#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 -4.10 -0.07 3.17 5.02 -1.26 -4.64 118.16 116.29 2kps n LYS 2 Ca 0.00 0.56 0.01 0.00 -2.02 0.00 0.00 58.31 56.86 2kps n LYS 2 Cb 0.00 -5.34 -0.00 0.00 -0.02 0.00 0.00 35.03 29.67 2kps n LYS 2 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2kps n THR 3 N -4.23 0.00 -2.40 -0.18 -2.24 -1.26 -4.66 114.28 99.31 2kps n THR 3 Ca -0.01 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 2kps n THR 3 Cb 0.54 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 2kps n THR 3 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2kps s LEU 4 N 0.00 4.02 0.00 3.22 1.43 -1.26 -4.89 118.68 121.20 2kps s LEU 4 Ca 0.00 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 2kps s LEU 4 Cb 0.00 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.94 2kps s LEU 4 CO 0.00 -0.76 0.00 0.00 0.23 0.00 0.00 176.35 175.82 2kps n TYR 5 N -0.44 0.00 0.24 0.29 9.36 -1.26 -4.83 117.16 120.52 2kps n TYR 5 Ca 0.07 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.39 2kps n TYR 5 Cb 0.49 0.09 0.47 0.00 -0.63 0.00 0.00 39.34 39.76 2kps n TYR 5 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2kps n ASP 6 N 0.00 0.49 -4.02 2.98 8.00 -1.26 -3.71 116.55 119.03 2kps n ASP 6 Ca 0.00 0.68 -0.33 0.00 0.71 0.00 0.00 54.79 55.86 2kps n ASP 6 Cb 0.27 -0.76 -0.10 0.00 -0.02 0.00 0.00 41.12 40.51 2kps n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kps s LEU 7 N -4.21 5.11 -1.14 0.64 1.43 -1.26 -4.73 118.68 114.52 2kps s LEU 7 Ca 0.01 -3.56 -0.22 0.00 -1.03 0.00 0.00 54.13 49.33 2kps s LEU 7 Cb 0.07 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2kps s LEU 7 CO 0.24 -0.18 1.79 -2.16 0.23 0.00 0.00 176.35 176.26 2kps s PRO 8 N -1.07 3.17 0.05 1.29 0.04 -1.24 -4.70 135.00 132.53 2kps s PRO 8 Ca 0.24 -1.27 -0.28 0.00 0.04 0.00 0.00 61.00 59.73 2kps s PRO 8 Cb -0.10 -5.33 -0.05 0.00 0.04 0.00 0.00 34.50 29.06 2kps s PRO 8 CO -0.11 -3.02 0.87 0.42 0.04 0.00 0.00 177.00 175.20 2kps s ILE 9 N 7.64 4.70 -0.07 0.56 1.01 -1.26 -4.70 121.20 129.09 2kps s ILE 9 Ca 0.60 1.86 -0.01 0.00 0.00 0.00 0.00 60.65 63.10 2kps s ILE 9 Cb -0.00 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 2kps s ILE 9 CO 0.05 0.30 0.00 -0.69 0.00 0.00 0.00 174.94 174.60 2kps s VAL 10 N 0.25 4.29 0.13 2.92 1.01 -1.23 -4.73 120.40 123.04 2kps s VAL 10 Ca 0.44 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 62.21 2kps s VAL 10 Cb -0.21 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2kps s VAL 10 CO 0.26 0.56 -0.24 -0.76 0.00 0.00 0.00 175.10 174.92 2kps s LEU 11 N -1.03 2.46 0.00 3.92 2.01 -1.26 -3.66 118.68 121.12 2kps s LEU 11 Ca 0.15 -0.70 0.00 0.00 0.01 0.00 0.00 54.13 53.59 2kps s LEU 11 Cb -0.11 -1.33 0.00 0.00 0.01 0.00 0.00 46.19 44.76 2kps s LEU 11 CO 0.04 0.17 0.00 -2.11 1.01 0.00 0.00 176.35 175.46 2kps n ARG 12 N 0.80 0.00 0.00 1.70 1.85 -1.26 -4.92 116.66 114.83 2kps n ARG 12 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 2kps n ARG 12 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 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 -1.38 0.00 -4.69 2.89 3.02 -1.26 -4.54 115.26 109.31 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 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.48 4.19 0.50 3.41 1.43 -1.26 -3.31 