#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kps s LYS 2 N 0.00 3.16 -0.04 2.12 1.02 -1.26 -5.05 119.74 119.69 2kps s LYS 2 Ca 0.00 1.60 0.01 0.00 0.02 0.00 0.00 55.97 57.60 2kps s LYS 2 Cb 0.00 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.36 2kps s LYS 2 CO 0.00 -1.00 -0.02 0.99 -0.92 0.00 0.00 175.35 174.40 2kps s THR 3 N -1.86 0.36 0.21 2.17 2.01 -1.26 -5.13 115.64 112.14 2kps s THR 3 Ca 0.72 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 2kps s THR 3 Cb -0.24 -0.42 -0.09 0.00 0.01 0.00 0.00 72.50 71.76 2kps s THR 3 CO 0.31 0.19 1.24 -0.76 -0.69 0.00 0.00 174.62 174.91 2kps s LEU 4 N 1.02 4.44 -0.32 4.42 2.01 -1.26 -4.97 118.68 124.03 2kps s LEU 4 Ca -0.10 2.34 -0.29 0.00 0.01 0.00 0.00 54.13 56.09 2kps s LEU 4 Cb -0.14 -3.61 0.01 0.00 0.01 0.00 0.00 46.19 42.46 2kps s LEU 4 CO -0.01 -0.43 1.19 -0.72 1.01 0.00 0.00 176.35 177.39 2kps s TYR 5 N -0.16 2.90 0.03 0.29 1.13 -1.26 -4.90 117.35 115.38 2kps s TYR 5 Ca 0.53 1.01 -0.12 0.00 -1.41 0.00 0.00 57.07 57.08 2kps s TYR 5 Cb -0.35 -3.83 -0.33 0.00 -1.10 0.00 0.00 41.96 36.35 2kps s TYR 5 CO 0.39 -1.27 0.98 0.22 -2.51 0.00 0.00 175.55 173.35 2kps h ASP 6 N 8.72 0.70 -3.87 -0.18 3.58 -1.93 -3.41 116.42 120.03 2kps h ASP 6 Ca -0.23 -0.80 -0.70 0.00 0.42 0.00 0.00 57.03 55.72 2kps h ASP 6 Cb 1.08 -0.23 -0.34 0.00 1.72 0.00 0.00 39.33 41.56 2kps h ASP 6 CO 1.04 1.63 -0.40 -0.76 -2.88 0.00 0.00 179.24 177.87 2kps s LEU 7 N -7.42 5.34 -0.88 2.28 1.43 -1.26 -5.05 118.68 113.12 2kps s LEU 7 Ca -0.09 -2.54 -0.25 0.00 -1.03 0.00 0.00 54.13 50.23 2kps s LEU 7 Cb 0.05 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.41 2kps s LEU 7 CO 0.92 -0.45 1.56 -2.16 0.23 0.00 0.00 176.35 176.44 2kps s PRO 8 N 0.40 3.17 0.12 1.29 0.04 -1.26 -4.13 135.00 134.62 2kps s PRO 8 Ca 0.14 -0.53 -0.23 0.00 0.04 0.00 0.00 61.00 60.42 2kps s PRO 8 Cb -0.21 -4.89 -0.07 0.00 0.04 0.00 0.00 34.50 29.36 2kps s PRO 8 CO -0.04 -2.50 0.68 0.42 0.04 0.00 0.00 177.00 175.61 2kps s ILE 9 N 6.70 4.55 -0.12 0.56 -1.09 -1.26 -5.00 121.20 125.53 2kps s ILE 9 Ca 0.51 1.48 -0.05 0.00 -2.23 0.00 0.00 60.65 60.36 2kps s ILE 9 Cb -0.05 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 2kps s ILE 9 CO 0.02 0.53 0.08 -0.69 -1.23 0.00 0.00 174.94 173.65 2kps s VAL 10 N -1.07 4.98 0.05 2.92 1.01 -1.26 -4.90 120.40 122.13 2kps s VAL 10 Ca 0.33 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.39 2kps s VAL 10 Cb -0.21 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2kps s VAL 10 CO 0.23 0.58 -0.19 -0.76 0.00 0.00 0.00 175.10 174.96 2kps s LEU 11 N -0.70 2.18 0.00 3.92 1.43 -1.26 -3.77 118.68 120.47 2kps s LEU 11 Ca 0.12 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2kps s LEU 11 Cb -0.12 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.25 2kps s LEU 11 CO 0.03 0.11 0.00 -2.11 0.23 0.00 0.00 176.35 174.61 2kps n ARG 12 N 1.81 0.00 0.00 1.70 1.85 -1.26 -4.91 116.66 115.85 2kps n ARG 12 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2kps n ARG 12 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 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 -1.27 0.00 -4.67 2.89 3.02 -1.26 -4.61 115.26 109.37 2kps n ASN 13 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 2kps n ASN 13 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 