#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1k n SER 2 N 0.00 0.62 -3.98 2.55 3.41 -1.26 -4.86 113.62 110.10 1m1k n SER 2 Ca 0.00 0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 59.01 1m1k n SER 2 Cb 0.00 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.27 1m1k n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1m1k s SER 3 N -4.13 0.02 -0.30 4.04 1.04 -1.26 -5.09 113.70 108.02 1m1k s SER 3 Ca 0.11 -0.91 0.16 0.00 0.48 0.00 0.00 55.95 55.78 1m1k s SER 3 Cb 0.14 0.46 0.48 0.00 0.10 0.00 0.00 66.02 67.20 1m1k s SER 3 CO 0.60 -0.94 1.11 -3.20 0.98 0.00 0.00 173.24 171.78 1m1k n ASN 4 N -0.25 2.83 -4.89 7.02 5.15 -1.26 -4.94 115.26 118.92 1m1k n ASN 4 Ca -0.06 -2.81 -0.29 0.00 -0.60 0.00 0.00 54.58 50.83 1m1k n ASN 4 Cb 0.63 -0.45 0.03 0.00 -0.53 0.00 0.00 39.78 39.46 1m1k n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1m1k s GLY 5 N -3.61 1.62 0.51 8.20 0.00 -1.26 -4.96 107.32 107.83 1m1k s GLY 5 Ca 0.36 -0.40 0.22 0.00 0.00 0.00 0.00 44.72 44.90 1m1k s GLY 5 CO -0.02 -0.09 2.02 -2.55 0.00 0.00 0.00 173.10 172.46 1m1k h PRO 6 N -0.40 0.06 -0.47 2.90 0.11 -2.05 -2.16 132.00 129.98 1m1k h PRO 6 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1m1k h PRO 6 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1m1k h PRO 6 CO 0.63 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.73 1m1k n LEU 7 N -4.42 2.72 -4.69 2.35 4.77 -1.26 -4.65 117.00 111.82 1m1k n LEU 7 Ca 0.07 -1.32 -0.42 0.00 -0.03 0.00 0.00 56.01 54.31 1m1k n LEU 7 Cb 0.48 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1m1k n LEU 7 CO 0.36 0.66 1.47 1.21 -1.33 0.00 0.00 177.39 179.76 1m1k n GLU 8 N 0.99 2.78 -2.45 3.23 0.00 -0.82 -2.01 120.64 122.36 1m1k n GLU 8 Ca 0.17 1.01 -0.16 0.00 0.00 0.00 0.00 57.16 58.18 1m1k n GLU 8 Cb 0.44 -2.90 0.00 0.00 0.00 0.00 0.00 31.44 28.98 1m1k n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1m1k n GLY 9 N 4.20 -0.27 0.60 8.31 0.00 -1.26 -4.90 105.19 111.86 1m1k n GLY 9 Ca 0.18 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1m1k n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m1k n THR 10 N -4.07 0.99 -0.22 2.61 -2.24 -0.85 -4.67 114.28 105.83 1m1k n THR 10 Ca -0.16 -1.00 -0.00 0.00 -2.27 0.00 0.00 64.05 60.62 1m1k n THR 10 Cb 0.63 0.51 0.07 0.00 -2.10 0.00 0.00 70.33 69.43 1m1k n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1m1k h ARG 11 N 1.89 0.01 0.52 -0.78 2.43 -1.91 -2.08 114.38 114.46 1m1k h ARG 11 Ca 0.00 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1m1k h ARG 11 Cb 0.71 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1m1k h ARG 11 CO 0.00 0.00 -0.25 0.78 -1.51 0.00 0.00 179.97 178.99 1m1k h GLY 12 N 0.01 -0.73 1.66 2.80 0.00 -1.94 -3.27 103.07 101.59 1m1k h GLY 12 Ca 0.31 0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.95 1m1k h GLY 12 CO -0.66 -0.26 0.13 0.07 0.00 0.00 0.00 176.54 175.82 1m1k h LYS 13 N -1.18 0.00 -0.64 4.80 2.10 -1.86 -2.01 116.57 117.78 1m1k h LYS 13 Ca -0.07 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.29 1m1k h LYS 13 Cb 0.54 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.70 1m1k h LYS 13 CO 0.12 0.00 0.24 1.28 -2.00 0.00 