#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 5.35 -4.85 6.12 2.03 -1.26 -4.98 116.55 118.96 3k2x n ASP 2 Ca 0.00 -3.11 -0.32 0.00 0.52 0.00 0.00 54.79 51.88 3k2x n ASP 2 Cb 0.00 -1.47 -0.06 0.00 -0.72 0.00 0.00 41.12 38.87 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 0.17 3.38 0.00 -0.67 0.08 -1.26 -0.85 117.98 118.83 3k2x s PHE 3 Ca 0.39 1.28 -0.05 0.00 0.12 0.00 0.00 56.93 58.66 3k2x s PHE 3 Cb 0.04 -2.59 -0.00 0.00 -0.57 0.00 0.00 43.02 39.89 3k2x s PHE 3 CO 0.01 -0.01 0.10 1.03 -0.10 0.00 0.00 175.22 176.25 3k2x s ARG 4 N -3.26 0.41 0.11 0.44 1.81 -0.32 -4.95 118.95 113.19 3k2x s ARG 4 Ca 0.55 -0.40 0.08 0.00 -1.72 0.00 0.00 55.73 54.25 3k2x s ARG 4 Cb -0.10 0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 3k2x s ARG 4 CO 0.20 -0.09 -0.13 0.96 -0.68 0.00 0.00 175.30 175.56 3k2x s ILE 5 N -1.27 3.15 0.12 1.52 -4.36 -1.26 -1.50 121.20 117.60 3k2x s ILE 5 Ca -0.14 -1.37 0.04 0.00 -0.26 0.00 0.00 60.65 58.92 3k2x s ILE 5 Cb -0.08 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 3k2x s ILE 5 CO 0.01 0.10 -0.10 -0.83 0.24 0.00 0.00 174.94 174.36 3k2x s GLY 6 N -2.19 0.94 0.05 6.27 0.00 0.04 -4.00 107.32 108.43 3k2x s GLY 6 Ca 0.20 -1.35 0.01 0.00 0.00 0.00 0.00 44.72 43.58 3k2x s GLY 6 CO 0.12 -1.44 -0.06 -0.86 0.00 0.00 0.00 173.10 170.87 3k2x s GLN 7 N -3.36 0.57 0.02 2.90 1.03 -1.26 -1.33 119.66 118.23 3k2x s GLN 7 Ca 0.11 -0.94 -0.08 0.00 0.04 0.00 0.00 55.36 54.49 3k2x s GLN 7 Cb 0.01 -0.10 0.00 0.00 0.03 0.00 0.00 33.01 32.95 3k2x s GLN 7 CO -0.00 -0.01 0.16 0.20 -2.54 0.00 0.00 175.29 173.09 3k2x s GLY 8 N -2.13 0.05 -0.03 2.60 0.00 -0.23 -3.71 107.32 103.86 3k2x s GLY 8 Ca -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.47 3k2x s GLY 8 CO -0.03 -0.35 0.07 -0.47 0.00 0.00 0.00 173.10 172.32 3k2x s TYR 9 N -1.84 -0.07 0.04 1.90 5.04 -1.26 -1.09 117.35 120.06 3k2x s TYR 9 Ca -0.11 0.19 -0.13 0.00 -2.44 0.00 0.00 57.07 54.58 3k2x s TYR 9 Cb -0.05 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.29 3k2x s TYR 9 CO -0.00 -0.04 0.29 0.34 -1.34 0.00 0.00 175.55 174.79 3k2x s ASP 10 N 0.14 -0.11 -0.08 4.32 2.15 -0.33 -4.64 116.67 118.12 3k2x s ASP 10 Ca -0.01 -0.18 -0.10 0.00 0.43 0.00 0.00 52.55 52.68 3k2x s ASP 10 Cb -0.02 0.34 0.02 0.00 -0.30 0.00 0.00 42.92 42.97 3k2x s ASP 10 CO -0.00 -0.59 0.27 0.54 -0.17 0.00 0.00 175.17 175.22 3k2x s VAL 11 N -2.42 0.02 0.06 1.11 0.11 -1.26 -1.43 120.40 116.58 3k2x s VAL 11 Ca -0.06 -0.13 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 3k2x s VAL 11 Cb -0.01 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 3k2x s VAL 11 CO -0.03 -0.07 -0.09 -1.00 -3.33 0.00 0.00 175.10 170.58 3k2x s HIS 12 N -0.22 0.83 0.44 1.54 3.76 -0.87 -5.00 115.29 115.77 3k2x s HIS 12 Ca -0.03 -0.55 -0.23 0.00 -0.15 0.00 0.00 55.06 54.09 3k2x s HIS 12 Cb -0.03 -0.48 -0.08 0.00 1.11 0.00 0.00 32.58 33.10 3k2x s HIS 12 CO 0.01 -0.06 1.13 -0.65 -0.85 0.00 0.00 174.74 174.33 3k2x s GLN 13 N -1.98 3.89 -0.21 1.40 -0.21 -1.26 -1.42 119.66 119.87 3k2x s GLN 13 Ca -0.05 1.70 -0.14 0.00 0.02 0.00 0.00 55.36 56.90 3k2x s GLN 13 Cb -0.08 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 3k2x s GLN 13 CO 0.00 -0.42 0.30 -0.51 -2.12 0.00 0.00 175.29 172.54 3k2x s LEU 14 N -2.89 4.16 0.10 2.90 1.43 -0.34 -0.94 118.68 123.09 3k2x s LEU 14 Ca 0.62 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 54.14 3k2x s LEU 14 Cb -0.27 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 3k2x s LEU 14 CO 0.33 -0.00 -0.10 0.68 0.23 0.00 0.00 176.35 177.49 3k2x s VAL 15 N 1.09 0.93 0.64 -1.59 -7.23 0.40 -4.82 120.40 109.81 3k2x s VAL 15 Ca 0.15 -1.65 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 3k2x s VAL 15 Cb -0.14 -1.37 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 3k2x s VAL 15 CO 0.06 -0.57 1.13 -2.16 -0.31 0.00 0.00 175.10 173.26 3k2x s PRO 16 N -2.82 2.85 0.00 4.82 0.04 -1.26 -0.68 135.00 137.95 3k2x s PRO 16 Ca 0.06 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3k2x s PRO 16 Cb -0.03 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3k2x s PRO 16 CO -0.00 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.21 3k2x n GLY 17 N -0.17 0.77 3.54 0.56 0.00 -1.25 -4.82 105.19 103.82 3k2x n GLY 17 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.46 2.45 0.43 1.61 1.81 -1.26 -4.99 118.95 118.54 3k2x s ARG 18 Ca 0.00 -0.76 -0.26 0.00 -1.72 0.00 