 2.02 -1.26 -4.95 117.35 114.04 2kps s TYR 34 Ca 0.62 1.49 -0.15 0.00 -0.37 0.00 0.00 57.07 58.66 2kps s TYR 34 Cb -0.07 -2.71 0.28 0.00 -0.40 0.00 0.00 41.96 39.06 2kps s TYR 34 CO 0.41 0.21 1.57 -1.35 -1.57 0.00 0.00 175.55 174.82 2kps h PRO 35 N 2.96 -0.04 -0.18 -1.71 0.11 -1.98 -2.08 132.00 129.08 2kps h PRO 35 Ca -0.48 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.66 2kps h PRO 35 Cb 1.19 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2kps h PRO 35 CO 0.65 -0.02 -0.41 0.93 -0.21 0.00 0.00 178.00 178.93 2kps h GLU 36 N -0.04 -0.37 -0.67 1.05 5.08 -1.99 0.85 114.58 118.50 2kps h GLU 36 Ca 0.35 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.93 2kps h GLU 36 Cb 0.61 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2kps h GLU 36 CO -0.88 -0.25 0.53 0.82 -1.00 0.00 0.00 179.01 178.24 2kps h ILE 37 N -0.38 0.53 -0.00 3.13 2.04 -1.80 1.05 117.51 122.07 2kps h ILE 37 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2kps h ILE 37 Cb 0.48 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2kps h ILE 37 CO -0.37 0.00 -0.33 0.18 0.00 0.00 0.00 178.15 177.62 2kps n LEU 38 N -4.10 0.64 0.01 1.44 4.77 0.89 -3.63 117.00 117.01 2kps n LEU 38 Ca 0.13 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 2kps n LEU 38 Cb 0.79 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 2kps n LEU 38 CO 0.35 0.13 0.29 -1.13 -1.33 0.00 0.00 177.39 175.70 2kps h ASN 39 N 0.47 -0.11 -0.95 -1.43 -1.24 0.78 -3.36 115.58 109.75 2kps h ASN 39 Ca 0.00 -0.39 -0.61 0.00 0.71 0.00 0.00 56.30 56.01 2kps h ASN 39 Cb 0.48 0.03 -0.30 0.00 0.73 0.00 0.00 38.32 39.27 2kps h ASN 39 CO 0.00 0.52 0.64 0.59 -1.29 0.00 0.00 177.43 177.90 2kps n ASN 40 N -4.83 6.30 -4.23 1.15 4.13 -1.16 -4.96 115.26 111.66 2kps n ASN 40 Ca -0.06 -3.74 -0.31 0.00 1.68 0.00 0.00 54.58 52.14 2kps n ASN 40 Cb 0.24 -0.88 -0.17 0.00 -1.54 0.00 0.00 39.78 37.44 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 -3.66 2.05 -0.03 3.41 1.98 -1.24 -5.07 118.68 116.12 2kps s LEU 41 Ca 0.61 -0.51 0.05 0.00 -2.89 0.00 0.00 54.13 51.39 2kps s LEU 41 Cb 0.49 -1.34 -0.01 0.00 0.66 0.00 0.00 46.19 45.99 2kps s LEU 41 CO 0.02 0.20 -0.19 0.28 -1.89 0.00 0.00 176.35 174.76 2kps s THR 42 N 0.09 1.58 0.45 3.68 -1.32 -1.26 -4.97 115.64 113.88 2kps s THR 42 Ca -0.10 -0.83 0.29 0.00 -1.21 0.00 0.00 61.69 59.84 2kps s THR 42 Cb -0.15 -1.33 0.48 0.00 -1.51 0.00 0.00 72.50 69.99 2kps s THR 42 CO 0.06 0.45 1.68 0.11 -2.21 0.00 0.00 174.62 174.70 2kps h LYS 43 N 5.95 0.15 -0.24 7.08 1.57 -2.00 1.16 116.57 130.24 2kps h LYS 43 Ca -0.35 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.49 2kps h LYS 43 Cb 1.