0.00 179.45 179.09 1m1k n LEU 14 N -3.92 5.37 -4.09 7.07 4.77 -0.79 -4.85 117.00 120.55 1m1k n LEU 14 Ca 0.00 -3.54 -0.24 0.00 -0.03 0.00 0.00 56.01 52.20 1m1k n LEU 14 Cb 0.25 -0.72 -0.16 0.00 -2.33 0.00 0.00 43.42 40.46 1m1k n LEU 14 CO 0.29 1.05 -0.48 -0.75 -1.33 0.00 0.00 177.39 176.16 1m1k s LYS 15 N -3.18 1.48 0.35 3.23 2.20 -0.76 -4.77 119.74 118.29 1m1k s LYS 15 Ca 0.51 -0.51 -0.14 0.00 -0.36 0.00 0.00 55.97 55.47 1m1k s LYS 15 Cb 0.43 -1.32 -0.08 0.00 -1.51 0.00 0.00 37.83 35.35 1m1k s LYS 15 CO 0.07 0.21 0.75 -0.80 -0.36 0.00 0.00 175.35 175.22 1m1k s ASN 16 N 0.06 6.70 0.35 1.43 0.02 -1.26 -4.97 114.94 117.27 1m1k s ASN 16 Ca -0.03 1.25 -0.27 0.00 -1.02 0.00 0.00 52.86 52.79 1m1k s ASN 16 Cb -0.10 -2.36 -0.09 0.00 0.02 0.00 0.00 41.25 38.71 1m1k s ASN 16 CO 0.01 -0.27 1.16 -0.54 0.02 0.00 0.00 177.10 177.48 1m1k s LYS 17 N -3.25 4.32 0.40 -0.60 3.01 -1.26 -4.87 119.74 117.49 1m1k s LYS 17 Ca 0.54 1.86 0.29 0.00 -1.01 0.00 0.00 55.97 57.64 1m1k s LYS 17 Cb -0.10 -2.91 1.35 0.00 -1.01 0.00 0.00 37.83 35.16 1m1k s LYS 17 CO 0.21 -0.09 1.42 -2.30 0.51 0.00 0.00 175.35 175.10 1m1k n PRO 18 N 0.57 -0.03 0.20 -1.68 -0.02 -1.26 -0.37 135.00 132.40 1m1k n PRO 18 Ca 0.02 1.15 0.09 0.00 -2.02 0.00 0.00 63.50 62.74 1m1k n PRO 18 Cb 0.45 -2.25 0.13 0.00 -0.02 0.00 0.00 33.50 31.81 1m1k n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m1k h ARG 19 N 0.00 0.00 -0.56 -0.52 3.08 -2.04 -3.08 114.38 111.26 1m1k h ARG 19 Ca 0.80 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.85 1m1k h ARG 19 Cb 2.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.59 1m1k h ARG 19 CO -0.45 0.15 0.00 -0.25 -1.07 0.00 0.00 179.97 178.35 1m1k n ASP 20 N -3.14 3.08 -4.74 7.04 8.00 0.51 -4.93 116.55 122.37 1m1k n ASP 20 Ca 0.03 -2.11 -0.35 0.00 0.71 0.00 0.00 54.79 53.08 1m1k n ASP 20 Cb 0.59 -0.40 0.07 0.00 -0.02 0.00 0.00 41.12 41.36 1m1k n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1m1k s ARG 21 N -1.45 2.50 0.00 -1.24 3.00 -1.17 -4.89 118.95 115.71 1m1k s ARG 21 Ca 0.36 1.77 0.00 0.00 -1.00 0.00 0.00 55.73 56.86 1m1k s ARG 21 Cb 0.20 -1.88 0.00 0.00 0.00 0.00 0.00 34.95 33.28 1m1k s ARG 21 CO 0.22 -1.56 0.00 0.41 0.00 0.00 0.00 175.30 174.37 1m1k n GLY 22 N 0.39 -0.37 1.91 8.12 0.00 -1.26 -4.97 105.19 109.00 1m1k n GLY 22 Ca 0.13 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1m1k n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1m1k n THR 23 N 0.10 0.54 -2.57 2.61 -1.04 -1.26 -4.89 114.28 107.77 1m1k n THR 23 Ca 0.00 -0.13 -0.26 0.00 -2.04 0.00 0.00 64.05 61.62 1m1k n THR 23 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1m1k n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1m1k s SER 24 N -0.27 5.68 0.32 8.00 0.01 -1.26 -5.04 113.70 121.14 1m1k s SER 24 Ca 0.43 0.60 -0.29 0.00 1.31 0.00 0.00 55.95 58.00 1m1k s SER 24 Cb -0.61 -1.67 -0.10 0.00 0.21 0.00 0.00 66.02 63.85 1m1k s SER 24 CO 0.31 -0.95 1.37 -2.84 0.41 0.00 0.00 173.24 171.54 1m1k s PRO 25 N -4.86 4.29 0.38 12.44 0.02 -1.26 -4.94 135.00 141.06 1m1k s PRO 25 Ca 0.52 2.30 0.20 0.00 0.02 0.00 0.00 61.00 64.04 1m1k s PRO 25 Cb -0.10 -3.06 0.61 0.00 0.02 0.00 0.00 34.50 31.97 