2kps n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kps s LEU 14 N 0.00 4.14 0.40 3.41 1.43 -1.26 -1.54 118.68 125.25 2kps s LEU 14 Ca 0.00 0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 53.27 2kps s LEU 14 Cb 0.00 -2.40 -0.13 0.00 0.03 0.00 0.00 46.19 43.69 2kps s LEU 14 CO 0.00 -0.04 0.60 -2.65 0.23 0.00 0.00 176.35 174.49 2kps n PRO 15 N 4.45 0.63 0.11 1.29 -0.02 -1.26 -4.78 135.00 135.42 2kps n PRO 15 Ca -0.10 0.23 0.07 0.00 -2.02 0.00 0.00 63.50 61.68 2kps n PRO 15 Cb 0.51 -1.52 0.38 0.00 -0.02 0.00 0.00 33.50 32.85 2kps n PRO 15 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kps n GLU 16 N 0.62 0.09 -0.11 -0.52 1.02 -1.26 -0.14 120.64 120.34 2kps n GLU 16 Ca 0.12 0.58 0.09 0.00 -0.02 0.00 0.00 57.16 57.93 2kps n GLU 16 Cb 0.38 -1.81 0.14 0.00 -0.02 0.00 0.00 31.44 30.13 2kps n GLU 16 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kps n ASP 17 N -1.98 2.87 -4.15 1.62 8.00 -1.26 -4.93 116.55 116.71 2kps n ASP 17 Ca -0.01 -1.84 -0.17 0.00 0.71 0.00 0.00 54.79 53.49 2kps n ASP 17 Cb 0.04 -0.15 -0.12 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.27 2.30 0.18 0.64 2.96 0.81 -1.02 118.68 123.28 2kps s LEU 18 Ca 0.27 -0.64 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 2kps s LEU 18 Cb 0.16 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.42 2kps s LEU 18 CO 0.23 -0.14 0.22 0.68 -1.32 0.00 0.00 176.35 176.03 2kps s VAL 19 N -1.53 0.04 0.48 1.68 -7.23 -1.09 -4.46 120.40 108.30 2kps s VAL 19 Ca -0.02 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 2kps s VAL 19 Cb -0.09 -2.15 -0.06 0.00 0.56 0.00 0.00 36.38 34.65 2kps s VAL 19 CO 0.02 -0.19 0.86 -0.22 -0.31 0.00 0.00 175.10 175.25 2kps s LEU 20 N -3.05 3.65 -0.11 1.32 2.96 -1.26 -3.00 118.68 119.19 2kps s LEU 20 Ca 0.26 1.23 -0.28 0.00 -0.22 0.00 0.00 54.13 55.13 2kps s LEU 20 Cb 0.05 -4.17 -0.25 0.00 0.50 0.00 0.00 46.19 42.31 2kps s LEU 20 CO 0.06 -0.55 0.86 1.05 -1.32 0.00 0.00 176.35 176.45 2kps h GLU 21 N 0.74 0.03 -3.36 1.98 4.11 -1.95 -3.46 114.58 112.68 2kps h GLU 21 Ca -0.47 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 58.82 2kps h GLU 21 Cb 1.19 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.29 2kps h GLU 21 CO 0.63 0.95 -0.29 -1.59 0.07 0.00 0.00 179.01 178.78 2kps s LYS 22 N -2.55 0.77 0.44 1.06 -2.85 -1.26 -5.13 119.74 110.23 2kps s LYS 22 Ca -0.18 -0.52 -0.20 0.00 -1.00 0.00 0.00 55.97 54.07 2kps s LYS 22 Cb -0.02 0.33 -0.15 0.00 -2.06 0.00 0.00 37.83 35.93 2kps s LYS 22 CO 0.70 -0.24 0.00 -2.30 0.10 0.00 0.00 175.35 173.61 2kps n PRO 23 N 0.64 0.00 0.13 1.78 -0.02 -1.26 -4.92 135.00 131.36 2kps n PRO 23 Ca -0.19 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.06 2kps n PRO 23 Cb 0.59 -1.00 -0.16 0.00 -0.02 0.00 0.00 33.50 32.91 2kps n PRO 23 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2kps h LEU 24 N 0.19 0.77 -3.35 2.45 7.12 -1.94 -3.41 115.31 117.14 2kps h LEU 24 Ca -0.39 -0.87 0.00 0.00 0.13 0.00 0.00 57.88 56.75 2kps h LEU 24 Cb 1.45 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 2kps h LEU 24 CO 0.45 1.69 0.00 -2.65 -0.13 0.00 0.00 178.44 177.80 2kps n PRO 25 N -3.68 0.00 -0.70 5.25 -0.02 -1.26 -2.92 135.00 131.67 2kps n PRO 25 Ca -0.17 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.32 2kps n PRO 