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2kps h LYS 43 CO 0.48 0.10 0.29 0.93 -0.57 0.00 0.00 179.45 180.68 2kps h GLU 44 N 0.15 0.00 0.18 3.15 5.08 -2.00 -1.62 114.58 119.52 2kps h GLU 44 Ca 0.74 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.80 2kps h GLU 44 Cb 2.34 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.60 2kps h GLU 44 CO -0.32 0.00 -1.45 1.96 -1.00 0.00 0.00 179.01 178.20 2kps h GLN 45 N 0.00 0.38 -6.18 2.33 4.20 0.99 -3.46 115.11 113.36 2kps h GLN 45 Ca 0.11 -0.64 -0.72 0.00 0.06 0.00 0.00 58.65 57.46 2kps h GLN 45 Cb 0.69 0.24 0.03 0.00 0.30 0.00 0.00 27.48 28.74 2kps h GLN 45 CO -0.00 1.31 0.78 -0.89 -0.67 0.00 0.00 178.83 179.36 2kps n ILE 46 N -3.80 0.23 -3.11 2.54 2.08 -0.61 -4.90 119.36 111.78 2kps n ILE 46 Ca -0.21 -0.04 -0.40 0.00 0.56 0.00 0.00 62.75 62.66 2kps n ILE 46 Cb 1.00 -1.13 -0.06 0.00 -0.75 0.00 0.00 39.64 38.70 2kps n ILE 46 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2kps s SER 47 N 2.71 6.71 -0.05 4.38 0.15 -0.61 -5.00 113.70 122.00 2kps s SER 47 Ca 0.94 0.87 0.00 0.00 0.70 0.00 0.00 55.95 58.46 2kps s SER 47 Cb -1.03 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 60.95 2kps s SER 47 CO 0.60 -0.26 -0.02 -0.76 1.20 0.00 0.00 173.24 174.00 2kps s LEU 48 N 1.79 1.14 -0.28 3.45 1.43 -1.26 -0.98 118.68 123.97 2kps s LEU 48 Ca 0.29 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.08 2kps s LEU 48 Cb -0.16 -0.39 0.09 0.00 0.03 0.00 0.00 46.19 45.76 2kps s LEU 48 CO 0.11 -0.09 0.79 0.86 0.23 0.00 0.00 176.35 178.25 2kps s TRP 49 N 1.15 -0.79 -0.04 0.29 -0.00 -1.26 -4.12 118.94 114.17 2kps s TRP 49 Ca -0.08 1.77 0.02 0.00 -0.00 0.00 0.00 56.10 57.82 2kps s TRP 49 Cb -0.14 0.40 -0.03 0.00 -0.00 0.00 0.00 33.47 33.70 2kps s TRP 49 CO -0.01 -0.39 -0.08 0.42 -0.00 0.00 0.00 176.95 176.89 2kps s ILE 50 N 0.82 3.59 -0.52 5.86 1.01 -1.23 -2.29 121.20 128.44 2kps s ILE 50 Ca -0.03 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 2kps s ILE 50 Cb -0.05 -2.49 0.11 0.00 0.01 0.00 0.00 42.46 40.04 2kps s ILE 50 CO -0.08 0.54 0.46 1.51 0.00 0.00 0.00 174.94 177.37 2kps s ASP 51 N -0.98 6.17 -0.34 3.58 -4.77 -1.26 -4.46 116.67 114.61 2kps s ASP 51 Ca 0.14 -1.62 0.08 0.00 -3.30 0.00 0.00 52.55 47.84 2kps s ASP 51 Cb -0.11 -2.20 0.57 0.00 -1.09 0.00 0.00 42.92 40.09 2kps s ASP 51 CO 0.03 -0.78 1.63 0.00 0.70 0.00 0.00 175.17 176.75 2kps n ALA 52 N 5.23 4.69 -2.19 2.11 0.00 -1.25 -4.94 120.51 124.16 2kps n ALA 52 Ca -0.13 -2.99 -0.41 0.00 0.00 0.00 0.00 53.44 49.90 2kps n ALA 52 Cb 0.41 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 2kps n ALA 52 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kps s THR 53 N -3.24 4.10 -0.70 0.00 -1.32 -0.66 -3.44 115.64 110.39 2kps s THR 53 Ca 0.49 1.73 -0.02 0.00 -1.21 0.00 0.00 61.69 62.68 2kps s THR 53 Cb 0.43 -4.