1m1k s PRO 25 CO 0.43 -0.30 1.70 -1.35 -0.33 0.00 0.00 177.00 177.14 1m1k h PRO 26 N 3.70 0.00 -0.69 5.54 0.11 -1.99 -3.33 132.00 135.34 1m1k h PRO 26 Ca -0.49 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.74 1m1k h PRO 26 Cb 1.23 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 1m1k h PRO 26 CO 0.68 0.35 -0.33 0.37 -0.21 0.00 0.00 178.00 178.86 1m1k h GLN 27 N 0.00 -0.11 0.00 1.05 5.75 -1.99 0.20 115.11 120.00 1m1k h GLN 27 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1m1k h GLN 27 Cb 0.96 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.54 1m1k h GLN 27 CO 0.05 -0.07 0.00 2.89 -2.65 0.00 0.00 178.83 179.04 1m1k n ARG 28 N -5.45 0.07 0.00 1.69 1.85 -1.25 -2.10 116.66 111.47 1m1k n ARG 28 Ca 0.06 0.17 0.13 0.00 -1.00 0.00 0.00 57.85 57.21 1m1k n ARG 28 Cb 0.37 -1.60 0.47 0.00 -1.05 0.00 0.00 32.46 30.65 1m1k n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1m1k n ALA 29 N -1.58 2.91 0.10 2.89 0.00 0.02 -3.34 120.51 121.51 1m1k n ALA 29 Ca 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 53.44 53.13 1m1k n ALA 29 Cb 0.29 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 1m1k n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1m1k n VAL 30 N -0.60 0.00 -1.33 0.00 0.31 -0.89 -4.35 118.33 111.46 1m1k n VAL 30 Ca 0.14 -0.46 -0.41 0.00 -0.01 0.00 0.00 64.34 63.61 1m1k n VAL 30 Cb 0.33 1.01 0.01 0.00 -0.91 0.00 0.00 33.84 34.27 1m1k n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1m1k n GLU 31 N -0.84 0.16 -5.12 5.55 4.07 -1.01 -4.96 120.64 118.49 1m1k n GLU 31 Ca 0.01 0.06 -0.32 0.00 -0.06 0.00 0.00 57.16 56.85 1m1k n GLU 31 Cb 0.04 -1.17 -0.16 0.00 -0.06 0.00 0.00 31.44 30.09 1m1k n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1m1k s GLU 32 N -1.23 2.89 0.18 5.31 0.41 -1.26 -4.82 118.70 120.18 1m1k s GLU 32 Ca 0.60 -0.84 0.11 0.00 -0.41 0.00 0.00 54.97 54.44 1m1k s GLU 32 Cb -0.57 -2.32 -0.04 0.00 -1.78 0.00 0.00 34.13 29.41 1m1k s GLU 32 CO 0.62 0.30 -0.20 -0.06 -0.49 0.00 0.00 175.26 175.42 1m1k s PHE 33 N 0.07 2.40 0.13 1.61 0.40 -1.26 -5.14 117.98 116.19 1m1k s PHE 33 Ca -0.09 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1m1k s PHE 33 Cb -0.15 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 1m1k s PHE 33 CO 0.06 0.48 0.22 -0.51 0.70 0.00 0.00 175.22 176.17 1m1k s ASP 34 N -2.63 6.06 0.21 1.36 1.01 -1.26 -5.04 116.67 116.39 1m1k s ASP 34 Ca 0.21 0.09 -0.32 0.00 0.71 0.00 0.00 52.55 53.25 1m1k s ASP 34 Cb -0.08 -1.76 -0.12 0.00 1.01 0.00 0.00 42.92 41.97 1m1k s ASP 34 CO 0.11 0.09 1.71 -1.81 0.21 0.00 0.00 175.17 175.48 1m1k s ASP 35 N -3.01 6.38 0.00 0.27 1.01 -1.26 -1.47 116.67 118.59 1m1k s ASP 35 Ca 0.33 2.87 0.00 0.00 0.71 0.00 0.00 52.55 56.47 1m1k s ASP 35 Cb -0.11 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1m1k s ASP 35 CO 0.27 -0.97 0.00 0.61 0.21 0.00 0.00 175.17 175.29 1m1k n GLY 36 N 3.86 2.78 3.76 0.21 0.00 0.29 -4.98 105.19 111.11 1m1k n GLY 36 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1m1k n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m1k s GLU 37 N -0.48 4.49 0.05 1.61 2.02 -0.54 -4.66 118.70 121.20 1m1k s GLU 37 Ca 0.00 1.98 -0.25 0.00 