0.00 55.73 52.99 3k2x s ARG 18 Cb 0.00 -2.42 -0.09 0.00 -0.45 0.00 0.00 34.95 32.00 3k2x s ARG 18 CO 0.00 0.60 1.41 -1.25 -0.68 0.00 0.00 175.30 175.38 3k2x s PRO 19 N -1.25 3.81 -0.44 3.54 0.04 -1.26 -1.80 135.00 137.64 3k2x s PRO 19 Ca 0.15 2.39 -0.20 0.00 0.04 0.00 0.00 61.00 63.38 3k2x s PRO 19 Cb -0.11 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.73 3k2x s PRO 19 CO 0.05 -0.70 0.60 -1.17 0.04 0.00 0.00 177.00 175.82 3k2x s LEU 20 N -2.56 4.62 -0.18 -3.56 2.96 -1.26 -3.50 118.68 115.21 3k2x s LEU 20 Ca 0.59 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 3k2x s LEU 20 Cb -0.43 -2.63 0.04 0.00 0.50 0.00 0.00 46.19 43.68 3k2x s LEU 20 CO 0.56 -0.75 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.12 3k2x s ILE 21 N 2.67 1.39 -0.04 6.68 1.01 -1.26 -0.58 121.20 131.06 3k2x s ILE 21 Ca 0.20 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3k2x s ILE 21 Cb -0.15 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.83 3k2x s ILE 21 CO 0.17 0.16 -0.04 -0.63 0.00 0.00 0.00 174.94 174.59 3k2x s ILE 22 N 1.51 0.52 -1.79 2.92 1.01 -0.79 -4.18 121.20 120.39 3k2x s ILE 22 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3k2x s ILE 22 Cb -0.16 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.77 3k2x s ILE 22 CO -0.08 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.69 3k2x n GLY 23 N 3.99 -0.07 3.21 6.18 0.00 -1.26 -1.55 105.19 115.68 3k2x n GLY 23 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.93 0.70 3.67 -0.02 0.00 -1.26 -4.44 105.19 102.90 3k2x n GLY 24 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.07 5.16 -0.31 1.61 1.01 -0.60 -5.05 120.40 119.15 3k2x s VAL 25 Ca 0.00 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.52 3k2x s VAL 25 Cb 0.00 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3k2x s VAL 25 CO 0.00 0.22 1.12 -0.89 0.00 0.00 0.00 175.10 175.55 3k2x s THR 26 N 1.43 4.44 -0.20 3.92 2.01 -1.26 -1.89 115.64 124.10 3k2x s THR 26 Ca 0.22 1.66 -0.06 0.00 0.31 0.00 0.00 61.69 63.82 3k2x s THR 26 Cb -0.15 -4.36 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 3k2x s THR 26 CO 0.09 -0.47 0.02 -0.63 -0.69 0.00 0.00 174.62 172.94 3k2x s ILE 27 N 3.76 4.18 0.08 1.82 1.01 0.25 -5.02 121.20 127.28 3k2x s ILE 27 Ca 0.47 -0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.58 3k2x s ILE 27 Cb -0.13 -2.89 -0.10 0.00 0.01 0.00 0.00 42.46 39.34 3k2x s ILE 27 CO 0.16 0.43 1.89 -2.65 0.00 0.00 0.00 174.94 174.77 3k2x n PRO 28 N 4.13 2.78 -3.63 2.79 -0.02 -1.26 -4.33 135.00 135.47 3k2x n PRO 28 Ca -0.17 1.01 -0.05 0.00 -2.02 0.00 0.00 63.50 62.27 3k2x n PRO 28 Cb 0.52 -2.93 -0.05 0.00 -0.02 0.00 0.00 33.50 31.02 3k2x n PRO 28 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3k2x s TYR 29 N 3.42 -0.19 -0.95 6.00 5.04 -1.26 -5.00 117.35 124.41 3k2x s TYR 29 Ca 0.85 0.38 0.24 0.00 -2.44 0.00 0.00 57.07 56.10 3k2x s TYR 29 Cb -0.48 0.46 1.01 0.00 0.35 0.00 0.00 41.96 43.30 3k2x s TYR 29 CO 0.40 -0.14 1.77 0.39 -1.34 0.00 0.00 175.55 176.63 3k2x n GLU 30 N 1.08 0.03 -4.33 4.97 4.71 -1.26 -4.74 120.64 121.10 3k2x n GLU 30 Ca -0.07 0.11 -0.17 0.00 -0.01 0.00 0.00 57.16 57.02 3k2x n GLU 30 Cb 0.58 -1.55 -0.10 0.00 -1.01 0.00 0.00 31.44 29.36 3k2x n GLU 30 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3k2x s ARG 31 N -3.02 1.29 0.32 3.49 0.52 -1.26 -3.97 118.95 116.31 3k2x s ARG 31 Ca 0.11 -1.60 0.06 0.00 -0.52 0.00 0.00 55.73 53.78 3k2x s ARG 31 Cb 0.15 -0.87 -0.03 0.00 0.52 0.00 0.00 34.95 34.72 3k2x s ARG 31 CO 0.45 0.07 0.24 0.20 0.02 0.00 0.00 175.30 176.29 3k2x s GLY 32 N -3.29 2.23 0.10 -3.53 0.00 0.15 -3.99 107.32 98.99 3k2x s GLY 32 Ca 0.23 -1.95 -0.24 0.00 0.00 0.00 0.00 44.72 42.75 3k2x s GLY 32 CO 0.06 -1.49 0.74 1.08 0.00 0.00 0.00 173.10 173.49 3k2x s LEU 33 N -3.36 4.53 -0.19 0.66 1.43 -1.23 -0.45 118.68 120.06 3k2x s LEU 33 Ca 0.39 1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 54.86 3k2x s LEU 33 Cb 0.03 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 3k2x s LEU 33 CO 0.24 0.14 0.34 -0.22 0.23 0.00 0.00 176.35 177.08 3k2x s LEU 34 N -0.70 4.18 0.08 1.79 2.96 -0.12 -4.71 118.68 122.16 3k2x s LEU 34 Ca 0.36 0.47 -0.26 0.00 -0.22 0.00 0.00 54.13 54.47 3k2x s LEU 34 Cb -0.22 -2.43 0.09 0.00 0.50 0.00 0.00 46.19 44.14 3k2x s LEU 34 CO 0.24 -0.00 1.15 -0.83 -1.32 0.00 0.00 176.35 175.58 3k2x s GLY 35 N 0.86 -0.17 0.04 7.98 0.00 -1.26 -4.37 107.32 