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.32 2kps s THR 53 CO 0.04 0.26 0.32 0.61 -2.21 0.00 0.00 174.62 173.64 2kps n GLY 54 N 2.30 0.15 3.48 6.08 0.00 -1.26 -5.03 105.19 110.91 2kps n GLY 54 Ca 0.04 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 2kps n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kps s LYS 55 N -5.13 3.65 0.59 1.61 3.01 -1.22 -5.12 119.74 117.13 2kps s LYS 55 Ca 0.16 -0.53 -0.00 0.00 -1.01 0.00 0.00 55.97 54.59 2kps s LYS 55 Cb -0.07 -2.93 0.04 0.00 -1.01 0.00 0.00 37.83 33.87 2kps s LYS 55 CO 0.19 0.21 0.83 0.00 0.51 0.00 0.00 175.35 177.09 2kps s ALA 56 N 0.46 3.75 0.77 5.17 0.00 -1.26 -4.88 121.76 125.76 2kps s ALA 56 Ca -0.04 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 2kps s ALA 56 Cb -0.14 -2.17 0.06 0.00 0.00 0.00 0.00 23.12 20.87 2kps s ALA 56 CO 0.03 -0.90 1.19 0.08 0.00 0.00 0.00 175.76 176.16 2kps s VAL 57 N -2.88 2.31 0.00 0.00 1.01 -1.26 -4.78 120.40 114.80 2kps s VAL 57 Ca 0.58 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2kps s VAL 57 Cb -0.10 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2kps s VAL 57 CO 0.40 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2kps n GLY 58 N 0.27 0.02 2.76 4.51 0.00 -1.26 -5.01 105.19 106.48 2kps n GLY 58 Ca 0.13 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 2kps n GLY 58 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kps s GLU 59 N -0.05 0.11 -0.01 1.61 -1.05 -1.26 -2.67 118.70 115.38 2kps s GLU 59 Ca 0.00 0.20 -0.08 0.00 -0.15 0.00 0.00 54.97 54.94 2kps s GLU 59 Cb 0.00 -0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.24 2kps s GLU 59 CO 0.00 -0.22 0.16 -1.01 0.95 0.00 0.00 175.26 175.14 2kps s HIS 60 N 1.44 -0.00 0.21 4.83 3.76 -1.25 -5.02 115.29 119.26 2kps s HIS 60 Ca -0.04 -0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.54 2kps s HIS 60 Cb -0.13 -0.02 -0.08 0.00 1.11 0.00 0.00 32.58 33.45 2kps s HIS 60 CO -0.03 -0.28 0.90 0.99 -0.85 0.00 0.00 174.74 175.47 2kps s THR 61 N -1.25 4.18 -0.01 1.30 2.01 -1.26 -4.10 115.64 116.51 2kps s THR 61 Ca -0.13 1.99 0.04 0.00 0.31 0.00 0.00 61.69 63.90 2kps s THR 61 Cb -0.07 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 2kps s THR 61 CO 0.02 0.49 -0.14 0.68 -0.69 0.00 0.00 174.62 174.98 2kps s VAL 62 N -1.08 1.11 -0.02 3.82 -7.23 -0.53 -5.01 120.40 111.47 2kps s VAL 62 Ca 0.40 -0.60 -0.22 0.00 -1.81 0.00 0.00 61.98 59.75 2kps s VAL 62 Cb -0.25 -0.93 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 2kps s VAL 62 CO 0.30 0.32 0.67 -0.54 -0.31 0.00 0.00 175.10 175.54 2kps s LYS 63 N -0.30 4.40 -0.25 4.82 1.02 -1.26 -3.00 119.74 125.17 2kps s LYS 63 Ca 0.05 0.85 -0.29 0.00 0.02 0.00 0.00 55.97 56.60 2kps s LYS 63 Cb -0.06 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2kps s LYS 63 CO -0.00 0.24 1.19 0.42 -0.92 0.00 0.00 175.35 176.28 2kps s ILE 64 N 0.19 4.36 -0.24 2.17 -1.09 -1.26 -4.57 121.20 120.77 2kps s ILE 64 Ca 0.35 1.60 -0.03 0.00 -2.23 0.00 0.00 60.65 60.34 2kps s ILE 64 Cb -0.19 -4.20 0.01 0.00 -1.58 0.00 0.00 42.46 36.51 2kps s ILE 64 CO 0.19 -0.32 2.67 0.00 -1.23 0.00 0.00 174.94 176.24 2kps n TYR 65 N 6.92 0.94 -1.70 3.97 9.36 -0.97 -4.96 117.16 130.72 2kps n TYR 65 Ca 0.13 -1.70 -0.40 0.00 3.32 0.00 0.00 57.90 59.26 2kps n TYR 65 Cb 0.46 -1.19 0.03 0.00 -0.63 0.00 0.00 39.34 38.01 2kps n TYR 65 CO 0.00 0.00 0.00 -2.67 0.22 0.00 0.00 176.86 174.41 