0.02 0.00 0.00 54.97 56.72 1m1k s GLU 37 Cb 0.00 -3.16 -0.06 0.00 0.10 0.00 0.00 34.13 31.01 1m1k s GLU 37 CO 0.00 -0.03 0.78 0.15 0.02 0.00 0.00 175.26 176.18 1m1k s LYS 38 N -1.18 4.51 -0.01 1.61 -0.14 -1.26 -0.45 119.74 122.81 1m1k s LYS 38 Ca 0.49 1.09 -0.01 0.00 -1.36 0.00 0.00 55.97 56.18 1m1k s LYS 38 Cb -0.35 -3.36 0.01 0.00 -1.68 0.00 0.00 37.83 32.45 1m1k s LYS 38 CO 0.44 0.29 0.03 0.14 -0.76 0.00 0.00 175.35 175.49 1m1k s VAL 39 N -0.10 -0.02 -0.14 3.17 -7.23 -0.76 -1.78 120.40 113.55 1m1k s VAL 39 Ca 0.39 0.06 -0.25 0.00 -1.81 0.00 0.00 61.98 60.37 1m1k s VAL 39 Cb -0.21 -0.06 -0.02 0.00 0.56 0.00 0.00 36.38 36.66 1m1k s VAL 39 CO 0.23 0.02 0.81 -1.00 -0.31 0.00 0.00 175.10 174.85 1m1k s HIS 40 N 0.30 3.46 -0.16 2.82 3.76 0.40 -1.29 115.29 124.58 1m1k s HIS 40 Ca -0.02 1.27 -0.22 0.00 -0.15 0.00 0.00 55.06 55.94 1m1k s HIS 40 Cb -0.04 -2.97 -0.03 0.00 1.11 0.00 0.00 32.58 30.65 1m1k s HIS 40 CO -0.01 -0.16 0.65 -0.51 -0.85 0.00 0.00 174.74 173.86 1m1k s LEU 41 N 1.82 4.19 -0.27 0.89 1.02 -0.09 -2.39 118.68 123.85 1m1k s LEU 41 Ca 0.38 0.94 -0.03 0.00 0.02 0.00 0.00 54.13 55.44 1m1k s LEU 41 Cb -0.17 -2.95 0.16 0.00 0.02 0.00 0.00 46.19 43.25 1m1k s LEU 41 CO 0.14 -0.23 0.53 -0.75 0.02 0.00 0.00 176.35 176.06 1m1k s LYS 42 N 1.60 0.48 0.42 1.70 2.47 -0.84 -0.50 119.74 125.08 1m1k s LYS 42 Ca 0.31 0.94 -0.26 0.00 -1.56 0.00 0.00 55.97 55.41 1m1k s LYS 42 Cb -0.16 0.29 -0.09 0.00 -1.46 0.00 0.00 37.83 36.41 1m1k s LYS 42 CO 0.12 -0.53 1.35 0.42 0.16 0.00 0.00 175.35 176.87 1m1k s ILE 43 N 2.75 2.43 -0.36 5.43 1.01 -1.26 -4.49 121.20 126.71 1m1k s ILE 43 Ca 0.13 0.39 -0.15 0.00 0.00 0.00 0.00 60.65 61.01 1m1k s ILE 43 Cb -0.14 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1m1k s ILE 43 CO -0.18 0.06 0.34 -0.62 0.00 0.00 0.00 174.94 174.53 1m1k s ASP 44 N -0.65 6.15 0.38 3.58 -1.08 -1.26 -4.96 116.67 118.82 1m1k s ASP 44 Ca 0.58 -0.38 0.16 0.00 -0.52 0.00 0.00 52.55 52.39 1m1k s ASP 44 Cb -0.40 -2.18 1.05 0.00 -1.46 0.00 0.00 42.92 39.92 1m1k s ASP 44 CO 0.51 -0.35 1.76 -0.65 0.52 0.00 0.00 175.17 176.96 1m1k h PRO 45 N 8.51 0.43 0.00 4.34 0.11 -1.89 -0.78 132.00 142.73 1m1k h PRO 45 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1m1k h PRO 45 Cb 1.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1m1k h PRO 45 CO 0.69 0.29 0.00 0.43 -0.21 0.00 0.00 178.00 179.20 1m1k n SER 46 N -4.69 0.74 -4.25 -2.05 7.64 -1.26 -4.65 113.62 105.10 1m1k n SER 46 Ca 0.26 0.60 -0.38 0.00 1.01 0.00 0.00 58.87 60.36 1m1k n SER 46 Cb 0.84 -0.79 -0.12 0.00 -1.01 0.00 0.00 64.21 63.14 1m1k n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1m1k s VAL 47 N -3.16 3.77 0.20 0.44 1.01 -0.30 -4.74 120.40 117.63 1m1k s VAL 47 Ca 0.09 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 60.65 1m1k s VAL 47 Cb 0.12 -3.24 0.13 0.00 0.00 0.00 0.00 36.38 33.39 1m1k s VAL 47 CO 0.53 -0.32 1.75 -0.65 0.00 0.00 0.00 175.10 176.41 1m1k h PRO 48 N 8.23 1.15 -6.76 2.72 0.11 -1.82 -3.43 132.00 132.19 1m1k h PRO 48 Ca -0.22 -0.24 -0.43 0.00 0.11 0.00 0.00 66.00 65.22 1m1k h PRO 48 Cb 1.08 -0.17 0.04 0.00 0.11 0.00 0.00 31.00 32.06 1m1k h PRO 48 CO 0.65 0.96 -0.08 -0.80 -0.21 0.00 0.00 178.00 178.52 1m1k s ASN 49 N -6.37 5.34 -0.92 -2.05 0.01 -1.26 -4.43 114.94 105.25 1m1k s ASN 49 Ca -0.12 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 51.93 1m1k s ASN 49 Cb 0.15 -0.82 0.00 0.00 0.41 0.00 0.00 41.25 40.99 1m1k s ASN 49 CO 0.84 -1.07 0.00 0.61 -1.51 0.00 0.00 177.10 175.97 1m1k n GLY 50 N -2.25 1.04 3.90 0.66 0.00 -1.26 -4.89 105.19 102.39 1m1k n GLY 50 Ca 0.08 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1m1k n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m1k s ARG 51 N -2.61 2.39 0.23 1.61 0.52 -1.26 -2.45 118.95 117.38 1m1k s ARG 51 Ca 0.00 0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 1m1k s ARG 51 Cb 0.00 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.39 1m1k s ARG 51 CO 0.00 -1.27 0.04 -0.59 0.02 0.00 0.00 175.30 173.50 1m1k s PHE 52 N -3.41 1.49 0.04 -0.53 -0.12 -1.26 -4.78 117.98 109.41 1m1k s PHE 52 Ca 0.60 -1.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.12 1m1k s PHE 52 Cb -0.11 -0.87 -0.09 0.00 -0.63 0.00 0.00 43.02 41.32 1m1k s PHE 52 CO 0.49 -0.20 1.95 -1.58 -0.05 0.00 0.00 175.22 175.82 1m1k s HIS 53 N -3.61 1.39 0.50 3.49 5.65 -1.26 -4.80 115.29 116.65 1m1k s HIS 53 Ca 0.32 -0.40 0.34 0.00 0.25 0.00 0.00 55.06 55.56 1m1k s HIS 53 Cb 0.07 -4.23 1.16 0.00 -1.18 0.00 0.00 32.58 28.40 1m1k s HIS 53 CO 0.10 -5.47 1.24 -2.30 -0.65 0.00 0.00 174.74 167.66 1m1k n PRO 54 N 7.33 0.01 0.28 2.88 -0.02 -1.26 0.32 135.00 144.54 1m1k n PRO 54 Ca 0.20 0.91 0.13 0.00 -2.02 0.00 0.00 63.50 62.72 1m1k n PRO 54 Cb 0.41 -2.18 0.82 0.00 -0.02 0.00 0.00 33.50 32.53 1m1k n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m1k h ARG 55 N 0.00 0.00 -0.07 -0.52 3.08 -1.89 -2.32 114.38 112.66 1m1k h ARG 55 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.68 1m1k h ARG 55 Cb 2.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.98 1m1k h ARG 55 CO -0.01 0.05 0.00 1.19 -1.07 0.00 0.00 179.97 180.13 1m1k n PHE 56 N -3.85 0.07 -1.67 3.04 3.72 0.15 -4.87 117.46 114.05 1m1k n PHE 56 Ca -0.03 -0.04 -0.46 0.00 -0.05 0.00 0.00 57.45 56.88 1m1k n PHE 56 Cb 0.14 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1m1k n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1m1k n ASP 57 N 0.21 3.22 0.00 4.37 2.03 -0.88 -1.52 116.55 123.98 1m1k n ASP 57 Ca 0.18 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.56 1m1k n ASP 57 Cb 0.34 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 1m1k n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1m1k n GLY 58 N 3.59 1.79 3.74 0.27 0.00 0.35 -5.02 105.19 109.91 1m1k n GLY 58 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1m1k n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m1k s GLN 59 N -0.96 2.16 -0.30 1.61 -1.52 -0.58 -4.77 119.66 115.31 1m1k s GLN 59 Ca 0.00 1.46 0.00 0.00 -1.95 0.00 0.00 55.36 54.88 1m1k s GLN 59 Cb 0.00 -1.87 0.09 0.00 -0.22 0.00 0.00 33.01 31.02 1m1k s GLN 59 CO 0.00 -1.76 0.07 0.99 -0.25 0.00 0.00 175.29 174.35 1m1k s THR 60 N -2.44 1.16 0.07 -0.19 2.01 -1.26 -0.91 115.64 114.07 1m1k s THR 60 Ca 0.67 -1.51 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1m1k s THR 60 Cb -0.22 