#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2x n ASP 2 N 0.00 6.10 -4.81 3.17 2.03 -1.26 -5.02 116.55 116.75 3k2x n ASP 2 Ca 0.00 -3.43 -0.33 0.00 0.52 0.00 0.00 54.79 51.55 3k2x n ASP 2 Cb 0.00 -1.19 -0.05 0.00 -0.72 0.00 0.00 41.12 39.16 3k2x n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3k2x s PHE 3 N -2.80 3.18 -0.01 -0.67 0.08 -1.26 -0.94 117.98 115.57 3k2x s PHE 3 Ca 0.32 1.58 -0.05 0.00 0.12 0.00 0.00 56.93 58.91 3k2x s PHE 3 Cb 0.07 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.58 3k2x s PHE 3 CO 0.09 -0.46 0.10 1.03 -0.10 0.00 0.00 175.22 175.88 3k2x s ARG 4 N -3.31 0.33 0.15 0.44 1.81 -0.47 -4.96 118.95 112.95 3k2x s ARG 4 Ca 0.64 -0.26 0.08 0.00 -1.72 0.00 0.00 55.73 54.47 3k2x s ARG 4 Cb -0.12 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.47 3k2x s ARG 4 CO 0.18 -0.07 -0.08 0.96 -0.68 0.00 0.00 175.30 175.61 3k2x s ILE 5 N -0.93 3.37 0.09 1.52 -4.36 -1.26 -1.36 121.20 118.27 3k2x s ILE 5 Ca -0.10 -1.44 0.02 0.00 -0.26 0.00 0.00 60.65 58.87 3k2x s ILE 5 Cb -0.06 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 3k2x s ILE 5 CO 0.01 -0.01 -0.07 -0.83 0.24 0.00 0.00 174.94 174.27 3k2x s GLY 6 N -2.57 0.72 0.03 6.27 0.00 0.03 -3.85 107.32 107.95 3k2x s GLY 6 Ca 0.24 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3k2x s GLY 6 CO 0.15 -1.31 -0.04 -0.86 0.00 0.00 0.00 173.10 171.04 3k2x s GLN 7 N -3.27 0.39 0.00 2.90 1.03 -1.25 -1.11 119.66 118.36 3k2x s GLN 7 Ca 0.07 -0.70 -0.06 0.00 0.04 0.00 0.00 55.36 54.70 3k2x s GLN 7 Cb 0.01 0.02 -0.00 0.00 0.03 0.00 0.00 33.01 33.07 3k2x s GLN 7 CO -0.03 -0.03 0.10 0.20 -2.54 0.00 0.00 175.29 172.99 3k2x s GLY 8 N -1.63 0.08 0.01 2.60 0.00 0.01 -3.81 107.32 104.57 3k2x s GLY 8 Ca -0.12 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.40 3k2x s GLY 8 CO -0.01 -0.32 -0.03 -0.47 0.00 0.00 0.00 173.10 172.26 3k2x s TYR 9 N -1.34 0.27 0.10 1.90 6.14 -1.26 -1.03 117.35 122.12 3k2x s TYR 9 Ca -0.14 -0.26 -0.21 0.00 0.64 0.00 0.00 57.07 57.10 3k2x s TYR 9 Cb -0.08 -0.17 0.05 0.00 0.42 0.00 0.00 41.96 42.18 3k2x s TYR 9 CO 0.01 -0.08 0.50 0.34 0.64 0.00 0.00 175.55 176.97 3k2x s ASP 10 N -0.73 -0.41 -0.12 4.32 2.15 -0.47 -4.58 116.67 116.83 3k2x s ASP 10 Ca -0.06 -0.03 -0.15 0.00 0.43 0.00 0.00 52.55 52.74 3k2x s ASP 10 Cb -0.05 0.52 0.04 0.00 -0.30 0.00 0.00 42.92 43.12 3k2x s ASP 10 CO -0.00 -0.83 0.39 0.54 -0.17 0.00 0.00 175.17 175.10 3k2x s VAL 11 N -3.23 0.01 0.05 1.11 0.11 -1.26 -1.00 120.40 116.19 3k2x s VAL 11 Ca -0.01 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 3k2x s VAL 11 Cb 0.00 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 3k2x s VAL 11 CO -0.08 -0.05 -0.06 -1.00 -3.33 0.00 0.00 175.10 170.58 3k2x s HIS 12 N -0.13 0.59 0.56 1.54 3.76 -0.93 -5.00 115.29 115.68 3k2x s HIS 12 Ca -0.03 -0.63 -0.18 0.00 -0.15 0.00 0.00 55.06 54.07 3k2x s HIS 12 Cb -0.03 -0.37 -0.05 0.00 1.11 0.00 0.00 32.58 33.24 3k2x s HIS 12 CO 0.02 -0.15 1.08 -0.65 -0.85 0.00 0.00 174.74 174.19 3k2x s GLN 13 N -2.17 3.39 -0.27 1.40 -0.21 -1.26 -1.62 119.66 118.91 3k2x s GLN 13 Ca -0.06 1.40 -0.03 0.00 0.02 0.00 0.00 55.36 56.69 3k2x s GLN 13 Cb -0.06 -2.03 0.03 0.00 1.00 0.00 0.00 33.01 31.95 3k2x s GLN 13 CO -0.02 -0.78 -0.01 -1.17 -2.12 0.00 0.00 175.29 171.20 3k2x s LEU 14 N -4.05 3.54 0.11 2.90 0.20 -0.07 -1.64 118.68 119.68 3k2x s LEU 14 Ca 0.68 -0.92 0.05 0.00 0.69 0.00 0.00 54.13 54.63 3k2x s LEU 14 Cb -0.19 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.79 3k2x s LEU 14 CO 0.30 -0.18 -0.12 0.68 -0.29 0.00 0.00 176.35 176.74 3k2x s VAL 15 N 1.36 1.13 0.64 1.68 -7.23 -0.03 -4.71 120.40 113.25 3k2x s VAL 15 Ca -0.00 -1.72 -0.18 0.00 -1.81 0.00 0.00 61.98 58.26 3k2x s VAL 15 Cb -0.17 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 3k2x s VAL 15 CO -0.02 -0.52 1.28 -2.65 -0.31 0.00 0.00 175.10 172.88 3k2x n PRO 16 N 0.46 1.14 -0.04 4.82 -0.02 -1.26 -0.41 135.00 139.69 3k2x n PRO 16 Ca -0.15 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3k2x n PRO 16 Cb 0.58 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3k2x n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2x n GLY 17 N 0.94 0.40 3.32 -1.23 0.00 -1.26 -4.84 105.19 102.52 3k2x n GLY 17 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3k2x n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k2x s ARG 18 N -0.94 1.43 0.63 1.61 1.81 -1.25 -5.01 118.95 117.22 3k2x s ARG 18 Ca 0.00 -1.16 -0.12 0.00 -1.72 0.00 0.00 55.73 52.73 3k2x s ARG 18 Cb 0.00 -1.71 -0.03 0.00 -0.45 0.00 0.00 34.95 32.76 3k2x s ARG 18 CO 0.00 0.42 1.04 -1.25 -0.68 0.00 0.00 175.30 174.83 3k2x s PRO 19 N -1.64 3.36 -0.37 3.54 0.04 -1.26 -1.50 135.00 137.17 3k2x s PRO 19 Ca 0.10 0.91 -0.15 0.00 0.04 0.00 0.00 61.00 61.91 3k2x s PRO 19 Cb -0.10 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 3k2x s PRO 19 CO 0.04 -0.76 0.31 -1.17 0.04 0.00 0.00 177.00 175.46 3k2x s LEU 20 N -5.09 4.69 -0.17 -3.56 2.96 -1.26 -3.25 118.68 113.01 3k2x s LEU 20 Ca 0.58 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 3k2x s LEU 20 Cb -0.13 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.37 3k2x s LEU 20 CO 0.49 -0.36 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.43 3k2x s ILE 21 N 1.85 1.45 -0.05 6.68 1.01 -1.26 -0.38 121.20 130.50 3k2x s ILE 21 Ca 0.08 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3k2x s ILE 21 Cb -0.18 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.83 3k2x s ILE 21 CO 0.11 0.27 -0.03 -0.63 0.00 0.00 0.00 174.94 174.66 3k2x s ILE 22 N 1.50 0.49 -1.51 2.92 1.01 -0.60 -4.27 121.20 120.74 3k2x s ILE 22 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 3k2x s ILE 22 Cb -0.15 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.79 3k2x s ILE 22 CO -0.09 0.23 0.32 0.61 0.00 0.00 0.00 174.94 176.01 3k2x n GLY 23 N 4.26 -0.41 3.25 6.18 0.00 -1.26 -1.74 105.19 115.46 3k2x n GLY 23 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3k2x n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2x n GLY 24 N -1.27 0.88 3.71 -0.02 0.00 -1.26 -4.37 105.19 102.85 3k2x n GLY 24 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3k2x n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2x s VAL 25 N -3.25 5.39 -0.21 1.61 1.01 -0.71 -5.06 120.40 119.17 3k2x s VAL 25 Ca 0.00 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 3k2x s VAL 25 Cb 0.00 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 3k2x s VAL 25 CO 0.00 0.42 0.88 -0.89 0.00 0.00 0.00 175.10 175.51 3k2x s THR 26 N 0.54 4.81 -0.19 3.92 2.01 -1.26 -1.56 115.64 123.91 3k2x s THR 26 Ca 0.08 1.70 -0.01 0.00 0.31 0.00 0.00 61.69 63.77 3k2x s THR 26 Cb -0.12 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.23 3k2x s THR 26 CO -0.00 -0.07 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.11 3k2x s ILE 27 N 2.70 2.74 0.20 1.82 1.01 0.48 -5.01 121.20 125.14 3k2x s ILE 27 Ca 0.38 -0.71 -0.32 0.00 0.00 0.00 0.00 60.65 60.00 3k2x s ILE 27 Cb -0.16 -2.20 -0.11 0.00 0.01 0.00 0.00 42.46 40.00 3k2x s ILE 27 CO 0.09 0.48 1.63 -2.16 0.00 0.00 0.00 174.94 174.98 3k2x s PRO 28 N 1.28 4.17 -0.11 2.79 0.04 -1.26 -4.20 135.00 137.72 3k2x s PRO 28 Ca 0.04 2.48 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 3k2x s PRO 28 Cb -0.14 -3.11 0.12 0.00 0.04 0.00 0.00 34.50 31.41 3k2x s PRO 28 CO -0.07 -0.66 0.94 -0.47 0.04 0.00 0.00 177.00 176.79 3k2x s TYR 29 N 1.03 -0.39 -1.20 0.56 5.04 -1.26 -5.00 117.35 116.13 3k2x s TYR 29 Ca 0.71 0.56 0.14 0.00 -2.44 0.00 0.00 57.07 56.04 3k2x s TYR 29 Cb -0.46 0.47 0.65 0.00 0.35 0.00 0.00 41.96 42.96 3k2x s TYR 29 CO 0.33 -0.42 1.41 -0.85 -1.34 0.00 0.00 175.55 174.69 3k2x n GLU 30 N 0.48 0.09 -3.98 4.97 0.28 -1.26 -4.80 120.64 116.42 3k2x n GLU 30 Ca -0.10 0.21 -0.09 0.00 -0.16 0.00 0.00 57.16 57.02 3k2x n GLU 30 Cb 0.59 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.88 3k2x n GLU 30 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3k2x s ARG 31 N -2.80 0.92 0.27 3.44 0.52 -1.26 -4.27 118.95 115.77 3k2x s ARG 31 Ca 0.10 -1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 54.11 3k2x s ARG 31 Cb 0.09 0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.86 3k2x s ARG 31 CO 0.23 -0.29 0.36 0.20 0.02 0.00 0.00 175.30 175.82 3k2x s GLY 32 N -2.94 1.28 0.12 -3.53 0.00 0.45 -3.98 107.32 98.72 3k2x s GLY 32 Ca 0.13 -1.44 -0.23 0.00 0.00 0.00 0.00 44.72 43.18 3k2x s GLY 32 CO -0.05 -1.05 0.70 1.08 0.00 0.00 0.00 173.10 173.77 3k2x s LEU 33 N -3.16 4.56 -0.22 0.66 1.43 -1.20 -0.85 118.68 119.90 3k2x s LEU 33 Ca 0.32 1.49 -0.10 0.00 -1.03 0.00 0.00 54.13 54.81 3k2x s LEU 33 Cb 0.02 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 3k2x s LEU 33 CO 0.15 0.23 0.13 -0.76 0.23 0.00 0.00 176.35 176.33 3k2x s LEU 34 N -1.08 4.02 0.00 1.79 1.43 -0.65 -4.74 118.68 119.45 3k2x s LEU 34 Ca 0.33 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 3k2x s LEU 34 Cb -0.22 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3k2x s LEU 34 CO 0.23 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.52 3k2x n GLY 35 N 4.04 -2.12 0.00 -3.19 0.00 -1.26 -4.20 105.19 98.46 3k2x n GLY 35 Ca -0.16 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3k2x n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k2x n ASP 38 N -0.49 0.00 -2.99 1.61 5.68 -1.26 -5.08 116.55 114.01 3k2x n ASP 38 Ca 0.00 0.04 -0.22 0.00 -0.50 0.00 0.00 54.79 54.11 3k2x n ASP 38 Cb 0.00 -0.04 0.04 0.00 -1.14 0.00 0.00 41.12 39.98 3k2x n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k2x n ALA 39 N -0.79 -0.99 -2.26 2.12 0.00 -1.26 -4.71 120.51 112.62 3k2x n ALA 39 Ca 0.00 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 3k2x n ALA 39 Cb 0.13 -4.05 -0.04 0.00 0.00 0.00 0.00 19.45 15.49 3k2x n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k2x s ASP 40 N -2.83 5.70 0.28 0.00 -1.08 -1.26 -4.83 116.67 112.65 3k2x s ASP 40 Ca 0.34 -0.92 -0.01 0.00 -0.52 0.00 0.00 52.55 51.44 3k2x s ASP 40 Cb -0.15 -2.56 0.48 0.00 -1.46 0.00 0.00 42.92 39.22 3k2x s ASP 40 CO 0.42 -2.23 1.88 1.62 0.52 0.00 0.00 175.17 177.38 3k2x h VAL 41 N 7.03 1.04 -0.12 1.11 3.04 -1.91 -1.42 116.25 125.02 3k2x h VAL 41 Ca 0.11 -0.38 -0.03 0.00 -1.01 0.00 0.00 66.70 65.40 3k2x h VAL 41 Cb 1.01 -0.15 -0.00 0.00 -2.01 0.00 0.00 31.29 30.14 3k2x h VAL 41 CO 1.30 0.20 -0.03 0.25 -1.01 0.00 0.00 177.57 178.28 3k2x h LEU 42 N 1.10 0.24 -0.86 3.16 5.85 -1.90 -2.38 115.31 120.52 3k2x h LEU 42 Ca 0.44 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3k2x h LEU 42 Cb 