2kps n TRP 66 N 1.23 2.01 -3.83 2.98 2.14 -1.26 -4.44 117.44 116.27 2kps n TRP 66 Ca 0.35 0.47 -0.13 0.00 2.07 0.00 0.00 57.50 60.26 2kps n TRP 66 Cb 0.64 -2.34 -0.14 0.00 -0.81 0.00 0.00 31.31 28.67 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 -2.48 0.09 0.02 -2.67 -0.44 -0.16 -5.01 119.66 109.01 2kps s GLN 67 Ca 0.66 0.15 -0.11 0.00 -2.50 0.00 0.00 55.36 53.56 2kps s GLN 67 Cb -0.47 0.00 0.01 0.00 -1.64 0.00 0.00 33.01 30.91 2kps s GLN 67 CO 0.54 -0.04 0.22 -0.48 0.50 0.00 0.00 175.29 176.03 2kps s LEU 68 N 0.24 1.24 0.00 3.68 0.05 -1.26 -1.57 118.68 121.07 2kps s LEU 68 Ca -0.02 -0.19 0.02 0.00 0.05 0.00 0.00 54.13 54.00 2kps s LEU 68 Cb -0.03 0.99 0.13 0.00 -2.05 0.00 0.00 46.19 45.23 2kps s LEU 68 CO -0.01 -0.48 1.03 -0.81 -0.55 0.00 0.00 176.35 175.53 2kps n PRO 69 N 1.05 0.95 -1.72 1.48 -0.04 -1.26 -4.85 135.00 130.60 2kps n PRO 69 Ca -0.21 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.95 2kps n PRO 69 Cb 0.57 -1.03 0.07 0.00 -0.04 0.00 0.00 33.50 33.06 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 -2.00 2.60 -0.31 0.55 0.00 -1.26 -5.01 121.76 116.33 2kps s ALA 70 Ca 0.03 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.81 2kps s ALA 70 Cb 0.01 -3.07 0.46 0.00 0.00 0.00 0.00 23.12 20.52 2kps s ALA 70 CO 0.02 -1.40 1.29 0.41 0.00 0.00 0.00 175.76 176.09 2kps n GLY 71 N -2.53 6.07 3.66 0.00 0.00 -1.26 -5.06 105.19 106.07 2kps n GLY 71 Ca 0.07 -2.33 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 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 -4.33 1.66 -0.12 -0.61 -4.36 -1.26 -5.06 121.20 107.12 2kps s ILE 72 Ca 0.50 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.87 2kps s ILE 72 Cb 0.41 -2.60 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 2kps s ILE 72 CO 0.02 0.00 -0.04 -1.83 0.24 0.00 0.00 174.94 173.33 2kps s GLU 73 N -5.56 3.28 -0.69 0.37 -1.05 -1.26 -5.07 118.70 108.71 2kps s GLU 73 Ca 0.72 -0.50 -0.25 0.00 -0.15 0.00 0.00 54.97 54.79 2kps s GLU 73 Cb -0.07 -2.81 0.04 0.00 -0.44 0.00 0.00 34.13 30.85 2kps s GLU 73 CO 0.55 0.46 1.15 -1.64 0.95 0.00 0.00 175.26 176.73 2kps s MET 74 N -0.23 3.19 -0.18 -4.83 -1.94 -1.26 -4.82 119.30 109.23 2kps s MET 74 Ca 0.04 -0.41 -0.04 0.00 -1.71 0.00 0.00 55.69 53.58 2kps s MET 74 Cb -0.13 -4.18 -0.22 0.00 2.01 0.00 0.00 34.83 32.31 2kps s MET 74 CO 0.02 -1.97 0.11 0.28 -0.01 0.00 0.00 175.02 173.45 2kps n VAL 75 N 6.24 1.66 -4.26 -6.03 0.31 -1.26 -5.04 118.33 109.95 2kps n VAL 75 Ca 0.01 -0.60 -0.19 0.00 -0.01 0.00 0.00 64.34 63.55 2kps n VAL 75 Cb 0.48 -1.62 -0.07 0.00 -0.91 0.00 0.00 33.84 31.72 2kps n VAL 75 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2kps n SER 76 N -3.43 -0.80 -3.34 4.52 7.64 -1.26 -5.07 113.62 111.87 2kps n SER 76 Ca -0.38 -3.16 -0.11 0.00 1.01 0.00 0.00 58.87 56.22 2kps n SER 76 Cb 1.01 1.80 -0.07 0.00 -1.01 0.00 0.00 64.21 65.94 2kps n SER 76 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2kps s ILE 77 