118.68 123.16 2kps s LEU 14 Ca 0.00 0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 53.57 2kps s LEU 14 Cb 0.00 -2.64 -0.11 0.00 0.03 0.00 0.00 46.19 43.47 2kps s LEU 14 CO 0.00 -0.09 0.54 -2.65 0.23 0.00 0.00 176.35 174.39 2kps n PRO 15 N 4.30 0.58 0.18 1.29 -0.02 -1.26 -4.79 135.00 135.28 2kps n PRO 15 Ca -0.07 0.22 0.13 0.00 -2.02 0.00 0.00 63.50 61.76 2kps n PRO 15 Cb 0.51 -1.62 0.66 0.00 -0.02 0.00 0.00 33.50 33.03 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 0.55 0.00 -0.40 -0.52 5.08 -1.96 0.26 114.58 117.59 2kps h GLU 16 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2kps h GLU 16 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2kps h GLU 16 CO 0.49 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.25 2kps n ASP 17 N -2.38 3.45 -4.03 1.42 8.00 -1.26 -4.87 116.55 116.87 2kps n ASP 17 Ca -0.01 -1.98 -0.08 0.00 0.71 0.00 0.00 54.79 53.43 2kps n ASP 17 Cb 0.07 -0.26 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 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 2.35 0.24 0.64 2.96 0.91 -1.84 118.68 122.53 2kps s LEU 18 Ca 0.38 -0.72 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 2kps s LEU 18 Cb 0.22 0.13 -0.02 0.00 0.50 0.00 0.00 46.19 47.02 2kps s LEU 18 CO 0.31 -0.43 0.30 0.68 -1.32 0.00 0.00 176.35 175.89 2kps s VAL 19 N -2.54 0.00 0.07 1.68 -7.23 -1.17 -4.32 120.40 106.89 2kps s VAL 19 Ca -0.05 -1.74 0.09 0.00 -1.81 0.00 0.00 61.98 58.47 2kps s VAL 19 Cb -0.02 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 2kps s VAL 19 CO -0.05 0.00 -0.24 -0.22 -0.31 0.00 0.00 175.10 174.28 2kps s LEU 20 N -3.13 2.36 0.00 1.32 2.96 -1.26 -3.29 118.68 117.63 2kps s LEU 20 Ca 0.32 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2kps s LEU 20 Cb 0.03 -1.35 0.00 0.00 0.50 0.00 0.00 46.19 45.38 2kps s LEU 20 CO 0.13 0.23 0.75 -0.62 -1.32 0.00 0.00 176.35 175.51 2kps n GLU 21 N 1.39 0.48 0.00 1.98 1.02 -1.26 -4.78 120.64 119.48 2kps n GLU 21 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2kps n GLU 21 Cb 0.52 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 2kps n GLU 21 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kps n LYS 22 N 1.30 0.00 0.00 3.49 5.02 -1.26 -4.64 118.16 122.07 2kps n LYS 22 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2kps n LYS 22 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 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 1.70 0.00 -3.55 1.97 -0.02 -1.26 -4.82 135.00 129.03 2kps n PRO 23 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 2kps n PRO 23 Cb 0.00 -1.01 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 2kps n PRO 23 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kps n LEU 24 N -0.51 -0.49 -0.05 2.45 4.77 -1.26 -4.71 117.00 117.20 2kps n LEU 24 Ca 0.00 -0.60 0.25 0.00 -0.03 0.00 0.00 56.01 55.63 2kps n LEU 24 Cb 0.00 -0.82 0.68 0.00 -2.33 0.00 0.00 43.42 40.95 2kps n LEU 24 CO 0.00 0.33 1.22 -0.65 -1.33 0.00 0.00 177.39 176.96 2kps h PRO 25 N 0.22 0.00 -2.28 3.23 0.11 -1.88 -3.26 132.00 128.14 2kps h PRO 25 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2kps h PRO 25 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2kps h PRO 25 CO 0.23 0.00 0.08 -0.85 -0.21 0.00 0.00 178.00 177.25 2kps n GLU 26 N -3.69 0.00 -3.64 1.05 0.28 -1.26 -4.73 120.64 108.65 2kps n GLU 26 Ca 0.14 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.83 2kps n GLU 26 Cb 0.93 -1.08 -0.05 0.00 1.43 0.00 0.00 31.44 32.67 2kps n GLU 26 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2kps s VAL 27 N 1.33 5.14 0.42 3.84 1.01 -1.23 -5.09 120.40 125.81 2kps s VAL 27 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2kps s VAL 27 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2kps s VAL 27 CO 0.00 0.01 0.75 -0.55 0.00 0.00 0.00 175.10 175.30 2kps s SER 28 N -2.47 6.41 -0.09 3.32 0.15 -1.26 -5.09 113.70 114.66 2kps s SER 28 Ca 0.42 1.00 -0.11 0.00 0.70 0.00 0.00 55.95 57.95 2kps s SER 28 Cb -0.12 -2.27 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 2kps s SER 28 CO 0.25 -0.44 0.30 -0.69 1.20 0.00 0.00 173.24 173.85 2kps s VAL 29 N -2.48 0.02 -0.37 4.45 1.01 -1.26 -4.66 120.40 117.11 2kps s VAL 29 Ca 0.49 -0.13 0.13 0.00 0.00 0.00 0.00 61.98 62.47 2kps s VAL 29 Cb -0.10 -0.47 0.44 0.00 0.00 0.00 0.00 36.38 36.24 2kps s VAL 29 CO 0.36 -0.07 0.99 0.41 0.00 0.00 0.00 175.10 176.79 2kps n THR 30 N 2.51 1.44 -4.32 3.92 -1.04 -1.26 -5.08 114.28 110.44 2kps n THR 30 Ca -0.15 -3.83 -0.28 0.00 -2.04 0.00 0.00 64.05 57.75 2kps n THR 30 Cb 0.57 -0.08 -0.11 0.00 -1.82 0.00 0.00 70.33 68.90 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 -3.90 2.90 -0.29 12.58 -1.09 -1.26 -4.26 121.20 125.87 2kps s ILE 31 Ca 0.35 -1.68 -0.07 0.00 -2.23 0.00 0.00 60.65 57.02 2kps s ILE 31 Cb 0.43 -2.39 0.15 0.00 -1.58 0.00 0.00 42.46 39.06 2kps s ILE 31 CO -0.05 -0.04 0.62 -0.60 -1.23 0.00 0.00 174.94 173.65 2kps s ARG 32 N -2.55 0.56 0.00 2.79 3.52 -1.26 -5.10 118.95 116.91 2kps s ARG 32 Ca 0.22 1.29 0.00 0.00 -0.13 0.00 0.00 55.73 57.10 2kps s ARG 32 Cb -0.09 0.73 0.00 0.00 -1.56 0.00 0.00 34.95 34.03 2kps s ARG 32 CO 0.12 -0.33 0.00 0.00 -0.81 0.00 0.00 175.30 174.28 2kps n ALA 33 N 5.44 0.00 -1.96 6.12 0.00 -1.26 -4.84 120.51 124.01 2kps n ALA 33 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 2kps n ALA 33 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 2kps n ALA 33 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kps s TYR 34 N 1.19 3.55 0.37 0.00 1.51 -1.26 -4.91 117.35 117.80 2kps s TYR 34 Ca 0.00 1.59 0.16 0.00 -1.01 0.00 0.00 57.07 57.81 2kps s TYR 34 Cb 0.00 -3.31 1.03 0.00 -0.11 0.00 0.00 41.96 39.57 2kps s TYR 34 CO 0.00 -0.72 1.76 -1.35 -1.11 0.00 0.00 175.55 174.13 2kps h PRO 35 N 4.72 0.45 0.15 -1.71 0.11 -1.97 -0.70 132.00 133.04 2kps h PRO 35 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2kps h PRO 35 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2kps h PRO 35 CO 0.71 0.30 -0.07 0.93 -0.21 0.00 0.00 178.00 179.65 2kps h GLU 36 N 0.46 -0.19 0.00 1.05 5.08 -1.99 0.92 114.58 119.90 2kps h GLU 36 Ca 0.60 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.93 2kps h GLU 36 Cb 1.40 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2kps h GLU 36 CO -0.34 -0.13 -0.23 0.82 -1.00 0.00 0.00 179.01 178.13 2kps h ILE 37 N -0.20 0.63 0.00 3.13 2.04 -1.71 -2.86 117.51 118.54 2kps h ILE 37 Ca -0.02 -1.05 -0.16 0.00 1.00 0.00 0.00 64.86 64.63 2kps h ILE 37 Cb 0.16 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 2kps h ILE 37 CO 0.03 0.23 -1.03 -0.07 0.00 0.00 0.00 178.15 177.30 2kps h LEU 