110.41 3k2x s GLY 35 Ca 0.17 0.15 -0.17 0.00 0.00 0.00 0.00 44.72 44.87 3k2x s GLY 35 CO 0.06 1.82 1.14 0.84 0.00 0.00 0.00 173.10 176.96 3k2x h HIS 36 N 2.00 0.84 -1.03 1.90 2.76 -1.94 -3.44 115.15 116.24 3k2x h HIS 36 Ca -0.27 -0.46 0.00 0.00 -2.20 0.00 0.00 60.37 57.44 3k2x h HIS 36 Cb 1.21 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.08 3k2x h HIS 36 CO 0.84 1.29 0.00 -1.13 -1.30 0.00 0.00 177.93 177.63 3k2x n SER 37 N -4.02 0.00 0.00 3.26 3.41 -1.22 0.95 113.62 116.00 3k2x n SER 37 Ca -0.11 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.59 3k2x n SER 37 Cb 0.79 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.25 3k2x n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3k2x n ASP 38 N 0.00 0.00 -2.38 4.04 5.68 -0.66 -4.23 116.55 118.99 3k2x n ASP 38 Ca 0.00 -0.58 -0.19 0.00 -0.50 0.00 0.00 54.79 53.52 3k2x n ASP 38 Cb 0.00 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 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 -0.98 -0.70 -2.26 2.12 0.00 -1.26 -4.72 120.51 112.70 3k2x n ALA 39 Ca 0.13 0.21 -0.38 0.00 0.00 0.00 0.00 53.44 53.40 3k2x n ALA 39 Cb 0.06 -2.79 -0.03 0.00 0.00 0.00 0.00 19.45 16.68 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 -2.49 5.66 0.27 0.00 -1.08 -1.26 -4.80 116.67 112.97 3k2x s ASP 40 Ca 0.14 -0.23 -0.01 0.00 -0.52 0.00 0.00 52.55 51.93 3k2x s ASP 40 Cb -0.06 -2.55 0.38 0.00 -1.46 0.00 0.00 42.92 39.23 3k2x s ASP 40 CO 0.18 -2.17 1.78 1.62 0.52 0.00 0.00 175.17 177.10 3k2x h VAL 41 N 6.65 1.24 -0.08 1.11 3.04 -1.91 -1.40 116.25 124.91 3k2x h VAL 41 Ca -0.17 -0.97 -0.04 0.00 -1.01 0.00 0.00 66.70 64.51 3k2x h VAL 41 Cb 1.09 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 31.26 3k2x h VAL 41 CO 1.26 0.34 -0.09 0.25 -1.01 0.00 0.00 177.57 178.32 3k2x h LEU 42 N 0.70 0.21 -0.96 3.16 5.85 -1.90 -1.92 115.31 120.45 3k2x h LEU 42 Ca 0.14 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 3k2x h LEU 42 Cb 0.43 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3k2x h LEU 42 CO 0.02 0.67 0.27 -0.07 -0.34 0.00 0.00 178.44 178.99 3k2x h LEU 43 N -0.24 0.93 -0.44 2.25 3.38 -1.87 -1.74 115.31 117.57 3k2x h LEU 43 Ca 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3k2x h LEU 43 Cb 0.62 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3k2x h LEU 43 CO 0.02 0.84 0.24 0.45 0.09 0.00 0.00 178.44 180.08 3k2x h HIS 44 N 0.99 0.61 -0.57 1.13 3.86 -1.24 0.14 115.15 120.07 3k2x h HIS 44 Ca 0.23 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.44 3k2x h HIS 44 Cb 0.20 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 3k2x h HIS 44 CO 0.02 0.46 0.35 0.00 0.86 0.00 0.00 177.93 179.62 3k2x h ALA 45 N 1.09 0.73 -0.54 2.45 0.00 -1.08 -0.41 119.26 121.50 3k2x h ALA 45 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3k2x h ALA 45 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3k2x h ALA 45 CO -0.02 0.09 0.09 0.82 0.00 0.00 0.00 179.25 180.23 3k2x h ILE 46 N 0.71 1.25 -0.47 0.00 2.04 -1.07 -1.00 117.51 118.97 3k2x h ILE 46 Ca 0.22 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 65.16 3k2x h ILE 46 Cb -0.01 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3k2x h ILE 46 CO -0.08 0.35 0.24 0.74 0.00 0.00 0.00 178.15 179.40 3k2x h THR 47 N 0.78 0.98 -0.41 -0.27 2.02 -0.64 -0.91 112.91 114.46 3k2x h THR 47 Ca 0.16 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3k2x h THR 47 Cb 0.41 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3k2x h THR 47 CO 0.01 0.09 0.26 0.44 0.37 0.00 0.00 175.52 176.68 3k2x h ASP 48 N 0.48 0.49 -0.91 4.18 5.19 -0.89 -0.54 116.42 124.41 3k2x h ASP 48 Ca 0.20 -0.04 0.09 0.00 -0.62 0.00 0.00 57.03 56.66 3k2x h ASP 48 Cb 0.10 -0.12 -0.07 0.00 0.18 0.00 0.00 39.33 39.41 3k2x h ASP 48 CO -0.14 0.38 0.56 0.00 -3.12 0.00 0.00 179.24 176.93 3k2x h ALA 49 N 1.12 1.31 -0.08 3.45 0.00 -0.71 0.79 119.26 125.14 3k2x h ALA 49 Ca 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3k2x h ALA 49 Cb -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3k2x h ALA 49 CO -0.03 0.23 -0.13 -0.07 0.00 0.00 0.00 179.25 179.25 3k2x h LEU 50 N 0.95 0.26 -1.18 0.00 3.38 -0.81 0.23 115.31 118.14 3k2x h LEU 50 Ca 0.43 -0.53 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3k2x h LEU 50 Cb 0.33 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3k2x h LEU 50 CO -0.23 0.74 0.57 -0.26 0.09 0.00 0.00 178.44 179.35 3k2x h PHE 