0.25 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3k2x h LEU 42 CO -0.19 0.55 0.29 -0.07 -0.34 0.00 0.00 178.44 178.68 3k2x h LEU 43 N -0.07 1.04 -0.02 2.25 3.38 -1.87 -1.98 115.31 118.03 3k2x h LEU 43 Ca 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3k2x h LEU 43 Cb 0.44 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3k2x h LEU 43 CO 0.01 0.93 0.00 0.45 0.09 0.00 0.00 178.44 179.92 3k2x h HIS 44 N 1.09 0.00 -0.70 1.13 3.86 -1.29 -0.81 115.15 118.44 3k2x h HIS 44 Ca 0.25 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.49 3k2x h HIS 44 Cb 0.22 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 3k2x h HIS 44 CO 0.02 0.00 0.44 0.00 0.86 0.00 0.00 177.93 179.25 3k2x h ALA 45 N 1.02 0.91 -0.50 2.45 0.00 -1.26 -0.98 119.26 120.90 3k2x h ALA 45 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3k2x h ALA 45 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3k2x h ALA 45 CO -0.02 0.24 0.26 0.82 0.00 0.00 0.00 179.25 180.54 3k2x h ILE 46 N 0.88 1.18 -0.63 0.00 2.04 -1.22 -1.08 117.51 118.69 3k2x h ILE 46 Ca 0.28 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.68 3k2x h ILE 46 Cb -0.01 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 3k2x h ILE 46 CO -0.10 0.20 0.36 0.74 0.00 0.00 0.00 178.15 179.35 3k2x h THR 47 N 0.66 1.00 -0.58 -0.27 2.02 -0.88 -1.08 112.91 113.78 3k2x h THR 47 Ca 0.17 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 3k2x h THR 47 Cb 0.09 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3k2x h THR 47 CO -0.02 0.12 0.27 0.44 0.37 0.00 0.00 175.52 176.69 3k2x h ASP 48 N 0.68 0.78 -0.93 4.18 3.45 -0.97 -1.26 116.42 122.35 3k2x h ASP 48 Ca 0.27 -0.14 0.01 0.00 0.43 0.00 0.00 57.03 57.59 3k2x h ASP 48 Cb 0.12 -0.20 -0.05 0.00 -0.56 0.00 0.00 39.33 38.64 3k2x h ASP 48 CO -0.15 0.71 0.61 0.00 -1.57 0.00 0.00 179.24 178.84 3k2x h ALA 49 N 1.10 1.17 -0.17 3.45 0.00 -0.82 0.33 119.26 124.33 3k2x h ALA 49 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3k2x h ALA 49 Cb 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3k2x h ALA 49 CO -0.02 0.58 -0.04 -0.07 0.00 0.00 0.00 179.25 179.70 3k2x h LEU 50 N 1.26 0.33 -0.99 0.00 3.38 -0.80 -1.22 115.31 117.27 3k2x h LEU 50 Ca 0.34 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3k2x h LEU 50 Cb -0.14 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3k2x h LEU 50 CO -0.07 0.62 0.47 -0.26 0.09 0.00 0.00 178.44 179.28 3k2x h PHE 51 N 0.04 1.15 -0.18 1.13 0.04 -1.10 -2.44 116.94 115.58 3k2x h PHE 51 Ca 0.04 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.80 3k2x h PHE 51 Cb 0.47 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3k2x h PHE 51 CO 0.05 0.80 0.09 0.78 -0.60 0.00 0.00 178.31 179.42 3k2x h GLY 52 N 1.20 0.23 0.93 -1.45 0.00 -0.80 0.12 103.07 103.30 3k2x h GLY 52 Ca 0.30 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.61 3k2x h GLY 52 CO -0.05 0.05 0.59 0.00 0.00 0.00 0.00 176.54 177.13 3k2x h ALA 53 N 1.09 1.47 -0.02 3.60 0.00 -1.06 -1.28 119.26 123.06 3k2x h ALA 53 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k2x h ALA 53 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3k2x h ALA 53 CO -0.05 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.61 3k2x n ALA 54 N -2.40 2.63 -4.02 0.00 0.00 -0.93 -4.62 120.51 111.18 3k2x n ALA 54 Ca 0.13 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 3k2x n ALA 54 Cb 0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 3k2x n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k2x n ALA 55 N -0.56 -2.10 -1.04 0.00 0.00 -0.48 -4.92 120.51 111.41 3k2x n ALA 55 Ca 0.20 -0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.37 3k2x n ALA 55 Cb 0.18 -1.62 0.28 0.00 0.00 0.00 0.00 19.45 18.30 3k2x n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k2x n LEU 56 N -4.46 4.54 0.00 0.00 4.77 0.30 -5.02 117.00 117.13 3k2x n LEU 56 Ca -0.29 -3.12 0.00 0.00 -0.03 0.00 0.00 56.01 52.57 3k2x n LEU 56 Cb 0.67 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3k2x n LEU 56 CO 0.77 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.19 3k2x n GLY 57 N -0.35 0.76 3.46 -0.72 0.00 -1.26 -4.89 105.19 102.19 3k2x n GLY 57 Ca 0.27 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 3k2x n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k2x s ASP 58 N -4.00 0.61 0.22 1.61 1.47 -1.26 -4.15 116.67 111.17 3k2x s ASP 58 Ca 0.00 -1.36 -0.08 0.00 1.18 0.00 0.00 52.55 52.30 3k2x s ASP 58 Cb 0.00 0.59 0.26 0.00 -0.34 0.00 0.00 42.92 43.44 3k2x s ASP 58 CO 0.00 -1.18 1.84 -0.29 0.68 0.00 0.00 175.17 176.23 3k2x h ILE 59 N 2.22 1.05 -0.13 2.11 2.10 -1.91 -1.42 117.51 121.55 3k2x h ILE 59 Ca -0.29 -0.31 -0.02 0.00 1.08 0.00 0.00 64.86 65.32 3k2x h ILE 59 Cb 1.24 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 37.05 3k2x h ILE 59 CO 0.40 0.16 -0.03 1.23 -1.08 0.00 0.00 178.15 178.83 3k2x h GLY 60 N 0.89 0.19 1.87 8.18 0.00 -1.98 0.16 103.07 112.39 3k2x h GLY 60 Ca 0.33 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.40 3k2x h GLY 60 CO -0.15 0.09 -0.75 3.21 0.00 0.00 0.00 176.54 178.95 3k2x h ARG 61 N 0.18 0.12 0.11 4.80 3.08 -1.67 -3.27 114.38 117.73 3k2x h ARG 61 Ca 0.04 -0.11 -0.24 0.00 0.07 0.00 0.00 59.98 59.74 3k2x h ARG 61 Cb 0.18 