38 N 0.00 0.00 -1.18 1.44 3.38 -0.56 -3.10 115.31 115.29 2kps h LEU 38 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kps h LEU 38 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2kps h LEU 38 CO 0.03 0.64 0.38 0.78 0.09 0.00 0.00 178.44 180.36 2kps h ASN 39 N 0.00 0.85 -0.37 -0.43 2.35 0.11 -2.68 115.58 115.41 2kps h ASN 39 Ca -0.09 -0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.39 2kps h ASN 39 Cb 1.57 -0.21 -0.12 0.00 0.05 0.00 0.00 38.32 39.60 2kps h ASN 39 CO 0.07 0.68 -0.13 0.59 -1.65 0.00 0.00 177.43 176.99 2kps n ASN 40 N -4.37 2.64 -4.30 5.81 3.02 -1.24 -4.99 115.26 111.83 2kps n ASN 40 Ca 0.07 -3.81 -0.32 0.00 -0.03 0.00 0.00 54.58 50.49 2kps n ASN 40 Cb 0.09 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.48 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 -3.29 2.34 0.00 3.41 1.98 -1.01 -5.06 118.68 117.04 2kps s LEU 41 Ca 0.45 -0.44 0.01 0.00 -2.89 0.00 0.00 54.13 51.25 2kps s LEU 41 Cb 0.41 -1.48 0.01 0.00 0.66 0.00 0.00 46.19 45.79 2kps s LEU 41 CO -0.01 0.20 0.06 1.07 -1.89 0.00 0.00 176.35 175.78 2kps n THR 42 N 3.29 0.00 0.02 3.68 5.66 -1.26 -4.94 114.28 120.74 2kps n THR 42 Ca -0.18 -0.70 -0.07 0.00 -3.05 0.00 0.00 64.05 60.04 2kps n THR 42 Cb 0.53 -0.11 -0.13 0.00 -1.55 0.00 0.00 70.33 69.07 2kps n THR 42 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2kps h LYS 43 N 0.00 0.00 0.00 1.09 2.10 -1.96 -3.32 116.57 114.49 2kps h LYS 43 Ca -0.12 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.51 2kps h LYS 43 Cb 0.39 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2kps h LYS 43 CO 0.19 0.73 -0.08 0.93 -2.00 0.00 0.00 179.45 179.21 2kps h GLU 44 N 0.00 0.00 0.10 0.07 4.39 -1.97 -2.69 114.58 114.48 2kps h GLU 44 Ca -0.15 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.27 2kps h GLU 44 Cb 1.88 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.55 2kps h GLU 44 CO 0.10 0.08 -1.20 0.37 -1.16 0.00 0.00 179.01 177.20 2kps h GLN 45 N 0.00 0.56 -6.55 2.33 5.75 -1.99 -3.45 115.11 111.77 2kps h GLN 45 Ca -0.00 -0.74 -0.53 0.00 -0.15 0.00 0.00 58.65 57.23 2kps h GLN 45 Cb 0.43 0.24 0.04 0.00 1.07 0.00 0.00 27.48 29.26 2kps h GLN 45 CO 0.01 1.33 1.00 0.42 -2.65 0.00 0.00 178.83 178.94 2kps s ILE 46 N -3.00 2.56 -1.04 2.39 -1.09 -1.02 -4.93 121.20 115.07 2kps s ILE 46 Ca -0.08 0.25 -0.11 0.00 -2.23 0.00 0.00 60.65 58.47 2kps s ILE 46 Cb 0.06 -3.16 0.24 0.00 -1.58 0.00 0.00 42.46 38.03 2kps s ILE 46 CO 0.92 0.01 1.06 -0.44 -1.23 0.00 0.00 174.94 175.26 2kps s SER 47 N 1.91 7.12 0.00 3.58 0.01 -1.00 -4.98 113.70 120.35 2kps s SER 47 Ca 0.75 -3.23 -0.19 0.00 1.31 0.00 0.00 55.95 54.59 2kps s SER 47 Cb -0.45 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 2kps s SER 47 CO 0.33 -0.45 0.56 -0.76 0.41 0.00 0.00 173.24 173.33 2kps s LEU 48 N -0.40 4.44 -0.28 2.44 1.43 -1.26 -1.52 118.68 123.53 2kps s LEU 48 Ca 0.29 1.13 -0.18 0.00 -1.03 0.00 0.00 54.13 54.34 2kps s LEU 48 Cb -0.09 -2.86 0.08 0.00 0.03 0.00 0.00 46.19 43.36 2kps s LEU 48 CO -0.07 0.16 0.72 0.86 0.23 0.00 0.00 176.35 178.25 2kps s TRP 49 N -0.44 -0.96 -0.17 0.29 -0.00 -1.26 -3.54 118.94 112.86 2kps s TRP 49 Ca 0.29 2.01 -0.06 0.00 -0.00 0.00 0.00 56.10 58.34 2kps s TRP 49 Cb -0.18 0.53 -0.04 0.00 -0.00 0.00 0.00 33.47 33.79 2kps s TRP 49 CO 0.17 -0.47 0.02 0.42 -0.00 0.00 0.00 176.95 177.09 2kps s ILE 50 N 1.31 4.45 -0.75 5.86 1.01 -1.24 -3.53 121.20 128.31 2kps s ILE 50 Ca -0.07 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.21 2kps s ILE 50 Cb -0.05 -2.98 0.09 0.00 0.01 0.00 0.00 42.46 39.53 2kps s ILE 50 CO -0.15 0.48 1.01 -0.62 0.00 0.00 0.00 174.94 175.66 2kps s ASP 51 N 0.35 6.33 -0.60 3.58 2.15 -1.26 -4.54 116.67 122.68 2kps s ASP 51 Ca 0.00 -1.39 -0.00 0.00 0.43 0.00 0.00 52.55 51.59 2kps s ASP 51 Cb -0.13 -2.41 0.48 0.00 -0.30 0.00 0.00 42.92 40.56 2kps s ASP 51 CO 0.01 -1.29 1.94 0.00 -0.17 0.00 0.00 175.17 175.66 2kps n ALA 52 N 7.24 6.10 -2.66 3.66 0.00 -1.26 -4.80 120.51 128.79 2kps n ALA 52 Ca 0.06 -3.43 -0.42 0.00 0.00 0.00 0.00 53.44 49.64 2kps n ALA 52 Cb 0.46 -1.59 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -4.59 4.73 0.00 0.00 -1.32 -1.21 -3.32 115.64 109.93 2kps s THR 53 Ca 0.62 1.99 0.00 0.00 -1.21 0.00 0.00 61.69 63.09 2kps s THR 53 Cb 0.50 -4.28 0.00 0.00 -1.51 0.00 0.00 72.50 67.21 2kps s THR 53 CO 0.01 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 2kps n GLY 54 N 3.10 3.37 3.26 6.08 0.00 -1.26 -5.06 105.19 114.68 2kps n GLY 54 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2kps n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kps n LYS 55 N -1.53 -1.57 -2.67 1.61 4.01 -1.21 -5.03 118.16 111.77 2kps n LYS 55 Ca 0.00 -0.44 -0.05 0.00 -0.51 0.00 0.00 58.31 57.30 2kps n LYS 55 Cb 0.00 -1.66 0.02 0.00 -0.51 0.00 0.00 35.03 32.87 2kps n LYS 55 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kps n ALA 56 N -4.41 -1.02 -1.76 7.82 0.00 -1.26 -4.90 120.51 114.98 2kps n ALA 56 Ca 0.00 -0.77 -0.41 0.00 0.00 0.00 0.00 53.44 52.27 2kps n ALA 56 Cb 0.63 0.61 0.00 0.00 0.00 0.00 0.00 19.45 20.70 2kps n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kps n VAL 57 N -0.32 2.16 0.00 0.00 0.31 -1.26 -4.65 118.33 114.57 2kps n VAL 57 Ca -0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2kps n VAL 57 Cb 0.35 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 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 0.53 0.15 3.01 2.92 0.00 -1.26 -5.00 105.19 105.55 2kps n GLY 58 Ca 0.03 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.30 0.16 0.06 1.61 -1.05 -1.26 -0.12 118.70 117.80 2kps s GLU 59 Ca 0.00 0.56 -0.09 0.00 -0.15 0.00 0.00 54.97 55.29 2kps s GLU 59 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 2kps s GLU 59 CO 0.00 -0.20 0.20 -1.01 0.95 0.00 0.00 175.26 175.19 2kps s HIS 60 N 1.61 0.08 0.25 4.83 3.76 -1.24 -4.98 115.29 119.59 2kps s HIS 60 Ca -0.06 -0.37 -0.20 0.00 -0.15 0.00 0.00 55.06 54.28 2kps s HIS 60 Cb -0.11 -0.03 -0.09 0.00 1.11 0.00 0.00 32.58 33.46 2kps s HIS 60 CO -0.08 -0.47 0.77 -0.08 -0.85 0.00 0.00 174.74 174.02 2kps s THR 61 N -3.02 4.51 -0.02 1.30 -1.32 -1.26 -4.05 115.64 111.78 2kps s THR 61 Ca -0.02 1.36 0.03 0.00 -1.21 0.00 0.00 61.69 61.86 2kps s THR 61 Cb 0.01 -3.87 -0.00 0.00 -1.51 0.00 0.00 72.50 67.13 2kps s THR 61 CO -0.06 0.17 -0.12 0.68 -2.21 0.00 0.00 174.62 173.08 2kps s VAL 62 N -1.57 0.98 0.24 5.08 -7.23 -0.68 -5.00 120.40 112.21 2kps s VAL 62 Ca 0.45 -0.50 -0.10 0.00 -1.81 0.00 0.00 61.98 60.02 2kps s VAL 62 Cb -0.17 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 35.86 2kps s VAL 62 CO 0.21 0.29 