51 N -0.22 1.02 -0.30 1.13 0.04 -1.03 -2.59 116.94 114.99 3k2x h PHE 51 Ca 0.01 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 3k2x h PHE 51 Cb 0.69 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 3k2x h PHE 51 CO 0.10 0.57 0.03 0.78 -0.60 0.00 0.00 178.31 179.19 3k2x h GLY 52 N 1.03 0.55 1.09 -1.45 0.00 -0.58 0.02 103.07 103.73 3k2x h GLY 52 Ca 0.36 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.35 3k2x h GLY 52 CO -0.12 0.35 0.49 0.00 0.00 0.00 0.00 176.54 177.27 3k2x h ALA 53 N 0.86 1.61 -0.01 3.60 0.00 -0.79 -1.60 119.26 122.93 3k2x h ALA 53 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k2x h ALA 53 Cb 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3k2x h ALA 53 CO 0.01 0.29 -0.10 0.00 0.00 0.00 0.00 179.25 179.45 3k2x n ALA 54 N -2.43 2.77 -3.65 0.00 0.00 -0.99 -4.61 120.51 111.60 3k2x n ALA 54 Ca 0.10 -0.33 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 3k2x n ALA 54 Cb 0.17 -1.28 0.06 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.64 -1.75 -0.86 0.00 0.00 -0.60 -4.91 120.51 111.75 3k2x n ALA 55 Ca 0.16 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.72 3k2x n ALA 55 Cb 0.29 -3.22 0.25 0.00 0.00 0.00 0.00 19.45 16.77 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 -4.45 3.82 0.00 0.00 4.77 -0.10 -5.04 117.00 116.00 3k2x n LEU 56 Ca -0.17 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 3k2x n LEU 56 Cb 0.62 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3k2x n LEU 56 CO 0.67 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 3k2x n GLY 57 N -0.28 1.10 3.51 -0.72 0.00 -1.26 -4.90 105.19 102.63 3k2x n GLY 57 Ca 0.20 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 0.59 0.34 1.61 1.47 -1.26 -4.01 116.67 111.42 3k2x s ASP 58 Ca 0.00 -1.34 0.04 0.00 1.18 0.00 0.00 52.55 52.43 3k2x s ASP 58 Cb 0.00 0.63 0.63 0.00 -0.34 0.00 0.00 42.92 43.84 3k2x s ASP 58 CO 0.00 -1.25 1.92 -0.29 0.68 0.00 0.00 175.17 176.23 3k2x h ILE 59 N 2.17 1.18 -0.36 2.11 2.10 -1.91 -1.66 117.51 121.15 3k2x h ILE 59 Ca -0.28 -0.63 -0.09 0.00 1.08 0.00 0.00 64.86 64.94 3k2x h ILE 59 Cb 1.24 0.76 -0.02 0.00 -1.09 0.00 0.00 36.82 37.72 3k2x h ILE 59 CO 0.39 0.23 -0.14 1.23 -1.08 0.00 0.00 178.15 178.78 3k2x h GLY 60 N 0.80 0.70 1.01 8.18 0.00 -1.97 0.78 103.07 112.57 3k2x h GLY 60 Ca 0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3k2x h GLY 60 CO -0.00 0.48 0.40 -0.09 0.00 0.00 0.00 176.54 177.32 3k2x h ARG 61 N 0.58 1.02 0.04 4.80 2.43 -1.70 -3.20 114.38 118.36 3k2x h ARG 61 Ca 0.10 -0.12 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 3k2x h ARG 61 Cb 0.58 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3k2x h ARG 61 CO 0.04 0.76 -1.61 0.45 -1.51 0.00 0.00 179.97 178.10 3k2x h HIS 62 N 1.01 0.16 -2.45 2.20 3.86 -1.16 -3.42 115.15 115.35 3k2x h HIS 62 Ca 0.26 -0.11 -0.59 0.00 -1.16 0.00 0.00 60.37 58.76 3k2x h HIS 62 Cb 0.04 -0.01 -0.39 0.00 1.06 0.00 0.00 27.41 28.12 3k2x h HIS 62 CO -0.00 1.18 -0.92 1.19 0.86 0.00 0.00 177.93 180.24 3k2x n PHE 63 N -3.23 -0.24 -1.69 2.45 3.72 0.24 -5.11 117.46 113.61 3k2x n PHE 63 Ca -0.16 -3.47 -0.42 0.00 -0.05 0.00 0.00 57.45 53.34 3k2x n PHE 63 Cb 1.03 0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 39.64 3k2x n PHE 63 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3k2x s SER 64 N -0.26 6.30 -0.76 4.37 1.04 -1.21 -4.51 113.70 118.67 3k2x s SER 64 Ca 0.32 2.50 -0.26 0.00 0.48 0.00 0.00 55.95 58.99 3k2x s SER 64 Cb 0.04 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.64 3k2x s SER 64 CO -0.19 -1.20 1.50 1.51 0.98 0.00 0.00 173.24 175.84 3k2x s ASP 65 N 5.00 5.91 0.00 7.02 -4.77 -1.26 -5.03 116.67 123.54 3k2x s ASP 65 Ca 0.89 -0.41 0.00 0.00 -3.30 0.00 0.00 52.55 49.73 3k2x s ASP 65 Cb -0.40 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 38.87 3k2x s ASP 65 CO 0.40 -1.99 0.00 0.49 0.70 0.00 0.00 175.17 174.76 3k2x n PHE 70 N 10.50 0.00 -2.18 2.11 3.72 -1.26 -5.00 117.46 125.35 3k2x n PHE 70 Ca 0.15 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.12 3k2x n PHE 70 Cb 0.50 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 3k2x n PHE 70 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3k2x s LYS 71 N -0.50 3.92 -0.58 -1.08 3.01 -1.26 -2.28 119.74 120.98 3k2x s LYS 71 Ca 0.00 1.67 0.00 0.00 -1.01 0.00 0.00 55.97 56.63 3k2x s LYS 71 Cb 0.00 -3.97 0.00 0.00 -1.01 0.00 0.00 37.83 32.85 3k2x