N -3.29 -0.56 0.50 0.44 1.10 -1.26 -4.85 121.20 113.28 2kps s ILE 77 Ca 0.39 -0.28 -0.13 0.00 -0.51 0.00 0.00 60.65 60.11 2kps s ILE 77 Cb 0.02 -0.94 -0.07 0.00 0.15 0.00 0.00 42.46 41.62 2kps s ILE 77 CO 0.27 -0.29 0.93 -2.16 -2.11 0.00 0.00 174.94 171.58 2kps s PRO 78 N 2.49 3.82 0.40 3.50 0.04 -1.26 -5.08 135.00 138.92 2kps s PRO 78 Ca 0.10 0.75 0.04 0.00 0.04 0.00 0.00 61.00 61.94 2kps s PRO 78 Cb -0.14 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2kps s PRO 78 CO -0.27 -0.26 0.13 -0.51 0.04 0.00 0.00 177.00 176.13 2kps s ASP 79 N -3.33 2.73 0.01 6.66 1.01 -1.26 -4.43 116.67 118.06 2kps s ASP 79 Ca 0.56 -1.67 -0.05 0.00 0.71 0.00 0.00 52.55 52.10 2kps s ASP 79 Cb -0.10 0.49 -0.01 0.00 1.01 0.00 0.00 42.92 44.31 2kps s ASP 79 CO 0.36 -0.93 0.09 0.54 0.21 0.00 0.00 175.17 175.44 2kps s VAL 80 N -3.22 0.10 0.02 -1.27 0.11 -1.16 -5.01 120.40 109.96 2kps s VAL 80 Ca 0.25 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.50 2kps s VAL 80 Cb 0.03 -0.46 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 2kps s VAL 80 CO 0.15 -0.44 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.53 2kps s THR 81 N -1.58 0.37 0.15 5.04 2.01 -1.26 -1.45 115.64 118.92 2kps s THR 81 Ca -0.14 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 2kps s THR 81 Cb -0.07 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.07 2kps s THR 81 CO 0.00 -0.19 0.33 0.00 -0.69 0.00 0.00 174.62 174.08 2kps n TYR 82 N 2.18 -1.50 -4.28 4.92 0.18 -1.26 -4.96 117.16 112.44 2kps n TYR 82 Ca -0.18 -0.74 -0.26 0.00 1.88 0.00 0.00 57.90 58.60 2kps n TYR 82 Cb 0.57 0.37 -0.09 0.00 -0.38 0.00 0.00 39.34 39.80 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 -2.61 3.28 -0.02 -3.48 2.01 -1.26 -3.74 115.64 109.82 2kps s THR 83 Ca 0.07 -1.66 0.06 0.00 0.31 0.00 0.00 61.69 60.47 2kps s THR 83 Cb -0.02 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 2kps s THR 83 CO 0.05 -0.14 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.86 2kps s LEU 84 N -2.93 2.04 -0.05 4.42 1.43 -1.09 -3.82 118.68 118.68 2kps s LEU 84 Ca 0.26 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 2kps s LEU 84 Cb -0.09 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 2kps s LEU 84 CO 0.16 0.26 -0.25 -1.59 0.23 0.00 0.00 176.35 175.16 2kps s LYS 85 N -0.46 2.42 0.45 1.70 -2.85 -1.03 -4.16 119.74 115.80 2kps s LYS 85 Ca 0.07 -0.91 -0.24 0.00 -1.00 0.00 0.00 55.97 53.88 2kps s LYS 85 Cb -0.09 -2.12 -0.09 0.00 -2.06 0.00 0.00 37.83 33.47 2kps s LYS 85 CO -0.00 0.43 1.19 0.00 0.10 0.00 0.00 175.35 177.07 2kps n ALA 86 N 2.80 0.98 -1.72 0.59 0.00 -1.26 -2.37 120.51 119.52 2kps n ALA 86 Ca -0.17 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 2kps n ALA 86 Cb 0.52 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 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 -0.11 2.79 -2.71 0.00 4.81 -0.89 -4.78 118.16 117.26 2kps n LYS 87 Ca 0.08 1.00 -0.06 0.00 -0.87 0.00 0.00 58.31 58.47 