25 Cb 1.10 -0.32 0.02 0.00 -0.02 0.00 0.00 33.50 34.27 2kps n PRO 25 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2kps n GLU 26 N 0.72 0.10 -3.45 -0.52 4.07 -1.26 -4.71 120.64 115.59 2kps n GLU 26 Ca 0.00 -1.35 -0.30 0.00 -0.06 0.00 0.00 57.16 55.45 2kps n GLU 26 Cb 0.00 -0.47 -0.04 0.00 -0.06 0.00 0.00 31.44 30.87 2kps n GLU 26 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2kps s VAL 27 N -0.22 5.04 0.46 6.31 0.11 -1.15 -5.09 120.40 125.86 2kps s VAL 27 Ca 0.10 0.14 -0.05 0.00 -2.93 0.00 0.00 61.98 59.24 2kps s VAL 27 Cb 0.11 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 2kps s VAL 27 CO -0.04 -0.17 0.77 -0.94 -3.33 0.00 0.00 175.10 171.39 2kps s SER 28 N -2.80 6.29 -0.09 3.54 1.04 -1.26 -5.09 113.70 115.33 2kps s SER 28 Ca 0.44 0.92 -0.13 0.00 0.48 0.00 0.00 55.95 57.67 2kps s SER 28 Cb -0.11 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.80 2kps s SER 28 CO 0.26 -0.54 0.33 0.68 0.98 0.00 0.00 173.24 174.95 2kps s VAL 29 N -2.67 0.02 -0.03 5.02 -7.23 -1.26 -4.69 120.40 109.55 2kps s VAL 29 Ca 0.47 -0.14 0.19 0.00 -1.81 0.00 0.00 61.98 60.69 2kps s VAL 29 Cb -0.10 -0.52 0.33 0.00 0.56 0.00 0.00 36.38 36.65 2kps s VAL 29 CO 0.43 -0.08 1.14 0.41 -0.31 0.00 0.00 175.10 176.69 2kps n THR 30 N 2.41 0.33 -3.88 5.32 -1.04 -1.26 -5.08 114.28 111.08 2kps n THR 30 Ca -0.16 -1.10 -0.36 0.00 -2.04 0.00 0.00 64.05 60.39 2kps n THR 30 Cb 0.57 0.70 -0.06 0.00 -1.82 0.00 0.00 70.33 69.73 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 -0.49 5.48 0.34 12.58 1.09 -1.26 -4.35 121.20 134.59 2kps s ILE 31 Ca 0.27 0.14 0.02 0.00 -1.10 0.00 0.00 60.65 59.98 2kps s ILE 31 Cb 0.30 -3.44 -0.01 0.00 -1.06 0.00 0.00 42.46 38.26 2kps s ILE 31 CO -0.12 0.55 0.08 0.54 -0.10 0.00 0.00 174.94 175.89 2kps n ARG 32 N 1.74 0.79 -3.83 2.79 1.74 -1.26 -5.04 116.66 113.59 2kps n ARG 32 Ca -0.18 -2.74 -0.07 0.00 -0.77 0.00 0.00 57.85 54.09 2kps n ARG 32 Cb 0.54 1.24 0.01 0.00 -1.02 0.00 0.00 32.46 33.23 2kps n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kps s ALA 33 N -2.80 -1.11 0.34 7.54 0.00 -1.26 -4.93 121.76 119.53 2kps s ALA 33 Ca 0.11 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.43 2kps s ALA 33 Cb 0.01 0.72 -0.08 0.00 0.00 0.00 0.00 23.12 23.76 2kps s ALA 33 CO 0.08 -1.02 0.74 0.71 0.00 0.00 0.00 175.76 176.26 2kps s TYR 34 N -2.61 3.39 0.18 0.00 1.51 -1.26 -4.94 117.35 113.64 2kps s TYR 34 Ca 0.16 1.17 -0.23 0.00 -1.01 0.00 0.00 57.07 57.16 2kps s TYR 34 Cb -0.04 -2.51 0.09 0.00 -0.11 0.00 0.00 41.96 39.39 2kps s TYR 34 CO 0.08 0.06 1.57 -1.35 -1.11 0.00 0.00 175.55 174.80 2kps h PRO 35 N 2.05 -0.15 -0.16 -1.71 0.11 -2.02 -1.59 132.00 128.53 2kps h PRO 35 Ca -0.48 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.66 2kps h PRO 35 Cb 1.18 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2kps h PRO 35 CO 0.65 -0.10 -0.22 0.93 -0.21 0.00 0.00 178.00 179.05 2kps h GLU 36 N -0.15 -0.15 -0.98 1.05 5.08 -1.99 0.78 114.58 118.21 2kps h GLU 36 Ca 0.22 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 58.88 2kps h GLU 36 Cb 0.56 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2kps h GLU 36 CO -0.76 -0.10 0.75 0.82 -1.00 0.00 0.00 179.01 178.71 2kps h ILE 37 N -0.16 0.43 -0.01 3.13 2.04 -1.88 1.34 117.51 122.41 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 