s LYS 71 CO 0.00 -1.13 0.00 0.41 0.51 0.00 0.00 175.35 175.14 3k2x n GLY 72 N 4.40 0.69 3.58 -3.33 0.00 0.27 -4.92 105.19 105.87 3k2x n GLY 72 Ca 0.17 -0.18 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3k2x n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2x n ALA 73 N 1.10 -0.43 -2.21 4.61 0.00 -0.96 -4.09 120.51 118.53 3k2x n ALA 73 Ca -0.05 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.35 3k2x n ALA 73 Cb 0.36 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 3k2x n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k2x s ASP 74 N -0.60 6.42 0.46 0.00 -1.08 -1.26 -1.66 116.67 118.96 3k2x s ASP 74 Ca 0.59 1.43 0.31 0.00 -0.52 0.00 0.00 52.55 54.36 3k2x s ASP 74 Cb -0.72 -2.53 1.31 0.00 -1.46 0.00 0.00 42.92 39.52 3k2x s ASP 74 CO 0.60 -1.25 1.92 0.28 0.52 0.00 0.00 175.17 177.23 3k2x h SER 75 N 10.47 0.00 -0.47 -0.34 0.02 -1.96 -2.23 113.55 119.05 3k2x h SER 75 Ca -0.31 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.51 3k2x h SER 75 Cb 1.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3k2x h SER 75 CO 1.02 0.00 -0.22 0.03 -1.14 0.00 0.00 176.83 176.51 3k2x h ARG 76 N 0.00 0.99 -0.71 3.45 3.08 -1.99 0.01 114.38 119.21 3k2x h ARG 76 Ca 0.00 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 3k2x h ARG 76 Cb 0.43 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3k2x h ARG 76 CO 0.00 1.10 0.40 0.00 -1.07 0.00 0.00 179.97 180.40 3k2x h ALA 77 N 0.88 0.91 -0.48 0.04 0.00 -1.81 -0.69 119.26 118.11 3k2x h ALA 77 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k2x h ALA 77 Cb 0.80 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3k2x h ALA 77 CO 0.07 0.41 0.31 -0.07 0.00 0.00 0.00 179.25 179.97 3k2x h LEU 78 N 0.98 0.56 -0.74 0.00 3.38 -1.35 -1.25 115.31 116.89 3k2x h LEU 78 Ca 0.25 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3k2x h LEU 78 Cb 0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3k2x h LEU 78 CO -0.04 0.42 0.46 0.25 0.09 0.00 0.00 178.44 179.61 3k2x h LEU 79 N 0.65 0.87 -0.72 1.67 5.85 -0.69 0.64 115.31 123.57 3k2x h LEU 79 Ca 0.17 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3k2x h LEU 79 Cb -0.06 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 3k2x h LEU 79 CO -0.04 0.66 0.31 0.03 -0.34 0.00 0.00 178.44 179.07 3k2x h ARG 80 N 1.00 1.07 -0.69 1.25 3.08 -0.90 0.31 114.38 119.49 3k2x h ARG 80 Ca 0.27 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3k2x h ARG 80 Cb -0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 3k2x h ARG 80 CO -0.05 0.86 0.22 1.49 -1.07 0.00 0.00 179.97 181.41 3k2x h GLU 81 N 1.03 1.08 -0.17 0.04 4.57 -0.81 -0.87 114.58 119.44 3k2x h GLU 81 Ca 0.24 -0.23 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3k2x h GLU 81 Cb 0.18 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3k2x h GLU 81 CO -0.02 0.93 0.07 0.00 -1.18 0.00 0.00 179.01 178.80 3k2x h ALA 83 N 1.10 1.08 -0.34 0.00 0.00 -0.69 0.15 119.26 120.57 3k2x h ALA 83 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3k2x h ALA 83 Cb 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3k2x h ALA 83 CO -0.07 0.35 0.17 1.03 0.00 0.00 0.00 179.25 180.73 3k2x h SER 84 N 1.03 0.24 -0.50 0.00 0.87 -0.74 -0.18 113.55 114.27 3k2x h SER 84 Ca 0.33 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.80 3k2x h SER 84 Cb 0.01 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3k2x h SER 84 CO -0.12 0.18 -0.09 0.03 -0.53 0.00 0.00 176.83 176.30 3k2x h ARG 85 N 0.35 0.98 -0.56 2.24 3.08 -0.32 0.39 114.38 120.53 3k2x h ARG 85 Ca 0.14 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3k2x h ARG 85 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3k2x h ARG 85 CO -0.10 1.02 0.36 0.28 -1.07 0.00 0.00 179.97 180.46 3k2x h VAL 86 N 0.87 1.15 -0.73 2.04 2.07 -0.57 -0.44 116.25 120.65 3k2x h VAL 86 Ca 0.14 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 3k2x h VAL 86 Cb 0.64 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3k2x h VAL 86 CO 0.04 0.15 0.22 0.00 0.02 0.00 0.00 177.57 178.00 3k2x h ALA 87 N 1.20 0.96 -0.21 1.67 0.00 -0.76 -2.34 119.26 119.77 3k2x h ALA 87 Ca 0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3k2x h ALA 87 Cb -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3k2x h ALA 87 CO -0.04 0.65 -0.11 0.37 0.00 0.00 0.00 179.25 180.11 3k2x h GLN 88 N 1.09 0.34 0.00 0.00 5.75 -0.48 -0.13 115.11 121.67 3k2x h GLN 88 Ca 