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3k2x h ARG 61 CO 0.01 0.81 -1.21 0.45 -1.07 0.00 0.00 179.97 178.96 3k2x h HIS 62 N 0.08 0.43 -2.94 3.04 3.86 -1.09 -3.43 115.15 115.08 3k2x h HIS 62 Ca -0.02 -0.31 -0.61 0.00 -1.16 0.00 0.00 60.37 58.26 3k2x h HIS 62 Cb 1.31 -0.02 -0.41 0.00 1.06 0.00 0.00 27.41 29.36 3k2x h HIS 62 CO 0.01 1.47 -0.67 -0.06 0.86 0.00 0.00 177.93 179.55 3k2x s PHE 63 N -2.45 2.96 0.32 2.45 0.08 0.53 -5.09 117.98 116.77 3k2x s PHE 63 Ca -0.19 -3.08 -0.29 0.00 0.12 0.00 0.00 56.93 53.50 3k2x s PHE 63 Cb 0.03 -2.30 -0.10 0.00 -0.57 0.00 0.00 43.02 40.08 3k2x s PHE 63 CO 0.77 -0.63 1.20 0.45 -0.10 0.00 0.00 175.22 176.92 3k2x s SER 64 N -1.00 6.97 0.39 1.36 0.15 -1.23 -4.57 113.70 115.77 3k2x s SER 64 Ca 0.26 2.47 0.21 0.00 0.70 0.00 0.00 55.95 59.59 3k2x s SER 64 Cb -0.05 -2.64 1.20 0.00 -1.71 0.00 0.00 66.02 62.83 3k2x s SER 64 CO -0.16 -0.37 1.69 -2.24 1.20 0.00 0.00 173.24 173.36 3k2x h ASP 65 N 3.50 0.40 0.50 5.45 2.03 -1.96 -2.24 116.42 124.10 3k2x h ASP 65 Ca -0.48 0.13 -0.29 0.00 -0.73 0.00 0.00 57.03 55.66 3k2x h ASP 65 Cb 1.22 0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 39.78 3k2x h ASP 65 CO 0.66 -0.07 -1.57 0.74 -1.03 0.00 0.00 179.24 177.97 3k2x h THR 66 N 0.27 1.07 -1.36 1.15 2.02 -1.98 -3.48 112.91 110.60 3k2x h THR 66 Ca 0.71 -2.80 -0.76 0.00 0.77 0.00 0.00 66.41 64.33 3k2x h THR 66 Cb 1.91 2.63 0.01 0.00 -1.74 0.00 0.00 68.15 70.96 3k2x h THR 66 CO -0.43 0.74 0.93 -0.67 0.37 0.00 0.00 175.52 176.46 3k2x n ASP 67 N -3.31 2.13 0.18 4.18 -0.08 -0.84 -4.86 116.55 113.95 3k2x n ASP 67 Ca -0.16 1.03 0.14 0.00 -1.51 0.00 0.00 54.79 54.29 3k2x n ASP 67 Cb 1.03 -1.10 0.72 0.00 2.34 0.00 0.00 41.12 44.11 3k2x n ASP 67 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3k2x h PRO 68 N 7.31 0.00 -5.34 -0.67 0.11 -1.93 -3.47 132.00 128.01 3k2x h PRO 68 Ca -0.43 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.03 3k2x h PRO 68 Cb 1.33 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.29 3k2x h PRO 68 CO 0.98 0.00 0.74 1.03 -0.21 0.00 0.00 178.00 180.54 3k2x s ARG 69 N -4.93 3.34 0.00 1.05 3.00 -1.26 -5.23 118.95 114.93 3k2x s ARG 69 Ca -0.05 -1.21 0.00 0.00 0.00 0.00 0.00 55.73 54.47 3k2x s ARG 69 Cb 0.17 -4.59 0.00 0.00 0.00 0.00 0.00 34.95 30.53 3k2x s ARG 69 CO 0.65 -1.84 0.00 0.00 0.00 0.00 0.00 175.30 174.12 3k2x n ALA 73 N 7.37 0.00 -1.92 2.13 0.00 -1.26 -5.10 120.51 121.72 3k2x n ALA 73 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.27 3k2x n ALA 73 Cb 0.47 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.00 3k2x n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3k2x s ASP 74 N 0.00 4.70 0.59 0.00 1.47 -1.26 -4.80 116.67 117.37 3k2x s ASP 74 Ca 0.00 0.55 0.37 0.00 1.18 0.00 0.00 52.55 54.65 3k2x s ASP 74 Cb 0.00 -1.14 1.75 0.00 -0.34 0.00 0.00 42.92 43.19 3k2x s ASP 74 CO 0.00 -1.71 2.13 0.28 0.68 0.00 0.00 175.17 176.55 3k2x h SER 75 N -0.75 0.00 -0.15 2.11 0.02 -1.98 -2.25 113.55 110.55 3k2x h SER 75 Ca -0.45 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.29 3k2x h SER 75 Cb 1.32 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.87 3k2x h SER 75 CO 0.62 0.01 -0.74 0.03 -1.14 0.00 0.00 176.83 175.62 3k2x h ARG 76 N 0.00 0.76 -0.72 3.45 3.08 -1.98 0.09 114.38 119.06 3k2x h ARG 76 Ca -0.00 -0.62 0.04 0.00 0.07 0.00 0.00 59.98 59.47 3k2x h ARG 76 Cb 0.32 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 3k2x h ARG 76 CO 0.00 1.23 0.45 0.00 -1.07 0.00 0.00 179.97 180.58 3k2x h ALA 77 N 0.54 0.95 -0.46 0.04 0.00 -1.79 -0.64 119.26 117.90 3k2x h ALA 77 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3k2x h ALA 77 Cb 1.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3k2x h ALA 77 CO 0.15 0.21 0.17 -0.07 0.00 0.00 0.00 179.25 179.71 3k2x h LEU 78 N 0.86 0.64 -0.52 0.00 3.38 -1.35 -1.23 115.31 117.09 3k2x h LEU 78 Ca 0.30 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3k2x h LEU 78 Cb 0.05 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3k2x h LEU 78 CO -0.12 0.65 0.26 0.25 0.09 0.00 0.00 178.44 179.57 3k2x h LEU 79 N 0.60 0.37 -0.77 1.67 5.85 -0.69 0.38 115.31 122.71 3k2x h LEU 79 Ca 0.15 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3k2x h LEU 79 Cb 0.22 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3k2x h LEU 79 CO -0.01 0.26 0.27 0.03 -0.34 0.00 0.00 178.44 178.65 3k2x h ARG 80 N 0.51 1.18 -0.43 1.25 3.08 -0.86 -1.49 114.38 117.62 3k2x h ARG 80 Ca 0.23 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 3k2x h ARG 80 Cb 0.14 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3k2x h ARG 80 CO -0.16 0.98 -0.24 1.49 -1.07 0.00 0.00 179.97 180.97 3k2x h GLU 81 N 1.14 0.89 -0.35 0.04 4.57 -0.95 -2.12 114.58 117.80 3k2x h GLU 81 Ca 0.25 -0.38 0.07 0.00 -1.18 0.00 0.00 59.36 58.12 3k2x h GLU 81 Cb 0.27 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.77 3k2x h GLU 81 CO -0.01 1.03 -0.06 0.00 -1.18 0.00 0.00 179.01 178.78 3k2x h ALA 83 N 1.34 1.10 -0.73 0.00 0.00 -0.98 0.11 119.26 120.10 3k2x h ALA 83 Ca 0.17 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3k2x h ALA 83 Cb 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3k2x h ALA 83 CO -0.34 0.64 0.23 1.03 0.00 0.00 0.00 179.25 180.81 3k2x h SER 84 N 1.08 