0.57 -0.54 -0.31 0.00 0.00 175.10 175.32 2kps s LYS 63 N -0.06 3.81 -0.11 4.82 1.02 -1.26 -3.25 119.74 124.70 2kps s LYS 63 Ca 0.01 0.30 -0.01 0.00 0.02 0.00 0.00 55.97 56.28 2kps s LYS 63 Cb -0.07 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 2kps s LYS 63 CO 0.00 0.29 -0.06 0.42 -0.92 0.00 0.00 175.35 175.09 2kps s ILE 64 N -1.85 3.76 -0.47 2.17 1.09 -1.26 -4.13 121.20 120.51 2kps s ILE 64 Ca 0.48 -0.43 0.06 0.00 -1.10 0.00 0.00 60.65 59.66 2kps s ILE 64 Cb -0.11 -2.60 0.22 0.00 -1.06 0.00 0.00 42.46 38.91 2kps s ILE 64 CO 0.21 0.54 0.51 -1.22 -0.10 0.00 0.00 174.94 174.89 2kps n TYR 65 N 2.94 0.60 -0.95 3.97 4.01 -1.23 -5.01 117.16 121.50 2kps n TYR 65 Ca -0.18 -3.68 -0.30 0.00 -0.16 0.00 0.00 57.90 53.58 2kps n TYR 65 Cb 0.53 -0.25 0.24 0.00 -0.31 0.00 0.00 39.34 39.54 2kps n TYR 65 CO 0.00 0.00 0.00 1.67 -0.46 0.00 0.00 176.86 178.07 2kps s TRP 66 N -1.12 0.57 -0.04 -0.72 -2.14 -1.26 -4.57 118.94 109.66 2kps s TRP 66 Ca 0.34 0.61 -0.03 0.00 2.66 0.00 0.00 56.10 59.68 2kps s TRP 66 Cb 0.11 -3.32 0.01 0.00 -3.10 0.00 0.00 33.47 27.17 2kps s TRP 66 CO -0.12 -3.94 0.09 -1.14 -2.66 0.00 0.00 176.95 169.18 2kps s GLN 67 N -5.24 0.11 0.02 3.25 0.74 -0.57 -4.98 119.66 112.98 2kps s GLN 67 Ca 0.70 0.14 -0.01 0.00 0.05 0.00 0.00 55.36 56.24 2kps s GLN 67 Cb -0.12 0.04 -0.02 0.00 1.10 0.00 0.00 33.01 34.01 2kps s GLN 67 CO 0.57 -0.02 -0.00 -0.48 -0.55 0.00 0.00 175.29 174.81 2kps s LEU 68 N 0.12 2.12 0.00 3.68 0.05 -1.26 -2.37 118.68 121.02 2kps s LEU 68 Ca -0.01 -0.43 0.30 0.00 0.05 0.00 0.00 54.13 54.04 2kps s LEU 68 Cb -0.01 0.19 1.46 0.00 -2.05 0.00 0.00 46.19 45.78 2kps s LEU 68 CO -0.00 -0.30 1.99 -0.81 -0.55 0.00 0.00 176.35 176.68 2kps n PRO 69 N 1.64 0.78 -1.21 1.48 -0.04 -1.26 -4.88 135.00 131.50 2kps n PRO 69 Ca -0.23 -0.17 -0.29 0.00 -0.04 0.00 0.00 63.50 62.76 2kps n PRO 69 Cb 0.55 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.71 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 -2.34 0.97 -0.29 0.55 0.00 -1.26 -5.00 121.76 114.39 2kps s ALA 70 Ca 0.34 -0.56 0.08 0.00 0.00 0.00 0.00 51.96 51.82 2kps s ALA 70 Cb 0.21 -3.04 0.45 0.00 0.00 0.00 0.00 23.12 20.74 2kps s ALA 70 CO 0.43 -2.97 1.27 0.41 0.00 0.00 0.00 175.76 174.91 2kps n GLY 71 N -1.26 5.92 3.94 0.00 0.00 -1.26 -5.05 105.19 107.47 2kps n GLY 71 Ca 0.07 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.66 2kps n GLY 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kps s ILE 72 N -4.14 2.18 -0.19 -0.61 1.10 -1.26 -5.08 121.20 113.19 2kps s ILE 72 Ca 0.48 -0.26 -0.03 0.00 -0.51 0.00 0.00 60.65 60.32 2kps s ILE 72 Cb 0.41 -2.92 -0.02 0.00 0.15 0.00 0.00 42.46 40.08 2kps s ILE 72 CO 0.00 0.00 -0.05 -0.70 -2.11 0.00 0.00 174.94 172.09 2kps s GLU 73 N -5.38 3.47 -0.18 3.50 2.12 -1.26 -5.07 118.70 115.90 2kps s GLU 73 Ca 0.64 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 55.09 2kps s GLU 73 Cb -0.08 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 2kps s GLU 73 CO 0.47 -0.02 1.74 -1.64 -0.54 0.00 0.00 175.26 175.26 2kps s MET 74 N 1.04 3.78 -0.03 4.30 -1.94 -1.26 -4.84 119.30 120.34 2kps s MET 74 Ca 0.01 1.86 -0.24 0.00 -1.71 0.00 0.00 55.69 55.61 2kps s MET 74 Cb -0.15 -4.09 -0.18 0.00 2.01 0.00 0.00 34.83 32.42 2kps s MET 74 CO 0.00 -1.33 1.10 0.28 -0.01 0.00 0.00 