0.23 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3k2x h GLN 88 Cb 0.32 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3k2x h GLN 88 CO -0.01 0.47 0.00 0.00 -2.65 0.00 0.00 178.83 176.64 3k2x n ALA 89 N -2.48 1.73 0.00 3.38 0.00 -0.21 -4.89 120.51 118.03 3k2x n ALA 89 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3k2x n ALA 89 Cb 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.08 1.13 3.76 0.00 0.00 -0.06 -5.09 105.19 105.01 3k2x n GLY 90 Ca 0.04 0.00 -0.36 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 3.34 -0.12 1.61 0.08 -0.91 -4.40 117.98 115.59 3k2x s PHE 91 Ca 0.00 0.32 -0.06 0.00 0.12 0.00 0.00 56.93 57.30 3k2x s PHE 91 Cb 0.00 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 3k2x s PHE 91 CO 0.00 0.55 0.12 0.00 -0.10 0.00 0.00 175.22 175.79 3k2x s ALA 92 N -0.83 3.77 0.02 5.36 0.00 0.55 -3.80 121.76 126.83 3k2x s ALA 92 Ca 0.13 -0.67 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 3k2x s ALA 92 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 3k2x s ALA 92 CO 0.03 0.59 0.89 0.42 0.00 0.00 0.00 175.76 177.69 3k2x s ILE 93 N -0.93 4.80 -0.27 0.00 1.01 -1.26 -1.03 121.20 123.53 3k2x s ILE 93 Ca 0.14 1.88 -0.03 0.00 0.00 0.00 0.00 60.65 62.64 3k2x s ILE 93 Cb -0.12 -4.24 -0.15 0.00 0.01 0.00 0.00 42.46 37.96 3k2x s ILE 93 CO 0.03 0.24 -0.27 0.54 0.00 0.00 0.00 174.94 175.49 3k2x n ARG 94 N 3.46 0.63 -3.55 2.79 5.12 0.50 -4.96 116.66 120.66 3k2x n ARG 94 Ca 0.03 0.19 -0.09 0.00 -1.93 0.00 0.00 57.85 56.04 3k2x n ARG 94 Cb 0.51 -1.51 -0.02 0.00 -1.16 0.00 0.00 32.46 30.27 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 -6.84 -0.40 -0.01 0.55 4.22 -1.05 -4.85 114.94 106.56 3k2x s ASN 95 Ca -0.36 -0.12 0.03 0.00 -2.14 0.00 0.00 52.86 50.26 3k2x s ASN 95 Cb 0.11 0.51 -0.00 0.00 1.28 0.00 0.00 41.25 43.15 3k2x s ASN 95 CO 0.57 -0.87 -0.09 -0.69 -2.04 0.00 0.00 177.10 173.98 3k2x s VAL 96 N -3.46 0.76 0.12 3.54 1.01 -0.66 -1.46 120.40 120.25 3k2x s VAL 96 Ca 0.05 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.69 3k2x s VAL 96 Cb -0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3k2x s VAL 96 CO -0.07 0.22 -0.13 -0.62 0.00 0.00 0.00 175.10 174.50 3k2x s ASP 97 N -0.10 1.88 0.16 3.32 2.15 -0.30 -1.39 116.67 122.38 3k2x s ASP 97 Ca 0.02 -0.83 -0.23 0.00 0.43 0.00 0.00 52.55 51.94 3k2x s ASP 97 Cb -0.05 -0.05 0.07 0.00 -0.30 0.00 0.00 42.92 42.59 3k2x s ASP 97 CO -0.00 -0.18 0.62 -0.94 -0.17 0.00 0.00 175.17 174.50 3k2x s SER 98 N -2.51 -0.54 -0.01 -0.34 1.04 -0.93 -0.80 113.70 109.59 3k2x s SER 98 Ca 0.09 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.49 3k2x s SER 98 Cb -0.04 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3k2x s SER 98 CO 0.02 -0.97 -0.02 -0.89 0.98 0.00 0.00 173.24 172.36 3k2x s THR 99 N -3.73 0.20 -0.12 2.02 2.01 -0.23 -1.42 115.64 114.38 3k2x s THR 99 Ca 0.02 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 3k2x s THR 99 Cb -0.01 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 3k2x s THR 99 CO -0.12 0.10 0.01 -0.63 -0.69 0.00 0.00 174.62 173.29 3k2x s ILE 100 N 0.42 4.38 -0.22 1.82 1.01 0.10 -0.78 121.20 127.93 3k2x s ILE 100 Ca -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3k2x s ILE 100 Cb -0.07 -2.88 0.02 0.00 0.01 0.00 0.00 42.46 39.54 3k2x s ILE 100 CO -0.01 0.56 -0.11 -0.63 0.00 0.00 0.00 174.94 174.75 3k2x s ILE 101 N -0.43 2.64 -0.20 2.92 1.01 0.53 -0.78 121.20 126.89 3k2x s ILE 101 Ca 0.08 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 3k2x s ILE 101 Cb -0.12 -2.26 0.05 0.00 0.01 0.00 0.00 42.46 40.14 3k2x s ILE 101 CO 0.02 0.33 0.51 0.00 0.00 0.00 0.00 174.94 175.80 3k2x s ALA 102 N 1.32 -1.29 0.22 9.38 0.00 -0.53 -2.00 121.76 128.85 3k2x s ALA 102 Ca 0.02 1.57 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 3k2x s ALA 102 Cb -0.15 -0.92 0.21 0.00 0.00 0.00 0.00 23.12 22.25 3k2x s ALA 102 CO -0.07 -0.26 1.65 0.37 0.00 0.00 0.00 175.76 177.44 3k2x h GLN 103 N 5.85 0.77 -2.36 0.00 -0.00 -1.85 -3.37 115.11 114.16 3k2x h GLN 103 Ca -0.30 -0.30 0.06 0.00 -0.00 0.00 0.00 58.65 58.11 3k2x h GLN 103 Cb 1.18 -0.04 -0.16 0.00 0.00 0.00 0.00 27.48 28.46 3k2x h GLN 103 CO 0.20 0.91 0.40 0.00 0.00 0.00 0.00 178.83 180.34 3k2x s ALA 104 N -4.65 -1.77 1.03 3.38 0.00 -1.26 -4.84 121.76 113.64 3k2x s ALA 104 Ca -0.09 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 3k2x s ALA 104 Cb 0.13 0.37 0.16 