1.05 -0.13 0.00 0.87 -1.16 0.18 113.55 115.44 3k2x h SER 84 Ca 0.25 -0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.48 3k2x h SER 84 Cb 0.23 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3k2x h SER 84 CO -0.02 0.97 -0.38 0.03 -0.53 0.00 0.00 176.83 176.90 3k2x h ARG 85 N 1.08 0.66 -0.14 2.24 3.08 -0.66 0.25 114.38 120.88 3k2x h ARG 85 Ca 0.24 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3k2x h ARG 85 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3k2x h ARG 85 CO -0.01 0.93 0.04 0.28 -1.07 0.00 0.00 179.97 180.14 3k2x h VAL 86 N 0.54 1.18 -0.51 2.04 2.07 -0.50 -1.53 116.25 119.54 3k2x h VAL 86 Ca 0.05 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.09 3k2x h VAL 86 Cb 0.90 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 3k2x h VAL 86 CO 0.08 0.17 0.18 0.00 0.02 0.00 0.00 177.57 178.02 3k2x h ALA 87 N 0.86 0.62 0.00 1.67 0.00 -0.46 -2.40 119.26 119.55 3k2x h ALA 87 Ca 0.04 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3k2x h ALA 87 Cb 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3k2x h ALA 87 CO -0.00 -0.21 -0.32 -0.56 0.00 0.00 0.00 179.25 178.15 3k2x h GLN 88 N 0.36 0.00 0.00 0.00 3.07 -0.75 -0.36 115.11 117.43 3k2x h GLN 88 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 3k2x h GLN 88 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 3k2x h GLN 88 CO -0.25 0.32 0.00 0.00 0.09 0.00 0.00 178.83 179.00 3k2x n ALA 89 N -2.36 1.83 0.00 0.06 0.00 -0.59 -4.89 120.51 114.55 3k2x n ALA 89 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3k2x n ALA 89 Cb 0.41 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3k2x n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k2x n GLY 90 N 0.36 0.93 3.69 0.00 0.00 -0.15 -5.09 105.19 104.93 3k2x n GLY 90 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3k2x n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k2x s PHE 91 N -2.00 3.25 -0.12 1.61 0.08 -0.94 -4.37 117.98 115.49 3k2x s PHE 91 Ca 0.00 0.19 -0.05 0.00 0.12 0.00 0.00 56.93 57.18 3k2x s PHE 91 Cb 0.00 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 3k2x s PHE 91 CO 0.00 0.41 0.07 0.00 -0.10 0.00 0.00 175.22 175.60 3k2x s ALA 92 N -0.53 3.57 0.11 5.36 0.00 0.17 -3.65 121.76 126.78 3k2x s ALA 92 Ca 0.10 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 3k2x s ALA 92 Cb -0.12 -1.79 -0.06 0.00 0.00 0.00 0.00 23.12 21.15 3k2x s ALA 92 CO 0.02 0.50 0.97 0.42 0.00 0.00 0.00 175.76 177.68 3k2x s ILE 93 N -0.65 4.49 -0.22 0.00 1.01 -1.26 -1.01 121.20 123.56 3k2x s ILE 93 Ca 0.12 2.05 -0.04 0.00 0.00 0.00 0.00 60.65 62.78 3k2x s ILE 93 Cb -0.12 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 37.92 3k2x s ILE 93 CO 0.02 0.31 -0.23 0.54 0.00 0.00 0.00 174.94 175.58 3k2x n ARG 94 N 2.83 0.51 -3.53 2.79 5.12 0.76 -4.95 116.66 120.20 3k2x n ARG 94 Ca 0.03 0.16 -0.09 0.00 -1.93 0.00 0.00 57.85 56.02 3k2x n ARG 94 Cb 0.49 -1.38 -0.02 0.00 -1.16 0.00 0.00 32.46 30.39 3k2x n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3k2x s ASN 95 N -6.50 -0.40 -0.02 0.55 4.22 -1.07 -4.85 114.94 106.88 3k2x s ASN 95 Ca -0.30 -0.08 0.03 0.00 -2.14 0.00 0.00 52.86 50.37 3k2x s ASN 95 Cb 0.10 0.48 -0.01 0.00 1.28 0.00 0.00 41.25 43.10 3k2x s ASN 95 CO 0.45 -0.80 -0.12 -0.69 -2.04 0.00 0.00 177.10 173.90 3k2x s VAL 96 N -3.38 0.95 0.10 3.54 1.01 -0.13 -1.41 120.40 121.08 3k2x s VAL 96 Ca 0.05 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3k2x s VAL 96 Cb -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 3k2x s VAL 96 CO -0.08 0.28 -0.12 -0.62 0.00 0.00 0.00 175.10 174.55 3k2x s ASP 97 N -0.13 1.65 0.19 3.32 2.15 -0.46 -1.26 116.67 122.12 3k2x s ASP 97 Ca 0.02 -0.76 -0.19 0.00 0.43 0.00 0.00 52.55 52.05 3k2x s ASP 97 Cb -0.06 -0.03 0.04 0.00 -0.30 0.00 0.00 42.92 42.57 3k2x s ASP 97 CO -0.00 -0.18 0.55 -0.94 -0.17 0.00 0.00 175.17 174.42 3k2x s SER 98 N -2.27 -0.33 -0.02 -0.34 1.04 -0.96 -1.04 113.70 109.78 3k2x s SER 98 Ca 0.04 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3k2x s SER 98 Cb -0.05 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.68 3k2x s SER 98 CO 0.01 -1.04 0.00 -0.89 0.98 0.00 0.00 173.24 172.31 3k2x s THR 99 N -3.84 0.11 -0.21 2.02 2.01 0.27 -1.24 115.64 114.76 3k2x s THR 99 Ca 0.07 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.05 3k2x s THR 99 Cb -0.01 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 3k2x s THR 99 CO -0.05 0.11 0.12 -0.63 -0.69 0.00 0.00 174.62 173.48 3k2x s ILE 100 N 0.80 5.24 -0.34 1.82 1.01 0.36 -0.57 121.20 129.51 3k2x s ILE 100 Ca -0.08 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 3k2x s ILE 100 Cb -0.11 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.99 3k2x s ILE 100 CO -0.02 0.42 0.14 -0.63 0.00 0.00 0.00 174.94 174.85 3k2x s ILE 101 N 0.56 4.17 -0.14 2.92 1.01 0.35 -0.45 121.20 129.62 3k2x s ILE 101 Ca 0.07 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 3k2x s ILE 101 Cb -0.12 -3.28 0.05 0.00 0.01 0.00 0.00 42.46 39.12 3k2x s ILE 101 CO 0.00 -0.12 0.33 0.00 0.00 0.00 0.00 174.94 175.15 3k2x s ALA 102 N 1.49 -0.81 0.25 9.38 0.00 -0.10 -2.02 121.76 129.95 3k2x s ALA 102 Ca 0.01 1.26 0.07 0.00 0.00 0.00 0.00 51.96 53.30 3k2x s ALA 102 Cb -0.19 -0.78 0.30 0.00 0.00 0.00 0.00 