0.24 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2kps h ILE 37 CO -0.24 0.00 -0.23 0.18 0.00 0.00 0.00 178.15 177.86 2kps n LEU 38 N -4.10 0.85 0.01 1.44 4.77 0.13 -3.59 117.00 116.50 2kps n LEU 38 Ca 0.21 -0.17 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 2kps n LEU 38 Cb 1.08 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.99 2kps n LEU 38 CO 0.38 0.16 0.15 -1.13 -1.33 0.00 0.00 177.39 175.61 2kps h ASN 39 N 0.97 -0.12 -0.92 -1.43 -0.73 0.79 -3.37 115.58 110.77 2kps h ASN 39 Ca 0.00 -0.17 -0.61 0.00 1.87 0.00 0.00 56.30 57.39 2kps h ASN 39 Cb 0.47 0.03 -0.31 0.00 0.27 0.00 0.00 38.32 38.78 2kps h ASN 39 CO 0.00 0.43 0.49 0.59 -0.37 0.00 0.00 177.43 178.58 2kps n ASN 40 N -4.85 6.41 -4.21 1.15 3.02 -1.19 -4.96 115.26 110.63 2kps n ASN 40 Ca -0.04 -3.76 -0.31 0.00 -0.03 0.00 0.00 54.58 50.44 2kps n ASN 40 Cb 0.14 -0.83 -0.17 0.00 -0.61 0.00 0.00 39.78 38.31 2kps n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2kps s LEU 41 N -3.69 2.04 -0.05 3.41 1.98 -1.24 -5.07 118.68 116.06 2kps s LEU 41 Ca 0.60 -0.52 0.05 0.00 -2.89 0.00 0.00 54.13 51.38 2kps s LEU 41 Cb 0.48 -1.33 -0.01 0.00 0.66 0.00 0.00 46.19 46.00 2kps s LEU 41 CO 0.01 0.17 -0.22 0.28 -1.89 0.00 0.00 176.35 174.71 2kps s THR 42 N 0.25 1.77 0.53 3.68 -1.32 -1.26 -4.96 115.64 114.33 2kps s THR 42 Ca -0.15 -0.91 0.41 0.00 -1.21 0.00 0.00 61.69 59.83 2kps s THR 42 Cb -0.17 -1.50 0.62 0.00 -1.51 0.00 0.00 72.50 69.94 2kps s THR 42 CO 0.07 0.50 1.68 0.11 -2.21 0.00 0.00 174.62 174.77 2kps h LYS 43 N 6.10 0.03 -0.03 7.08 1.57 -1.99 1.53 116.57 130.87 2kps h LYS 43 Ca -0.33 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2kps h LYS 43 Cb 1.17 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2kps h LYS 43 CO 0.47 0.02 0.04 0.93 -0.57 0.00 0.00 179.45 180.35 2kps h GLU 44 N 0.03 0.00 0.00 3.15 5.08 -2.00 -2.90 114.58 117.94 2kps h GLU 44 Ca 0.77 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 59.08 2kps h GLU 44 Cb 2.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.17 2kps h GLU 44 CO -0.08 0.00 -0.31 0.37 -1.00 0.00 0.00 179.01 177.99 2kps h GLN 45 N 0.00 0.00 -5.23 2.33 4.15 0.18 -3.47 115.11 113.07 2kps h GLN 45 Ca 0.01 0.00 -0.73 0.00 0.77 0.00 0.00 58.65 58.71 2kps h GLN 45 Cb 0.10 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.82 2kps h GLN 45 CO -0.00 0.60 0.33 -0.89 -1.93 0.00 0.00 178.83 176.94 2kps n ILE 46 N -4.62 0.00 -3.03 2.39 2.08 -1.10 -4.85 119.36 110.23 2kps n ILE 46 Ca -0.11 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.78 2kps n ILE 46 Cb 0.36 -0.22 -0.06 0.00 -0.75 0.00 0.00 39.64 38.97 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 1.31 6.49 -0.05 4.38 0.01 -1.06 -5.01 113.70 119.78 2kps s SER 47 Ca 0.85 0.23 0.02 0.00 1.31 0.00 0.00 55.95 58.37 2kps s SER 47 Cb -1.21 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 62.67 2kps s SER 47 CO 0.61 -0.68 -0.09 -0.76 0.41 0.00 0.00 173.24 172.73 2kps s LEU 48 N 2.92 1.59 -0.28 2.44 1.43 -1.26 -1.61 118.68 123.90 2kps s LEU 48 Ca 0.28 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 52.97 2kps s LEU 48 Cb -0.14 -0.65 0.11 0.00 0.03 0.00 0.00 46.19 45.55 2kps s LEU 48 CO 0.16 0.02 0.88 0.86 0.23 0.00 0.00 176.35 178.50 2kps s TRP 49 N 0.62 -0.71 -0.14 0.29 -0.00 -1.26 -4.20 118.94 113.54 2kps s TRP 49 Ca -0.11 1.51 -0.05 0.00 -0.00 0.00 0.00 56.10 57.44 2kps s TRP 49 Cb -0.14 0.42 -0.04 0.00 -0.00 0.00 0.00 33.47 33.72 2kps s TRP 49 CO 0.02 -0.35 0.05 0.42 -0.00 0.00 0.00 176.95 177.09 2kps s ILE 50 N 1.08 4.75 -0.57 5.86 1.01 -1.25 -2.39 121.20 129.69 2kps s ILE 50 Ca -0.06 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.34 2kps s ILE 50 Cb -0.04 -3.08 0.10 0.00 0.01 0.00 0.00 42.46 39.45 2kps s ILE 50 CO -0.13 0.54 0.66 1.51 0.00 0.00 0.00 174.94 177.52 2kps s ASP 51 N -0.32 6.19 -0.29 3.58 -4.77 -1.26 -4.42 116.67 115.39 2kps s ASP 51 Ca 0.08 -1.39 0.10 0.00 -3.30 0.00 0.00 52.55 48.05 2kps s ASP 51 Cb -0.12 -2.29 0.55 0.00 -1.09 0.00 0.00 42.92 39.98 2kps s ASP 51 CO 0.02 -1.04 1.54 0.00 0.70 0.00 0.00 175.17 176.39 2kps n ALA 52 N 6.16 4.17 -2.01 2.11 0.00 -1.25 -4.91 120.51 124.78 2kps n ALA 52 Ca -0.10 -2.84 -0.41 0.00 0.00 0.00 0.00 53.44 50.10 2kps n ALA 52 Cb 0.43 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 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 -3.13 3.98 -0.84 0.00 -1.32 -0.59 -3.43 115.64 110.31 2kps s THR 53 Ca 0.46 1.77 -0.03 0.00 -1.21 0.00 0.00 61.69 62.69 2kps s THR 53 Cb 0.40 -4.13 0.00 0.00 -1.51 0.00 0.00 72.50 67.27 2kps s THR 53 CO 0.05 0.33 0.34 0.61 -2.21 0.00 0.00 174.62 173.73 2kps n GLY 54 N 1.88 0.03 3.51 6.08 0.00 -1.26 -5.02 105.19 110.41 2kps n GLY 54 Ca 0.01 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -5.16 3.66 0.51 1.61 3.01 -1.22 -5.12 119.74 117.03 2kps s LYS 55 Ca 0.17 -0.50 0.01 0.00 -1.01 0.00 0.00 55.97 54.63 2kps s LYS 55 Cb -0.07 -2.92 0.02 0.00 -1.01 0.00 0.00 37.83 33.84 2kps s LYS 55 CO 0.21 0.27 0.73 0.00 0.51 0.00 0.00 175.35 177.07 2kps s ALA 56 N 0.30 3.82 0.73 5.17 0.00 -1.26 -4.89 121.76 125.63 2kps s ALA 56 Ca -0.03 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 2kps s ALA 56 Cb -0.14 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.89 2kps s ALA 56 CO 0.03 -0.59 1.17 0.28 0.00 0.00 0.00 175.76 176.64 2kps n VAL 57 N -2.24 3.23 0.00 0.00 0.31 -1.26 -4.90 118.33 113.48 2kps n VAL 57 Ca 0.05 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2kps n VAL 57 Cb 0.59 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2kps n VAL 57 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kps n GLY 58 N 0.82 2.98 3.70 2.92 0.00 -1.26 -5.02 105.19 109.33 2kps n GLY 58 Ca 0.14 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.66 4.40 0.02 1.61 4.04 -1.26 -4.31 118.70 119.55 2kps s GLU 59 Ca 0.00 1.64 -0.09 0.00 0.04 0.00 0.00 54.97 56.56 2kps s GLU 59 Cb 0.00 -3.50 0.00 0.00 0.02 0.00 0.00 34.13 30.66 2kps s GLU 59 CO 0.00 -0.35 0.18 -3.38 -1.84 0.00 0.00 175.26 169.87 2kps s HIS 60 N 1.81 0.03 0.26 4.83 -3.43 -1.24 -4.97 115.29 112.57 2kps s HIS 60 Ca 0.55 -0.17 -0.29 0.00 -0.80 0.00 0.00 55.06 54.36 2kps s HIS 60 Cb -0.25 -0.03 -0.09 0.00 -1.43 0.00 0.00 32.58 30.78 2kps s HIS 60 CO 0.24 -0.37 0.94 -0.08 -2.00 0.00 0.00 174.74 173.47 2kps s THR 61 N -1.97 4.11 0.02 -5.38 -1.32 -1.26 -4.09 115.64 105.75 2kps s THR 61 Ca -0.10 2.02 0.04 0.00 -1.21 0.00 0.00 61.69 62.44 2kps s THR 61 Cb -0.04 -4.25 -0.02 0.00 -1.51 0.00 0.00 72.50 66.68 2kps s THR 61 CO -0.01 0.42 -0.12 0.68 -2.21 0.00 0.00 174.62 173.38 2kps s VAL 62 N -1.28 0.93 0.30 5.08 -7.23 -0.79 -5.00 120.40 112.41 2kps s VAL 62 Ca 0.43 -0.74 -0.12 0.00 -1.81 0.00 0.00 61.98 59.74 2kps s VAL 62 Cb -0.24 -0.