0.00 0.00 0.00 0.00 23.12 23.78 3k2x s ALA 104 CO 0.83 -0.64 0.86 -0.35 0.00 0.00 0.00 175.76 176.46 3k2x n PRO 105 N -0.07 -1.13 -1.95 0.00 -0.04 -1.26 -5.06 135.00 125.50 3k2x n PRO 105 Ca -0.12 -1.34 -0.42 0.00 -0.04 0.00 0.00 63.50 61.58 3k2x n PRO 105 Cb 0.62 -0.94 -0.03 0.00 -0.04 0.00 0.00 33.50 33.11 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 -4.89 4.18 0.02 0.54 0.00 -1.26 -4.91 119.74 113.42 3k2x s LYS 106 Ca 0.50 2.28 0.22 0.00 0.00 0.00 0.00 55.97 58.96 3k2x s LYS 106 Cb -0.02 -3.92 -0.25 0.00 0.00 0.00 0.00 37.83 33.64 3k2x s LYS 106 CO 0.35 -0.83 0.61 1.28 0.00 0.00 0.00 175.35 176.76 3k2x n LEU 107 N 6.84 0.22 -0.31 2.77 4.77 -1.26 -4.56 117.00 125.46 3k2x n LEU 107 Ca 0.17 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.36 3k2x n LEU 107 Cb 0.42 -0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.80 3k2x n LEU 107 CO 0.63 -0.03 1.10 0.00 -1.33 0.00 0.00 177.39 177.76 3k2x h ALA 108 N 1.97 1.47 0.00 -1.18 0.00 -1.98 0.14 119.26 119.67 3k2x h ALA 108 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3k2x h ALA 108 Cb 1.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3k2x h ALA 108 CO 0.00 -0.21 0.00 -2.30 0.00 0.00 0.00 179.25 176.75 3k2x n PRO 109 N -4.92 0.17 0.00 0.00 -0.02 -1.26 -2.84 135.00 126.13 3k2x n PRO 109 Ca 0.21 0.53 0.05 0.00 -2.02 0.00 0.00 63.50 62.28 3k2x n PRO 109 Cb 0.58 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 3k2x n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3k2x n HIS 110 N -2.25 0.00 -0.13 6.00 8.25 0.44 -4.73 115.22 122.80 3k2x n HIS 110 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 3k2x n HIS 110 Cb 0.13 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 0.35 1.14 -0.70 1.59 1.08 -1.27 -2.05 117.51 117.65 3k2x h ILE 111 Ca 0.00 -0.34 -0.04 0.00 -0.39 0.00 0.00 64.86 64.08 3k2x h ILE 111 Cb 0.30 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 3k2x h ILE 111 CO 0.00 0.14 0.26 0.44 -0.69 0.00 0.00 178.15 178.30 3k2x h ASP 112 N 0.51 0.97 -0.80 1.72 3.32 -1.85 -0.91 116.42 119.39 3k2x h ASP 112 Ca 0.14 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3k2x h ASP 112 Cb 0.03 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 3k2x h ASP 112 CO -0.02 0.88 0.49 0.00 -1.72 0.00 0.00 179.24 178.86 3k2x h ALA 113 N 1.26 1.01 -0.39 3.45 0.00 -1.81 -1.15 119.26 121.64 3k2x h ALA 113 Ca 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k2x h ALA 113 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3k2x h ALA 113 CO -0.02 0.47 0.20 0.52 0.00 0.00 0.00 179.25 180.43 3k2x h MET 114 N 1.09 0.55 -0.61 0.00 2.86 -0.77 -1.17 114.93 116.88 3k2x h MET 114 Ca 0.29 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 3k2x h MET 114 Cb -0.05 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 3k2x h MET 114 CO -0.06 0.47 0.35 0.00 1.06 0.00 0.00 176.91 178.73 3k2x h ARG 115 N 0.49 0.66 -0.74 1.72 3.08 -1.00 -1.19 114.38 117.40 3k2x h ARG 115 Ca 0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3k2x h ARG 115 Cb 0.09 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3k2x h ARG 115 CO -0.02 0.44 0.40 0.00 -1.07 0.00 0.00 179.97 179.72 3k2x h ALA 116 N 1.29 0.95 -0.33 0.04 0.00 -0.94 -0.54 119.26 119.73 3k2x h ALA 116 Ca 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3k2x h ALA 116 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3k2x h ALA 116 CO -0.13 0.47 0.14 -0.91 0.00 0.00 0.00 179.25 178.82 3k2x h ASN 117 N 1.03 0.45 -0.31 0.00 2.35 -0.71 -1.48 115.58 116.90 3k2x h ASN 117 Ca 0.26 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3k2x h ASN 117 Cb 0.04 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3k2x h ASN 117 CO -0.04 0.47 0.13 0.40 -1.65 0.00 0.00 177.43 176.74 3k2x h ILE 118 N 0.39 1.18 -0.65 2.81 2.04 -1.08 -0.01 117.51 122.18 3k2x h ILE 118 Ca 0.11 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.47 3k2x h ILE 118 Cb 0.16 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 3k2x h ILE 118 CO -0.01 0.19 0.39 0.00 0.00 0.00 0.00 178.15 178.71 3k2x h ALA 119 N 0.97 0.86 -0.15 1.87 0.00 -1.02 -0.69 119.26 121.10 3k2x h ALA 119 Ca 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3k2x h ALA 119 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3k2x h ALA 119 CO -0.01 0.11 0.08 0.00 0.00 0.00 0.00 179.25 179.43 3k2x h ALA 120 N 1.31 0.18 -0.02 0.00 0.00 -0.94 0.10 119.26 119.89 3k2x