2kps n LYS 87 Cb 0.40 -2.85 0.06 0.00 0.02 0.00 0.00 35.03 32.66 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 3.77 0.44 -1.93 1.64 4.07 -1.26 -4.97 120.64 122.39 2kps n GLU 88 Ca 0.15 -1.27 -0.37 0.00 -0.06 0.00 0.00 57.16 55.61 2kps n GLU 88 Cb 0.35 -0.84 0.03 0.00 -0.06 0.00 0.00 31.44 30.92 2kps n GLU 88 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2kps s ASP 89 N -0.67 5.37 0.00 4.31 1.47 -1.26 -4.87 116.67 121.02 2kps s ASP 89 Ca 0.29 2.57 0.00 0.00 1.18 0.00 0.00 52.55 56.59 2kps s ASP 89 Cb 0.19 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 40.15 2kps s ASP 89 CO -0.15 -1.48 0.79 -0.81 0.68 0.00 0.00 175.17 174.19 2kps n PRO 90 N -1.13 0.82 -1.69 2.11 -0.04 -1.26 -4.80 135.00 129.01 2kps n PRO 90 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 2kps n PRO 90 Cb 0.47 -1.03 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 2kps n PRO 90 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kps n LEU 91 N -0.46 -1.27 0.00 1.53 4.77 -1.26 -4.50 117.00 115.80 2kps n LEU 91 Ca 0.00 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2kps n LEU 91 Cb 0.01 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 2kps n LEU 91 CO 0.00 -0.71 0.00 -0.62 -1.33 0.00 0.00 177.39 174.73 2kps n GLU 92 N -2.27 0.00 0.00 3.23 1.02 -1.26 -4.87 120.64 116.49 2kps n GLU 92 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2kps n GLU 92 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 2kps n GLU 92 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kps n HIS 93 N 0.00 -0.23 0.00 -0.32 -0.00 -1.26 -4.92 115.22 108.49 2kps n HIS 93 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kps n HIS 93 Cb 0.00 0.10 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 2kps n HIS 93 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kps n HIS 94 N 0.00 -0.41 -2.10 1.57 1.44 -1.26 -5.12 115.22 109.34 2kps n HIS 94 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 2kps n HIS 94 Cb 0.00 0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.16 2kps n HIS 94 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kps s HIS 95 N -1.30 2.68 -0.08 -1.40 5.65 -1.26 -4.95 115.29 114.63 2kps s HIS 95 Ca 0.00 0.62 -0.30 0.00 0.25 0.00 0.00 55.06 55.63 2kps s HIS 95 Cb 0.00 -3.78 -0.04 0.00 -1.18 0.00 0.00 32.58 27.57 2kps s HIS 95 CO 0.00 -3.02 1.50 -1.01 -0.65 0.00 0.00 174.74 171.57 2kps s HIS 96 N 2.50 2.35 0.14 3.88 0.09 -1.26 -4.91 115.29 118.08 2kps s HIS 96 Ca 0.68 0.52 -0.14 0.00 -0.00 0.00 0.00 55.06 56.11 2kps s HIS 96 Cb -0.35 -3.76 0.01 0.00 -0.00 0.00 0.00 32.58 28.48 2kps s HIS 96 CO 0.29 -3.03 1.62 1.25 -0.00 0.00 0.00 174.74 174.87 2kps h HIS 97 N 8.91 0.80 0.00 1.40 6.17 -2.04 -3.57 115.15 126.82 2kps h HIS 97 Ca -0.35 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.62 2kps h HIS 97 Cb 1.16 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 30.87 2kps h HIS 97 CO 0.84 0.75 0.00 1.58 0.71 0.00 0.00 177.93 181.81