23.12 22.46 3k2x s ALA 102 CO 0.04 -0.23 1.59 0.37 0.00 0.00 0.00 175.76 177.53 3k2x h GLN 103 N 7.10 0.15 -2.66 0.00 5.75 -1.81 -3.35 115.11 120.29 3k2x h GLN 103 Ca -0.38 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3k2x h GLN 103 Cb 1.17 0.02 -0.14 0.00 1.07 0.00 0.00 27.48 29.60 3k2x h GLN 103 CO 0.33 0.70 0.27 0.00 -2.65 0.00 0.00 178.83 177.49 3k2x s ALA 104 N -3.74 -1.68 0.91 3.38 0.00 -1.26 -4.88 121.76 114.50 3k2x s ALA 104 Ca -0.03 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.60 3k2x s ALA 104 Cb 0.12 0.61 0.14 0.00 0.00 0.00 0.00 23.12 23.99 3k2x s ALA 104 CO 0.78 -0.68 0.85 -0.35 0.00 0.00 0.00 175.76 176.37 3k2x n PRO 105 N -0.12 -0.64 -1.98 0.00 -0.04 -1.26 -5.07 135.00 125.89 3k2x n PRO 105 Ca -0.16 -1.51 -0.42 0.00 -0.04 0.00 0.00 63.50 61.37 3k2x n PRO 105 Cb 0.63 -0.82 -0.03 0.00 -0.04 0.00 0.00 33.50 33.24 3k2x n PRO 105 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3k2x s LYS 106 N -4.80 4.20 0.01 0.54 0.00 -1.26 -4.91 119.74 113.51 3k2x s LYS 106 Ca 0.50 2.25 0.22 0.00 0.00 0.00 0.00 55.97 58.94 3k2x s LYS 106 Cb -0.02 -3.79 -0.26 0.00 0.00 0.00 0.00 37.83 33.76 3k2x s LYS 106 CO 0.35 -0.78 0.62 1.28 0.00 0.00 0.00 175.35 176.82 3k2x n LEU 107 N 6.34 0.23 -0.32 2.77 4.77 -1.26 -4.59 117.00 124.94 3k2x n LEU 107 Ca 0.16 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.29 3k2x n LEU 107 Cb 0.42 -0.01 0.33 0.00 -2.33 0.00 0.00 43.42 41.83 3k2x n LEU 107 CO 0.62 -0.00 1.09 0.00 -1.33 0.00 0.00 177.39 177.77 3k2x h ALA 108 N 2.11 1.55 0.00 -1.18 0.00 -1.99 0.22 119.26 119.98 3k2x h ALA 108 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k2x h ALA 108 Cb 0.94 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3k2x h ALA 108 CO 0.00 -0.31 -0.01 -1.35 0.00 0.00 0.00 179.25 177.58 3k2x h PRO 109 N 0.47 0.00 -0.02 0.00 0.11 -2.02 -2.89 132.00 127.66 3k2x h PRO 109 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 3k2x h PRO 109 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3k2x h PRO 109 CO -0.51 0.01 -0.37 0.72 -0.21 0.00 0.00 178.00 177.64 3k2x n HIS 110 N -3.12 0.00 -0.03 0.65 8.25 0.05 -4.63 115.22 116.39 3k2x n HIS 110 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 3k2x n HIS 110 Cb 0.20 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 3k2x n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3k2x h ILE 111 N 2.94 1.15 -0.46 1.59 1.08 -1.37 -1.83 117.51 120.60 3k2x h ILE 111 Ca 0.00 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 3k2x h ILE 111 Cb 0.81 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 3k2x h ILE 111 CO 0.00 0.14 0.23 0.44 -0.69 0.00 0.00 178.15 178.27 3k2x h ASP 112 N 0.07 0.57 -0.38 1.72 3.32 -1.82 -0.69 116.42 119.20 3k2x h ASP 112 Ca 0.05 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3k2x h ASP 112 Cb 0.17 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3k2x h ASP 112 CO -0.00 0.48 0.11 0.00 -1.72 0.00 0.00 179.24 178.11 3k2x h ALA 113 N 1.61 0.50 -0.35 3.45 0.00 -1.74 -0.94 119.26 121.79 3k2x h ALA 113 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3k2x h ALA 113 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3k2x h ALA 113 CO -0.02 0.16 0.19 0.52 0.00 0.00 0.00 179.25 180.10 3k2x h MET 114 N 0.47 0.49 -0.69 0.00 2.86 -0.94 -1.22 114.93 115.92 3k2x h MET 114 Ca 0.12 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 3k2x h MET 114 Cb 0.28 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 3k2x h MET 114 CO -0.00 0.42 0.43 0.00 1.06 0.00 0.00 176.91 178.81 3k2x h ARG 115 N 0.44 0.81 -0.66 1.72 3.08 -1.04 -0.67 114.38 118.07 3k2x h ARG 115 Ca 0.12 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 3k2x h ARG 115 Cb 0.07 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3k2x h ARG 115 CO -0.02 0.53 0.19 0.00 -1.07 0.00 0.00 179.97 179.60 3k2x h ALA 116 N 1.30 0.87 -0.39 0.04 0.00 -0.92 0.48 119.26 120.64 3k2x h ALA 116 Ca 0.28 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3k2x h ALA 116 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3k2x h ALA 116 CO -0.11 0.56 0.09 -0.91 0.00 0.00 0.00 179.25 178.88 3k2x h ASN 117 N 0.97 0.60 -0.18 0.00 2.35 -0.73 -2.00 115.58 116.59 3k2x h ASN 117 Ca 0.21 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3k2x h ASN 117 Cb 0.32 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3k2x h ASN 117 CO -0.00 0.68 0.03 0.40 -1.65 0.00 0.00 177.43 176.88 3k2x h ILE 118 N 0.49 1.22 -0.53 2.81 2.04 -1.01 -1.07 117.51 121.46 3k2x h ILE 118 Ca 0.12 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.29 3k2x h ILE 118 Cb 0.31 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3k2x h ILE 118 CO 0.00 0.22 0.34 0.00 0.00 0.00 0.00 178.15 178.70 3k2x h ALA 119 N 0.83 0.68 -0.13 1.87 0.00 -0.88 -0.43 119.26 121.19 3k2x h ALA 119 Ca 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3k2x h ALA 119 Cb 0.30 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3k2x h ALA 119 CO 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 179.25 179.21 3k2x h ALA 120 N 1.22 -0.02 -0.02 0.00 0.00 -1.28 0.84 119.26 120.00 3k2x h ALA 120 Ca 0.21 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3k2x h ALA 120 Cb -0.03 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3k2x