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.80 2kps s VAL 62 CO 0.30 0.08 0.66 -1.59 -0.31 0.00 0.00 175.10 174.25 2kps s LYS 63 N -0.75 3.87 -0.15 4.82 -2.85 -1.26 -3.40 119.74 120.02 2kps s LYS 63 Ca 0.02 0.45 -0.07 0.00 -1.00 0.00 0.00 55.97 55.37 2kps s LYS 63 Cb -0.06 -2.51 -0.04 0.00 -2.06 0.00 0.00 37.83 33.15 2kps s LYS 63 CO 0.00 0.18 0.09 0.42 0.10 0.00 0.00 175.35 176.15 2kps s ILE 64 N -2.00 5.07 0.05 3.79 1.09 -1.26 -4.39 121.20 123.55 2kps s ILE 64 Ca 0.51 0.06 -0.31 0.00 -1.10 0.00 0.00 60.65 59.80 2kps s ILE 64 Cb -0.11 -3.24 -0.17 0.00 -1.06 0.00 0.00 42.46 37.88 2kps s ILE 64 CO 0.22 0.53 1.47 0.22 -0.10 0.00 0.00 174.94 177.27 2kps h TYR 65 N 5.90 -1.04 -4.54 3.97 3.20 -1.83 -3.49 116.97 119.13 2kps h TYR 65 Ca -0.46 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2kps h TYR 65 Cb 1.19 0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.80 2kps h TYR 65 CO 0.64 -0.65 -0.75 1.87 -1.64 0.00 0.00 178.16 177.63 2kps n TRP 66 N -5.03 -3.68 -3.81 -3.82 -0.00 -1.24 -5.02 117.44 94.84 2kps n TRP 66 Ca -0.14 2.19 -0.13 0.00 -0.00 0.00 0.00 57.50 59.43 2kps n TRP 66 Cb 0.44 -3.14 -0.13 0.00 -0.00 0.00 0.00 31.31 28.48 2kps n TRP 66 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 2kps s GLN 67 N -0.45 0.12 0.03 5.87 2.00 -0.64 -5.03 119.66 121.56 2kps s GLN 67 Ca 0.00 0.22 0.02 0.00 -2.00 0.00 0.00 55.36 53.59 2kps s GLN 67 Cb 0.00 0.00 -0.02 0.00 0.80 0.00 0.00 33.01 33.79 2kps s GLN 67 CO 0.00 -0.06 -0.07 -0.48 -0.50 0.00 0.00 175.29 174.19 2kps s LEU 68 N 0.35 2.18 0.00 3.68 0.05 -1.26 -2.56 118.68 121.12 2kps s LEU 68 Ca -0.02 -0.40 0.29 0.00 0.05 0.00 0.00 54.13 54.04 2kps s LEU 68 Cb -0.04 -0.19 1.57 0.00 -2.05 0.00 0.00 46.19 45.48 2kps s LEU 68 CO -0.01 -0.12 2.03 -0.81 -0.55 0.00 0.00 176.35 176.88 2kps n PRO 69 N 1.94 1.20 -1.09 1.48 -0.04 -1.26 -4.87 135.00 132.36 2kps n PRO 69 Ca -0.20 -0.29 -0.30 0.00 -0.04 0.00 0.00 63.50 62.68 2kps n PRO 69 Cb 0.56 -1.47 0.23 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.64 -0.24 0.55 0.00 -1.26 -5.01 121.76 114.45 2kps s ALA 70 Ca 0.43 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.68 2kps s ALA 70 Cb 0.21 -2.94 0.44 0.00 0.00 0.00 0.00 23.12 20.83 2kps s ALA 70 CO 0.34 -3.45 1.20 0.41 0.00 0.00 0.00 175.76 174.26 2kps n GLY 71 N -0.94 5.50 3.79 0.00 0.00 -1.26 -5.06 105.19 107.22 2kps n GLY 71 Ca 0.11 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 2kps n GLY 71 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kps n ILE 72 N -0.84 0.00 -4.54 -0.61 -5.35 -1.26 -5.12 119.36 101.64 2kps n ILE 72 Ca 0.30 -1.76 -0.33 0.00 -0.27 0.00 0.00 62.75 60.70 2kps n ILE 72 Cb 0.85 -0.66 -0.16 0.00 -1.74 0.00 0.00 39.64 37.93 2kps n ILE 72 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2kps s GLU 73 N -4.73 3.05 0.15 6.28 -6.30 -1.26 -5.11 118.70 110.79 2kps s GLU 73 Ca 0.61 -0.83 -0.31 0.00 -2.50 0.00 0.00 54.97 51.94 2kps s GLU 73 Cb -0.04 -2.50 -0.08 0.00 0.00 0.00 0.00 34.13 31.51 2kps s GLU 73 CO 0.39 -0.05 1.35 -1.64 0.02 0.00 0.00 175.26 175.33 2kps s MET 74 N 0.91 4.35 -0.01 4.30 -1.94 -1.26 -4.87 119.30 120.78 2kps s MET 74 Ca -0.04 