175.02 175.06 2kps h VAL 75 N 6.17 1.11 -3.08 -6.03 2.07 -1.98 -3.48 116.25 111.04 2kps h VAL 75 Ca -0.37 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 2kps h VAL 75 Cb 1.18 1.79 -0.10 0.00 -1.52 0.00 0.00 31.29 32.64 2kps h VAL 75 CO 0.99 0.26 0.16 -0.44 0.02 0.00 0.00 177.57 178.56 2kps s SER 76 N -5.55 -0.42 -0.09 0.57 0.01 -1.26 -5.13 113.70 101.82 2kps s SER 76 Ca -0.15 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 56.87 2kps s SER 76 Cb 0.01 0.62 0.03 0.00 0.21 0.00 0.00 66.02 66.88 2kps s SER 76 CO 0.59 -1.06 -0.05 -0.51 0.41 0.00 0.00 173.24 172.62 2kps s ILE 77 N -3.81 0.78 0.72 1.44 -1.16 -1.26 -4.56 121.20 113.34 2kps s ILE 77 Ca 0.05 -0.14 -0.03 0.00 -0.51 0.00 0.00 60.65 60.01 2kps s ILE 77 Cb -0.02 -0.84 0.11 0.00 0.61 0.00 0.00 42.46 42.32 2kps s ILE 77 CO -0.07 0.32 1.00 -2.16 -2.81 0.00 0.00 174.94 171.23 2kps s PRO 78 N 1.72 1.75 0.42 3.50 0.04 -1.26 -5.05 135.00 136.12 2kps s PRO 78 Ca 0.03 -0.87 0.03 0.00 0.04 0.00 0.00 61.00 60.24 2kps s PRO 78 Cb -0.13 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2kps s PRO 78 CO -0.06 -1.43 0.08 0.16 0.04 0.00 0.00 177.00 175.78 2kps s ASP 79 N -4.68 3.13 -0.02 6.66 -4.77 -1.26 -4.45 116.67 111.28 2kps s ASP 79 Ca 0.65 -1.60 -0.07 0.00 -3.30 0.00 0.00 52.55 48.23 2kps s ASP 79 Cb -0.07 0.36 0.01 0.00 -1.09 0.00 0.00 42.92 42.13 2kps s ASP 79 CO 0.45 -0.83 0.16 0.54 0.70 0.00 0.00 175.17 176.19 2kps s VAL 80 N -3.11 0.05 0.04 2.11 0.11 -1.20 -4.89 120.40 113.51 2kps s VAL 80 Ca 0.22 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 2kps s VAL 80 Cb 0.04 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 2kps s VAL 80 CO 0.12 -0.25 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.66 2kps s THR 81 N -0.89 0.68 0.07 5.04 2.01 -1.26 -1.69 115.64 119.60 2kps s THR 81 Ca -0.10 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 60.88 2kps s THR 81 Cb -0.05 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.78 2kps s THR 81 CO 0.01 -0.23 0.23 0.00 -0.69 0.00 0.00 174.62 173.94 2kps n TYR 82 N 1.72 -0.99 -4.17 4.92 9.36 -1.26 -5.04 117.16 121.70 2kps n TYR 82 Ca -0.20 -0.37 -0.32 0.00 3.32 0.00 0.00 57.90 60.33 2kps n TYR 82 Cb 0.55 0.18 -0.08 0.00 -0.63 0.00 0.00 39.34 39.37 2kps n TYR 82 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2kps s THR 83 N -2.58 4.39 0.04 2.97 2.01 -1.26 -3.68 115.64 117.53 2kps s THR 83 Ca 0.05 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.48 2kps s THR 83 Cb -0.01 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 2kps s THR 83 CO 0.02 0.30 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.43 2kps s LEU 84 N -1.83 3.21 -0.09 4.42 1.43 0.83 -4.25 118.68 122.40 2kps s LEU 84 Ca 0.23 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2kps s LEU 84 Cb -0.12 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2kps s LEU 84 CO 0.14 0.24 -0.16 -1.59 0.23 0.00 0.00 176.35 175.21 2kps s LYS 85 N -1.75 2.23 0.57 1.70 -2.85 -1.21 -4.07 119.74 114.37 2kps s LYS 85 Ca 0.20 -0.58 -0.20 0.00 -1.00 0.00 0.00 55.97 54.39 2kps s LYS 85 Cb -0.11 -1.82 -0.05 0.00 -2.06 0.00 0.00 37.83 33.79 2kps s LYS 85 CO 0.11 0.02 1.12 0.00 0.10 0.00 0.00 175.35 176.70 2kps n ALA 86 N 3.94 0.71 -1.59 0.59 0.00 -1.26 -3.07 120.51 119.82 2kps n ALA 86 Ca -0.20 0.07 -0.45 0.00 0.00 0.00 0.00 53.44 52.86 2kps n ALA 86 Cb 0.52 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 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 -0.97 1.37 0.00 0.00 0.00 -0.77 -4.85 118.16 112.94 2kps n LYS 87 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 58.31 58.91 2kps n LYS 87 Cb 0.46 -1.87 0.00 0.00 0.00 0.00 0.00 35.03 33.61 2kps n LYS 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2kps n GLU 88 N 0.85 0.00 -1.40 1.64 1.02 -1.26 -4.98 120.64 116.50 2kps n GLU 88 Ca 0.10 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.94 2kps n GLU 88 Cb 0.31 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.85 2kps n GLU 88 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kps s ASP 89 N -1.00 3.97 0.28 1.62 1.11 -1.26 -4.95 116.67 116.44 2kps s ASP 89 Ca 0.00 1.35 -0.01 0.00 0.18 0.00 0.00 52.55 54.07 2kps s ASP 89 Cb 0.00 -2.05 0.46 0.00 1.07 0.00 0.00 42.92 42.40 2kps s ASP 89 CO 0.00 -2.30 1.89 -0.65 1.18 0.00 0.00 175.17 175.28 2kps h PRO 90 N -1.32 1.09 0.00 8.23 0.11 -2.00 -3.36 132.00 134.75 2kps h PRO 90 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2kps h PRO 90 Cb 1.28 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2kps h PRO 90 CO 0.58 0.72 -0.32 1.28 -0.21 0.00 0.00 178.00 180.04 2kps n LEU 91 N -4.50 0.68 0.10 2.35 4.77 -1.26 -5.08 117.00 114.06 2kps n LEU 91 Ca 0.15 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2kps n LEU 91 Cb 0.20 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2kps n LEU 91 CO 0.32 -0.44 0.00 1.21 -1.33 0.00 0.00 177.39 177.15 2kps n GLU 92 N -3.18 0.00 -3.55 3.23 2.13 -1.26 -5.05 120.64 112.96 2kps n GLU 92 Ca -0.04 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.67 2kps n GLU 92 Cb 0.17 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.83 2kps n GLU 92 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2kps s HIS 93 N -2.00 -0.40 0.00 4.31 5.04 -1.26 -4.26 115.29 116.72 2kps s HIS 93 Ca 0.00 0.60 0.00 0.00 -1.54 0.00 0.00 55.06 54.12 2kps s HIS 93 Cb 0.00 0.47 0.00 0.00 0.04 0.00 0.00 32.58 33.09 2kps s HIS 93 CO 0.00 -0.43 0.00 1.58 -2.34 0.00 0.00 174.74 173.55 2kps n HIS 94 N 0.52 0.00 -0.07 3.88 -0.00 -1.26 -5.01 115.22 113.28 2kps n HIS 94 Ca -0.11 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.96 2kps n HIS 94 Cb 0.59 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.41 2kps n HIS 94 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kps h HIS 95 N 0.00 0.36 -5.68 1.57 -0.00 -2.03 -3.48 115.15 105.89 2kps h HIS 95 Ca 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.27 2kps h HIS 95 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 2kps h HIS 95 CO 0.00 0.48 -0.94 1.58 -0.00 0.00 0.00 177.93 179.05 2kps n HIS 96 N -4.74 -2.65 -2.03 5.26 -0.00 -1.26 -4.84 115.22 104.96 2kps n HIS 96 Ca -0.04 1.14 -0.42 0.00 -0.00 0.00 0.00 57.72 58.40 2kps n HIS 96 Cb 0.19 -2.92 -0.03 0.00 -0.00 0.00 0.00 29.99 27.23 2kps n HIS 96 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kps s HIS 97 N -1.61 2.85 0.00 1.57 -3.43 -1.26 -5.27 115.29 108.14 2kps s HIS 97 Ca 0.09 0.62 0.00 0.00 -0.80 0.00 0.00 55.06 54.97 2kps s HIS 97 Cb -0.02 -3.84 0.00 0.00 -1.43 0.00 0.00 32.58 27.29 2kps s HIS 97 CO 0.57 -3.19 0.00 0.72 -2.00 0.00 0.00 174.74 170.84