h ALA 120 CO -0.07 -0.57 -0.24 -0.44 0.00 0.00 0.00 179.25 177.93 3k2x h ASP 121 N -0.13 0.04 -0.14 0.00 3.32 -0.67 -2.59 116.42 116.25 3k2x h ASP 121 Ca 0.09 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3k2x h ASP 121 Cb 0.26 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3k2x h ASP 121 CO -0.21 0.28 0.00 0.18 -1.72 0.00 0.00 179.24 177.77 3k2x n LEU 122 N -4.24 2.58 -3.85 1.55 4.77 -0.22 -4.42 117.00 113.19 3k2x n LEU 122 Ca -0.02 -0.97 -0.26 0.00 -0.03 0.00 0.00 56.01 54.74 3k2x n LEU 122 Cb 0.31 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3k2x n LEU 122 CO 0.37 0.48 -0.04 -0.67 -1.33 0.00 0.00 177.39 176.20 3k2x n ASP 123 N 0.97 -2.23 -4.57 -1.43 2.03 -0.26 -4.98 116.55 106.10 3k2x n ASP 123 Ca 0.17 -0.86 -0.30 0.00 0.52 0.00 0.00 54.79 54.32 3k2x n ASP 123 Cb 0.51 -3.73 -0.10 0.00 -0.72 0.00 0.00 41.12 37.07 3k2x n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k2x s LEU 124 N -6.95 3.02 0.46 -2.67 1.43 0.13 -5.04 118.68 109.05 3k2x s LEU 124 Ca 0.25 -0.34 -0.25 0.00 -1.03 0.00 0.00 54.13 52.77 3k2x s LEU 124 Cb -0.13 -1.79 -0.08 0.00 0.03 0.00 0.00 46.19 44.22 3k2x s LEU 124 CO 0.84 0.21 1.36 -2.65 0.23 0.00 0.00 176.35 176.34 3k2x n PRO 125 N 1.00 2.04 -0.33 1.29 -0.02 -1.26 -4.51 135.00 133.20 3k2x n PRO 125 Ca -0.14 0.73 0.16 0.00 -2.02 0.00 0.00 63.50 62.23 3k2x n PRO 125 Cb 0.52 -2.54 0.39 0.00 -0.02 0.00 0.00 33.50 31.86 3k2x n PRO 125 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k2x h LEU 126 N 2.06 0.66 0.00 2.45 5.85 -1.93 -1.57 115.31 122.82 3k2x h LEU 126 Ca -0.50 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3k2x h LEU 126 Cb 1.28 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3k2x h LEU 126 CO 0.60 0.19 0.00 -0.90 -0.34 0.00 0.00 178.44 177.99 3k2x n ASP 127 N -4.73 0.00 -0.42 1.25 5.75 -1.26 -1.84 116.55 115.30 3k2x n ASP 127 Ca 0.24 -1.19 0.04 0.00 -0.01 0.00 0.00 54.79 53.87 3k2x n ASP 127 Cb 0.68 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.86 3k2x n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3k2x n ARG 128 N -0.59 2.01 -4.78 0.11 1.74 -0.59 -4.97 116.66 109.59 3k2x n ARG 128 Ca 0.03 -1.60 -0.28 0.00 -0.77 0.00 0.00 57.85 55.23 3k2x n ARG 128 Cb 0.01 -1.18 -0.17 0.00 -1.02 0.00 0.00 32.46 30.10 3k2x n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k2x s VAL 129 N -0.89 1.52 0.00 1.55 1.01 -0.77 -0.96 120.40 121.87 3k2x s VAL 129 Ca 0.14 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3k2x s VAL 129 Cb 0.08 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3k2x s VAL 129 CO 0.11 0.44 -0.07 0.21 0.00 0.00 0.00 175.10 175.79 3k2x s ASN 130 N 0.62 0.80 -0.04 3.32 2.47 -0.39 -4.98 114.94 116.74 3k2x s ASN 130 Ca -0.15 -0.18 0.02 0.00 0.42 0.00 0.00 52.86 52.97 3k2x s ASN 130 Cb -0.16 -0.07 0.01 0.00 -1.45 0.00 0.00 41.25 39.58 3k2x s ASN 130 CO 0.04 0.04 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.69 3k2x s VAL 131 N -0.33 0.82 0.21 -5.21 1.01 -1.26 -2.27 120.40 113.36 3k2x s VAL 131 Ca 0.01 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.76 3k2x s VAL 131 Cb -0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3k2x s VAL 131 CO -0.00 0.27 -0.20 -0.54 0.00 0.00 0.00 175.10 174.63 3k2x s LYS 132 N 0.49 1.46 -0.01 2.72 1.02 -0.38 -4.97 119.74 120.08 3k2x s LYS 132 Ca -0.08 -1.56 0.04 0.00 0.02 0.00 0.00 55.97 54.38 3k2x s LYS 132 Cb -0.12 -1.56 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 3k2x s LYS 132 CO 0.01 0.31 -0.12 0.00 -0.92 0.00 0.00 175.35 174.63 3k2x s ALA 133 N -2.20 1.01 0.04 5.17 0.00 -1.26 -0.49 121.76 124.03 3k2x s ALA 133 Ca 0.22 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.70 3k2x s ALA 133 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3k2x s ALA 133 CO 0.10 0.23 -0.08 0.15 0.00 0.00 0.00 175.76 176.16 3k2x s LYS 134 N -0.20 0.53 0.74 0.00 -0.14 0.41 -4.94 119.74 116.13 3k2x s LYS 134 Ca 0.03 -0.75 -0.06 0.00 -1.36 0.00 0.00 55.97 53.83 3k2x s LYS 134 Cb -0.06 -0.30 0.10 0.00 -1.68 0.00 0.00 37.83 35.89 3k2x s LYS 134 CO -0.00 0.05 1.04 0.95 -0.76 0.00 0.00 175.35 176.63 3k2x s THR 135 N -1.36 2.23 -0.29 2.17 -4.23 -1.26 -0.93 115.64 111.98 3k2x s THR 135 Ca -0.10 -0.34 0.11 0.00 -1.18 0.00 0.00 61.69 60.18 3k2x s THR 135 Cb -0.10 -2.89 0.67 0.00 1.34 0.00 0.00 72.50 71.52 3k2x s THR 135 CO 0.00 0.00 1.68 -3.20 -0.54 0.00 0.00 174.62 172.57 3k2x n ASN 136 N -2.99 4.29 -4.14 3.99 5.15 -1.26 -4.83 115.26 115.48 3k2x n ASN 136 Ca 0.11 -3.27 -0.35 0.00 -0.60 0.00 0.00 54.58 50.47 3k2x n ASN 136 Cb 0.60 -0.69 -0.01 0.00 -0.53 0.00 0.00 39.78 39.15 3k2x n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3k2x n GLU 137 N -0.39 -3.83 -1.38 1.20 -0.58 -1.26 -0.81 120.64 113.59 3k2x n GLU 137 Ca 0.36 0.44 -0.13 0.00 -0.42 0.00 0.00 57.16 57.40 3k2x n GLU 137 Cb 1.24 -5.21 -0.06 0.00 -0.57 0.00 0.00 31.44 26.84 3k2x n GLU 137 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3k2x n LYS 138 N -4.47 -1.28 -3.66 3.49 2.85 -1.26 -4.99 118.16 108.84 3k2x n LYS 138 Ca 0.07 0.94 -0.37 0.00 -1.05 0.00 0.00 58.31 57.90 3k2x n LYS 138 Cb 0.50 -5.16 -0.07 0.00 -0.65 0.00 0.00 35.03 29.66 3k2x n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3k2x s LEU 139 N -2.98 4.34 0.00 -5.58 