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.47 1m1k s THR 60 CO 0.49 -0.59 0.09 0.61 -0.69 0.00 0.00 174.62 174.53 1m1k n GLY 61 N 4.74 1.93 3.11 4.40 0.00 -0.41 -4.84 105.19 114.13 1m1k n GLY 61 Ca -0.02 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 1m1k n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m1k s THR 62 N 0.59 1.97 0.09 2.61 2.01 -0.62 -1.83 115.64 120.46 1m1k s THR 62 Ca 0.07 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 60.87 1m1k s THR 62 Cb -0.01 -1.78 -0.09 0.00 0.01 0.00 0.00 72.50 70.64 1m1k s THR 62 CO 0.04 0.53 1.70 -0.69 -0.69 0.00 0.00 174.62 175.51 1m1k s VAL 63 N 1.22 2.85 -0.45 3.82 1.01 0.40 -1.57 120.40 127.69 1m1k s VAL 63 Ca 0.02 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.40 1m1k s VAL 63 Cb -0.14 -3.22 0.20 0.00 0.00 0.00 0.00 36.38 33.22 1m1k s VAL 63 CO -0.10 0.00 0.43 -0.62 0.00 0.00 0.00 175.10 174.81 1m1k n GLU 64 N 5.52 0.64 0.00 2.72 -0.58 -0.34 0.11 120.64 128.70 1m1k n GLU 64 Ca 0.16 -3.40 0.00 0.00 -0.42 0.00 0.00 57.16 53.51 1m1k n GLU 64 Cb 0.40 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1m1k n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1m1k n GLY 65 N 2.19 -1.21 3.23 0.62 0.00 -1.26 -4.65 105.19 104.12 1m1k n GLY 65 Ca 0.26 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 1m1k n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m1k s LYS 66 N -1.31 1.19 -0.21 1.61 -2.85 -1.26 -1.54 119.74 115.36 1m1k s LYS 66 Ca 0.00 -1.55 -0.03 0.00 -1.00 0.00 0.00 55.97 53.40 1m1k s LYS 66 Cb 0.00 0.29 0.07 0.00 -2.06 0.00 0.00 37.83 36.12 1m1k s LYS 66 CO 0.00 -0.39 0.04 -1.14 0.10 0.00 0.00 175.35 173.96 1m1k s GLN 67 N -4.12 0.67 5.37 1.78 0.74 0.14 -4.85 119.66 119.39 1m1k s GLN 67 Ca 0.34 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.24 1m1k s GLN 67 Cb 0.06 -2.08 0.00 0.00 1.10 0.00 0.00 33.01 32.09 1m1k s GLN 67 CO 0.10 -0.69 0.00 0.41 -0.55 0.00 0.00 175.29 174.55 1m1k n GLY 68 N 5.03 1.80 0.13 2.59 0.00 -1.26 -1.84 105.19 111.64 1m1k n GLY 68 Ca -0.08 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.41 1m1k n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1m1k h ASP 69 N 8.06 0.00 -4.18 1.61 3.32 -2.00 -3.46 116.42 119.76 1m1k h ASP 69 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1m1k h ASP 69 Cb 0.00 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.69 1m1k h ASP 69 CO 0.00 0.27 0.39 0.00 -1.72 0.00 0.00 179.24 178.17 1m1k s ALA 70 N -3.13 2.20 0.26 3.45 0.00 -0.77 -4.79 121.76 118.98 1m1k s ALA 70 Ca 0.01 0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.82 1m1k s ALA 70 Cb 0.08 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1m1k s ALA 70 CO 0.77 -1.73 0.27 0.71 0.00 0.00 0.00 175.76 175.79 1m1k s TYR 71 N -2.08 3.21 -0.30 0.00 1.51 0.54 -0.69 117.35 119.54 1m1k s TYR 71 Ca 0.72 -0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 56.65 1m1k s TYR 71 Cb -0.27 -1.52 0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1m1k s TYR 71 CO 0.44 0.44 0.02 0.15 -1.11 0.00 0.00 175.55 175.48 1m1k s LYS 72 N -3.92 2.57 -0.11 -0.62 1.02 -0.59 -0.85 119.74 117.23 1m1k s LYS 72 Ca 0.35 -1.18 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 