2.05 -0.25 0.00 -1.71 0.00 0.00 55.69 55.73 2kps s MET 74 Cb -0.15 -3.23 -0.20 0.00 2.01 0.00 0.00 34.83 33.27 2kps s MET 74 CO -0.04 -0.35 1.29 0.28 -0.01 0.00 0.00 175.02 176.19 2kps h VAL 75 N 4.04 1.37 -3.10 -6.03 2.07 -1.93 -3.48 116.25 109.19 2kps h VAL 75 Ca -0.43 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2kps h VAL 75 Cb 1.21 2.11 -0.10 0.00 -1.52 0.00 0.00 31.29 32.99 2kps h VAL 75 CO 0.82 0.30 0.15 -0.55 0.02 0.00 0.00 177.57 178.31 2kps s SER 76 N -5.72 -0.41 -0.24 0.57 0.15 -1.26 -5.09 113.70 101.71 2kps s SER 76 Ca -0.16 -0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 2kps s SER 76 Cb 0.02 0.62 0.07 0.00 -1.71 0.00 0.00 66.02 65.02 2kps s SER 76 CO 0.68 -1.07 0.02 -0.63 1.20 0.00 0.00 173.24 173.45 2kps s ILE 77 N -3.82 1.07 0.81 6.45 -1.09 -1.26 -4.57 121.20 118.79 2kps s ILE 77 Ca 0.05 -1.10 -0.12 0.00 -2.23 0.00 0.00 60.65 57.26 2kps s ILE 77 Cb -0.02 -1.55 0.18 0.00 -1.58 0.00 0.00 42.46 39.49 2kps s ILE 77 CO -0.06 -0.31 1.10 -0.81 -1.23 0.00 0.00 174.94 173.63 2kps n PRO 78 N 4.82 -0.91 -4.49 2.79 -0.04 -1.26 -5.08 135.00 130.83 2kps n PRO 78 Ca -0.08 -1.89 -0.25 0.00 -0.04 0.00 0.00 63.50 61.24 2kps n PRO 78 Cb 0.44 -1.07 -0.08 0.00 -0.04 0.00 0.00 33.50 32.76 2kps n PRO 78 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kps s ASP 79 N -5.08 2.69 0.01 3.54 1.01 -1.26 -4.65 116.67 112.93 2kps s ASP 79 Ca 0.64 -1.72 -0.04 0.00 0.71 0.00 0.00 52.55 52.14 2kps s ASP 79 Cb -0.02 0.57 -0.01 0.00 1.01 0.00 0.00 42.92 44.47 2kps s ASP 79 CO 0.44 -0.98 0.06 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 -1.22 -4.67 120.40 110.24 2kps s VAL 80 Ca 0.25 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 2kps s VAL 80 Cb 0.02 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 2kps s VAL 80 CO 0.17 -0.43 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.52 2kps s THR 81 N -1.42 0.74 0.27 5.04 2.01 -1.26 -1.89 115.64 119.13 2kps s THR 81 Ca -0.15 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 60.99 2kps s THR 81 Cb -0.09 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 71.76 2kps s THR 81 CO 0.00 -0.06 0.50 0.00 -0.69 0.00 0.00 174.62 174.38 2kps n TYR 82 N 2.13 -1.78 -4.64 4.92 0.18 -1.26 -5.02 117.16 111.68 2kps n TYR 82 Ca -0.18 -1.34 -0.33 0.00 1.88 0.00 0.00 57.90 57.93 2kps n TYR 82 Cb 0.56 0.59 -0.16 0.00 -0.38 0.00 0.00 39.34 39.94 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 -2.45 2.37 0.00 -3.48 2.01 -1.26 -3.61 115.64 109.23 2kps s THR 83 Ca 0.13 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 61.09 2kps s THR 83 Cb -0.03 -1.97 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 2kps s THR 83 CO 0.09 0.53 0.44 -0.76 -0.69 0.00 0.00 174.62 174.24 2kps s LEU 84 N 0.77 4.47 -0.05 4.42 1.43 -1.26 -3.71 118.68 124.75 2kps s LEU 84 Ca -0.07 1.01 0.06 0.00 -1.03 0.00 0.00 54.13 54.09 2kps s LEU 84 Cb -0.16 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 2kps s LEU 84 CO -0.00 0.29 -0.22 -1.59 0.23 0.00 0.00 176.35 175.06 2kps s LYS 85 N -0.93 2.20 0.41 1.70 -2.85 -1.16 -4.28 119.74 114.83 2kps s LYS 85 Ca 0.25 -0.79 -0.26 0.00 -1.00 0.00 0.00 55.97 54.17 2kps s LYS 85 Cb -0.17 -1.90 -0.10 0.00 -2.06 0.00 0.00 37.83 33.60 2kps s LYS 85 CO 0.14 0.34 1.33 0.00 0.10 0.00 0.00 175.35 177.26 2kps n