1.43 0.01 -4.56 118.68 111.35 3k2x s LEU 139 Ca 0.00 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3k2x s LEU 139 Cb 0.00 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.93 3k2x s LEU 139 CO 0.00 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.45 3k2x n GLY 140 N 2.57 -1.60 0.28 -3.19 0.00 -1.26 -0.78 105.19 101.21 3k2x n GLY 140 Ca -0.15 -1.23 0.05 0.00 0.00 0.00 0.00 46.02 44.68 3k2x n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3k2x h TYR 141 N -0.05 0.29 -0.26 1.61 -0.00 -1.97 -0.90 116.97 115.69 3k2x h TYR 141 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.67 3k2x h TYR 141 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 36.73 36.67 3k2x h TYR 141 CO 0.00 0.24 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.27 3k2x h LEU 142 N 0.30 0.50 -1.54 0.10 3.38 -1.82 0.31 115.31 116.54 3k2x h LEU 142 Ca 0.08 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3k2x h LEU 142 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3k2x h LEU 142 CO -0.01 0.75 -0.22 1.23 0.09 0.00 0.00 178.44 180.28 3k2x h GLY 143 N 0.25 0.00 -0.40 0.83 0.00 -0.32 -2.22 103.07 101.21 3k2x h GLY 143 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3k2x h GLY 143 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.11 3k2x n ARG 144 N -3.71 1.59 -1.80 4.80 1.74 -0.40 -4.34 116.66 114.53 3k2x n ARG 144 Ca -0.01 -0.87 -0.04 0.00 -0.77 0.00 0.00 57.85 56.16 3k2x n ARG 144 Cb 0.33 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 3k2x n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k2x n GLY 145 N 1.12 0.34 0.02 -0.13 0.00 -0.83 -4.93 105.19 100.78 3k2x n GLY 145 Ca 0.18 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.56 3k2x n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k2x n GLU 146 N -1.83 0.17 -3.81 1.61 1.02 0.08 -4.71 120.64 113.16 3k2x n GLU 146 Ca -0.05 0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.06 3k2x n GLU 146 Cb 0.42 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3k2x n GLU 146 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3k2x s GLY 147 N -3.38 -0.04 -0.02 0.62 0.00 -1.24 -0.89 107.32 102.37 3k2x s GLY 147 Ca 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.64 3k2x s GLY 147 CO 0.77 0.67 -0.04 -0.42 0.00 0.00 0.00 173.10 174.08 3k2x s ILE 148 N -2.88 0.39 0.15 0.90 1.01 -0.64 -4.61 121.20 115.53 3k2x s ILE 148 Ca 0.15 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.75 3k2x s ILE 148 Cb -0.03 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 3k2x s ILE 148 CO 0.05 0.15 -0.00 -0.70 0.00 0.00 0.00 174.94 174.44 3k2x s GLU 149 N 0.44 2.43 0.03 2.79 2.12 -0.86 -2.18 118.70 123.47 3k2x s GLU 149 Ca -0.05 -1.05 0.03 0.00 0.36 0.00 0.00 54.97 54.26 3k2x s GLU 149 Cb -0.08 -2.40 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 3k2x s GLU 149 CO -0.00 0.47 -0.09 0.00 -0.54 0.00 0.00 175.26 175.10 3k2x s ALA 150 N -1.62 0.74 0.03 6.30 0.00 -0.17 -0.49 121.76 126.54 3k2x s ALA 150 Ca 0.27 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.63 3k2x s ALA 150 Cb -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3k2x s ALA 150 CO 0.18 0.09 -0.19 -0.65 0.00 0.00 0.00 175.76 175.19 3k2x s GLN 151 N -1.10 1.32 0.01 0.00 -0.21 0.26 -1.37 119.66 118.57 3k2x s GLN 151 Ca -0.03 -0.83 -0.02 0.00 0.02 0.00 0.00 55.36 54.50 3k2x s GLN 151 Cb -0.07 -1.37 -0.01 0.00 1.00 0.00 0.00 33.01 32.55 3k2x s GLN 151 CO 0.01 0.35 0.01 0.00 -2.12 0.00 0.00 175.29 173.54 3k2x s ALA 152 N -0.72 0.01 -0.02 6.09 0.00 -0.20 -0.57 121.76 126.35 3k2x s ALA 152 Ca 0.06 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.61 3k2x s ALA 152 Cb -0.08 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 3k2x s ALA 152 CO 0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 175.76 175.47 3k2x s ALA 153 N -1.38 1.15 0.00 0.00 0.00 -0.20 -0.81 121.76 120.52 3k2x s ALA 153 Ca -0.15 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3k2x s ALA 153 Cb -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3k2x s ALA 153 CO -0.00 0.26 -0.07 0.00 0.00 0.00 0.00 175.76 175.95 3k2x s ALA 154 N -0.20 0.55 -0.08 0.00 0.00 -0.27 -1.36 121.76 120.41 3k2x s ALA 154 Ca 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.69 3k2x s ALA 154 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 3k2x s ALA 154 CO -0.00 0.12 -0.20 -1.17 0.00 0.00 0.00 175.76 174.51 3k2x s LEU 155 N -0.32 2.37 0.28 0.00 2.96 -0.50 -0.79 118.68 122.68 3k2x s LEU 155 Ca 0.01 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3k2x s LEU 155 Cb -0.03 -1.48 -0.06 0.00 0.50 0.00 0.00 46.19 45.13 3k2x s LEU 155 CO -0.00 0.23 0.08 0.68 -1.32 0.00 0.00 176.35 176.02 3k2x s VAL 156 N -0.04 0.79 -0.05 1.68 -7.23 -0.46 -0.17 120.40 114.92 3k2x s VAL 156 Ca -0.05 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 3k2x s VAL 156 Cb -0.14 -2.68 0.02 0.00 0.56 0.00 0.00 36.38 34.14 3k2x s VAL 156 CO 0.05 -0.02 0.11 0.54 -0.31 0.00 0.00 175.10 175.47 3k2x s VAL 157 N -3.59 -0.02 -2.73 1.32 0.11 -0.18 -1.37 120.40 113.94 3k2x s VAL 157 Ca 0.37 0.07 0.26 0.00 -2.93 0.00 0.00 61.98 59.76 3k2x s VAL 157 Cb 0.08 -0.18 0.38 0.00 -1.53 0.00 0.00 36.38 35.14 3k2x s VAL 157 CO 0.14 0.03 1.52 -2.11 -3.33 0.00 0.00 175.10 171.35