1m1k s LYS 72 Cb -0.08 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 1m1k s LYS 72 CO 0.27 -0.58 -0.06 0.08 -0.92 0.00 0.00 175.35 174.14 1m1k s VAL 73 N 1.31 3.75 -0.16 3.17 1.01 0.11 -1.20 120.40 128.39 1m1k s VAL 73 Ca -0.03 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1m1k s VAL 73 Cb -0.19 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1m1k s VAL 73 CO -0.01 0.55 0.34 -1.81 0.00 0.00 0.00 175.10 174.17 1m1k s ASP 74 N -0.20 6.47 0.27 3.32 1.01 -0.61 0.79 116.67 127.73 1m1k s ASP 74 Ca 0.03 0.55 0.02 0.00 0.71 0.00 0.00 52.55 53.86 1m1k s ASP 74 Cb -0.13 -2.21 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 1m1k s ASP 74 CO 0.03 0.06 0.12 0.27 0.21 0.00 0.00 175.17 175.85 1m1k s ILE 75 N 0.63 0.45 -0.21 0.77 -4.36 0.36 -1.59 121.20 117.25 1m1k s ILE 75 Ca 0.18 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.59 1m1k s ILE 75 Cb -0.14 -2.58 0.04 0.00 1.25 0.00 0.00 42.46 41.03 1m1k s ILE 75 CO 0.05 0.00 -0.13 -0.69 0.24 0.00 0.00 174.94 174.41 1m1k s VAL 76 N -3.72 1.91 -0.57 8.37 1.01 -1.26 -0.58 120.40 125.56 1m1k s VAL 76 Ca 0.37 -1.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 1m1k s VAL 76 Cb 0.07 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.58 1m1k s VAL 76 CO 0.15 0.21 0.85 -0.62 0.00 0.00 0.00 175.10 175.68 1m1k s ASP 77 N 1.28 6.25 0.90 3.32 -1.08 0.68 -4.77 116.67 123.23 1m1k s ASP 77 Ca -0.02 -0.78 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 1m1k s ASP 77 Cb -0.16 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1m1k s ASP 77 CO -0.09 -1.19 0.00 0.61 0.52 0.00 0.00 175.17 175.02 1m1k n GLY 78 N 5.21 0.98 0.02 2.66 0.00 -1.26 0.09 105.19 112.88 1m1k n GLY 78 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1m1k n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m1k n GLY 79 N 0.00 -1.36 3.86 -0.02 0.00 -1.26 -5.01 105.19 101.40 1m1k n GLY 79 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1m1k n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m1k s LYS 80 N -0.07 3.60 0.16 1.61 2.20 0.11 -5.07 119.74 122.29 1m1k s LYS 80 Ca 0.00 0.03 -0.28 0.00 -0.36 0.00 0.00 55.97 55.36 1m1k s LYS 80 Cb 0.00 -3.21 -0.08 0.00 -1.51 0.00 0.00 37.83 33.04 1m1k s LYS 80 CO 0.01 0.74 0.86 -2.00 -0.36 0.00 0.00 175.35 174.60 1m1k s GLU 81 N -0.99 4.68 -0.02 4.03 2.12 -1.26 0.25 118.70 127.50 1m1k s GLU 81 Ca 0.17 1.31 -0.10 0.00 0.36 0.00 0.00 54.97 56.72 1m1k s GLU 81 Cb -0.13 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.96 1m1k s GLU 81 CO 0.07 0.45 0.21 0.15 -0.54 0.00 0.00 175.26 175.59 1m1k s LYS 82 N -0.79 0.50 -0.22 4.30 1.02 0.25 -4.85 119.74 119.95 1m1k s LYS 82 Ca 0.40 -0.20 -0.05 0.00 0.02 0.00 0.00 55.97 56.14 1m1k s LYS 82 Cb -0.24 0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 1m1k s LYS 82 CO 0.28 -0.12 0.01 0.99 -0.92 0.00 0.00 175.35 175.59 1m1k s THR 83 N -1.07 3.83 -0.14 2.17 2.01 -1.26 -0.49 115.64 120.69 1m1k s THR 83 Ca -0.12 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 1m1k s THR 83 Cb -0.06 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1m1k s THR 83 CO 0.02 0.40 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.71 