ALA 86 N 2.98 1.56 -1.69 0.59 0.00 -1.26 -2.65 120.51 120.03 2kps n ALA 86 Ca -0.17 0.28 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 2kps n ALA 86 Cb 0.52 -2.31 0.03 0.00 0.00 0.00 0.00 19.45 17.70 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 1.61 -0.50 0.00 4.81 -0.19 -4.84 118.16 119.16 2kps n LYS 87 Ca 0.05 0.58 -0.00 0.00 -0.87 0.00 0.00 58.31 58.08 2kps n LYS 87 Cb 0.39 -2.38 -0.00 0.00 0.02 0.00 0.00 35.03 33.07 2kps n LYS 87 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2kps n GLU 88 N -0.49 0.00 -1.95 1.64 0.28 -1.26 -5.00 120.64 113.86 2kps n GLU 88 Ca 0.09 -0.16 -0.38 0.00 -0.16 0.00 0.00 57.16 56.55 2kps n GLU 88 Cb 0.43 -0.07 0.02 0.00 1.43 0.00 0.00 31.44 33.24 2kps n GLU 88 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2kps s ASP 89 N -0.16 5.72 0.56 -1.84 1.01 -1.26 -4.88 116.67 115.82 2kps s ASP 89 Ca 0.00 2.64 0.31 0.00 0.71 0.00 0.00 52.55 56.20 2kps s ASP 89 Cb 0.00 -2.63 1.46 0.00 1.01 0.00 0.00 42.92 42.76 2kps s ASP 89 CO -0.00 -1.25 1.85 -0.65 0.21 0.00 0.00 175.17 175.33 2kps h PRO 90 N 1.88 0.00 0.00 8.23 0.11 -1.96 0.19 132.00 140.45 2kps h PRO 90 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2kps h PRO 90 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2kps h PRO 90 CO 0.59 0.00 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.22 2kps h LEU 91 N 0.00 0.00 -8.44 2.35 3.38 -1.93 -3.39 115.31 107.28 2kps h LEU 91 Ca 0.36 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.02 2kps h LEU 91 Cb 1.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 2kps h LEU 91 CO -0.00 0.10 1.14 1.21 0.09 0.00 0.00 178.44 180.98 2kps n GLU 92 N -4.04 0.74 0.00 1.13 2.13 0.65 -4.72 120.64 116.53 2kps n GLU 92 Ca -0.02 -0.28 0.00 0.00 0.66 0.00 0.00 57.16 57.51 2kps n GLU 92 Cb 0.18 -3.25 0.00 0.00 0.27 0.00 0.00 31.44 28.64 2kps n GLU 92 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kps n HIS 93 N 15.91 -0.07 -1.62 4.31 8.25 -1.26 -4.65 115.22 136.10 2kps n HIS 93 Ca 0.44 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.54 2kps n HIS 93 Cb 0.45 0.07 0.08 0.00 1.12 0.00 0.00 29.99 31.70 2kps n HIS 93 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kps n HIS 94 N 0.00 1.62 -0.25 4.41 1.44 -1.26 -4.91 115.22 116.27 2kps n HIS 94 Ca 0.00 0.42 -0.07 0.00 -2.01 0.00 0.00 57.72 56.06 2kps n HIS 94 Cb 0.00 -2.22 0.04 0.00 0.12 0.00 0.00 29.99 27.93 2kps n HIS 94 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kps h HIS 95 N 0.30 1.10 -3.16 -1.40 2.76 -1.83 -3.47 115.15 109.45 2kps h HIS 95 Ca -0.50 -0.10 0.03 0.00 -2.20 0.00 0.00 60.37 57.59 2kps h HIS 95 Cb 1.34 -0.32 -0.07 0.00 1.55 0.00 0.00 27.41 29.91 2kps h HIS 95 CO 0.41 0.87 0.14 -3.38 -1.30 0.00 0.00 177.93 174.67 2kps s HIS 96 N -5.44 -0.11 -0.30 5.26 -3.43 -1.26 -5.02 115.29 104.99 2kps s HIS 96 Ca -0.12 -0.29 -0.06 0.00 -0.80 0.00 0.00 55.06 53.79 2kps s HIS 96 Cb 0.14 0.56 0.19 0.00 -1.43 0.00 0.00 32.58 32.04 2kps s HIS 96 CO 0.83 -1.11 0.83 -1.58 -2.00 0.00 0.00 174.74 171.70 2kps s HIS 97 N -3.91 -1.10 0.00 0.38 5.04 -1.26 -5.23 115.29 109.21 2kps s HIS 97 Ca 0.12 0.98 0.00 0.00 -1.54 0.00 0.00 55.06 54.62 2kps s HIS 97 Cb -0.04 0.32 0.00 0.00 0.04 0.00 0.00 32.58 32.90 2kps s HIS 97 CO 0.04 -0.61 0.00 0.72 -2.34 0.00 0.00 174.74 172.55