1m1k s ILE 84 N 1.40 4.14 -0.46 1.82 1.01 0.24 -4.90 121.20 124.45 1m1k s ILE 84 Ca 0.05 -0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 1m1k s ILE 84 Cb -0.15 -2.81 0.04 0.00 0.01 0.00 0.00 42.46 39.55 1m1k s ILE 84 CO 0.00 0.52 0.62 -0.63 0.00 0.00 0.00 174.94 175.45 1m1k s ILE 85 N 0.05 4.86 -0.06 2.92 -1.09 -1.26 0.09 121.20 126.70 1m1k s ILE 85 Ca 0.01 -0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.20 1m1k s ILE 85 Cb -0.13 -4.23 0.02 0.00 -1.58 0.00 0.00 42.46 36.54 1m1k s ILE 85 CO 0.02 -0.67 0.23 0.54 -1.23 0.00 0.00 174.94 173.84 1m1k s VAL 86 N 2.71 0.02 0.58 2.92 0.11 -0.03 -4.63 120.40 122.08 1m1k s VAL 86 Ca 0.19 -0.19 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 1m1k s VAL 86 Cb -0.16 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.28 1m1k s VAL 86 CO 0.16 -0.10 0.91 0.42 -3.33 0.00 0.00 175.10 173.15 1m1k s THR 87 N -0.34 4.11 0.28 5.04 -4.23 -1.03 -0.34 115.64 119.15 1m1k s THR 87 Ca -0.04 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1m1k s THR 87 Cb -0.03 -3.62 0.28 0.00 1.34 0.00 0.00 72.50 70.47 1m1k s THR 87 CO 0.01 -0.67 1.85 0.00 -0.54 0.00 0.00 174.62 175.26 1m1k h ALA 88 N -0.14 1.51 -1.38 3.99 0.00 -1.84 -1.92 119.26 119.48 1m1k h ALA 88 Ca -0.46 0.01 0.48 0.00 0.00 0.00 0.00 54.91 54.94 1m1k h ALA 88 Cb 1.23 -0.23 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 1m1k h ALA 88 CO 0.61 0.26 0.88 0.00 0.00 0.00 0.00 179.25 181.01 1m1k h ALA 89 N 1.53 2.83 -0.46 0.00 0.00 -1.75 0.39 119.26 121.80 1m1k h ALA 89 Ca 0.48 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 1m1k h ALA 89 Cb 0.43 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1m1k h ALA 89 CO -0.24 -1.53 0.02 0.72 0.00 0.00 0.00 179.25 178.22 1m1k n HIS 90 N -4.74 1.65 -4.28 0.00 -0.00 -0.72 -4.66 115.22 102.46 1m1k n HIS 90 Ca 0.40 -0.86 -0.18 0.00 -0.00 0.00 0.00 57.72 57.09 1m1k n HIS 90 Cb 1.57 -0.45 -0.11 0.00 -0.00 0.00 0.00 29.99 31.00 1m1k n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1m1k s LEU 91 N -2.83 2.47 -0.03 2.41 1.43 0.14 -1.99 118.68 120.28 1m1k s LEU 91 Ca 0.50 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1m1k s LEU 91 Cb 0.39 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 46.04 1m1k s LEU 91 CO 0.12 -0.17 0.18 -0.13 0.23 0.00 0.00 176.35 176.58 1m1k s ARG 92 N -3.15 0.41 0.15 1.70 1.81 -1.01 -4.94 118.95 113.93 1m1k s ARG 92 Ca 0.15 -0.13 -0.30 0.00 -1.72 0.00 0.00 55.73 53.73 1m1k s ARG 92 Cb -0.03 0.18 -0.07 0.00 -0.45 0.00 0.00 34.95 34.58 1m1k s ARG 92 CO 0.04 -0.09 1.18 1.03 -0.68 0.00 0.00 175.30 176.78 1m1k s ARG 93 N -0.82 4.50 0.36 3.54 0.52 -1.26 -0.46 118.95 125.33 1m1k s ARG 93 Ca -0.09 1.82 -0.26 0.00 -0.52 0.00 0.00 55.73 56.68 1m1k s ARG 93 Cb -0.05 -3.27 -0.09 0.00 0.52 0.00 0.00 34.95 32.06 1m1k s ARG 93 CO 0.01 -0.10 1.06 -1.14 0.02 0.00 0.00 175.30 175.15 1m1k s GLN 94 N 0.05 4.31 0.00 3.54 0.74 -0.73 -4.82 119.66 122.74 1m1k s GLN 94 Ca 0.54 1.58 0.00 0.00 0.05 0.00 0.00 55.36 57.53 1m1k s GLN 94 Cb -0.31 -2.73 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1m1k s GLN 94 CO 0.34 -0.02 0.00 0.39 -0.55 0.00 0.00 175.29 175.45