h ALA 120 Ca 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3k2x h ALA 120 Cb 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3k2x h ALA 120 CO -0.14 -0.35 -0.38 -0.44 0.00 0.00 0.00 179.25 177.94 3k2x h ASP 121 N 0.17 0.05 -0.06 0.00 3.32 -0.44 -2.56 116.42 116.90 3k2x h ASP 121 Ca 0.06 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3k2x h ASP 121 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3k2x h ASP 121 CO -0.03 0.42 0.00 0.18 -1.72 0.00 0.00 179.24 178.09 3k2x n LEU 122 N -4.08 2.36 -3.82 1.55 4.77 -0.32 -4.51 117.00 112.95 3k2x n LEU 122 Ca -0.02 -0.82 -0.25 0.00 -0.03 0.00 0.00 56.01 54.89 3k2x n LEU 122 Cb 0.42 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 3k2x n LEU 122 CO 0.39 0.41 -0.15 -0.67 -1.33 0.00 0.00 177.39 176.04 3k2x n ASP 123 N 0.84 -1.39 -4.54 -1.43 2.03 -0.19 -4.97 116.55 106.91 3k2x n ASP 123 Ca 0.16 -0.94 -0.27 0.00 0.52 0.00 0.00 54.79 54.26 3k2x n ASP 123 Cb 0.49 -3.46 -0.10 0.00 -0.72 0.00 0.00 41.12 37.33 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 -6.78 2.85 0.72 -2.67 1.43 0.19 -5.04 118.68 109.38 3k2x s LEU 124 Ca 0.08 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 3k2x s LEU 124 Cb -0.03 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.65 3k2x s LEU 124 CO 0.86 0.12 1.12 -2.16 0.23 0.00 0.00 176.35 176.52 3k2x s PRO 125 N -2.67 2.43 0.41 1.29 0.04 -1.26 -4.47 135.00 130.76 3k2x s PRO 125 Ca 0.23 1.41 0.14 0.00 0.04 0.00 0.00 61.00 62.82 3k2x s PRO 125 Cb -0.09 -1.90 1.00 0.00 0.04 0.00 0.00 34.50 33.55 3k2x s PRO 125 CO 0.14 -1.55 1.89 -0.07 0.04 0.00 0.00 177.00 177.45 3k2x h LEU 126 N -0.45 0.46 0.00 -3.56 3.38 -1.93 -2.22 115.31 110.98 3k2x h LEU 126 Ca -0.46 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3k2x h LEU 126 Cb 1.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3k2x h LEU 126 CO 0.52 0.23 0.00 -0.90 0.09 0.00 0.00 178.44 178.37 3k2x n ASP 127 N -4.51 0.00 -0.57 -0.43 5.68 -1.26 -1.84 116.55 113.62 3k2x n ASP 127 Ca 0.16 -0.67 0.06 0.00 -0.50 0.00 0.00 54.79 53.84 3k2x n ASP 127 Cb 0.55 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.69 3k2x n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3k2x n ARG 128 N -0.93 2.82 -4.49 0.11 1.74 -0.84 -4.98 116.66 110.09 3k2x n ARG 128 Ca 0.12 -2.18 -0.23 0.00 -0.77 0.00 0.00 57.85 54.79 3k2x n ARG 128 Cb 0.05 -1.37 -0.16 0.00 -1.02 0.00 0.00 32.46 29.96 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 -1.53 0.96 -0.01 1.55 1.01 -0.77 -1.65 120.40 119.98 3k2x s VAL 129 Ca 0.25 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3k2x s VAL 129 Cb 0.16 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.67 3k2x s VAL 129 CO 0.11 0.30 -0.04 0.21 0.00 0.00 0.00 175.10 175.68 3k2x s ASN 130 N 0.43 0.52 -0.06 3.32 2.47 -0.49 -4.98 114.94 116.15 3k2x s ASN 130 Ca -0.08 -0.08 0.01 0.00 0.42 0.00 0.00 52.86 53.13 3k2x s ASN 130 Cb -0.12 -0.09 0.02 0.00 -1.45 0.00 0.00 41.25 39.61 3k2x s ASN 130 CO 0.02 0.04 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.68 3k2x s VAL 131 N 0.03 0.75 0.09 -5.21 1.01 -1.26 -2.20 120.40 113.61 3k2x s VAL 131 Ca 0.00 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.85 3k2x s VAL 131 Cb -0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3k2x s VAL 131 CO -0.00 0.28 -0.26 -0.54 0.00 0.00 0.00 175.10 174.57 3k2x s LYS 132 N 0.95 1.57 -0.00 2.72 1.02 -0.51 -4.98 119.74 120.51 3k2x s LYS 132 Ca -0.10 -1.21 0.07 0.00 0.02 0.00 0.00 55.97 54.74 3k2x s LYS 132 Cb -0.15 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 3k2x s LYS 132 CO 0.00 0.47 -0.20 0.00 -0.92 0.00 0.00 175.35 174.70 3k2x s ALA 133 N -0.93 1.71 0.01 5.17 0.00 -1.26 0.02 121.76 126.47 3k2x s ALA 133 Ca 0.12 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 3k2x s ALA 133 Cb -0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3k2x s ALA 133 CO 0.04 0.41 -0.00 0.15 0.00 0.00 0.00 175.76 176.36 3k2x s LYS 134 N -0.65 0.15 0.74 0.00 -0.14 0.04 -4.93 119.74 114.95 3k2x s LYS 134 Ca 0.08 -0.26 -0.07 0.00 -1.36 0.00 0.00 55.97 54.35 3k2x s LYS 134 Cb -0.08 0.05 0.08 0.00 -1.68 0.00 0.00 37.83 36.21 3k2x s LYS 134 CO -0.00 -0.02 1.06 0.95 -0.76 0.00 0.00 175.35 176.57 3k2x s THR 135 N -0.65 2.22 -0.37 2.17 -4.23 -1.26 -1.46 115.64 112.05 3k2x s THR 135 Ca -0.07 -0.25 0.08 0.00 -1.18 0.00 0.00 61.69 60.26 3k2x s THR 135 Cb -0.04 -2.96 0.71 0.00 1.34 0.00 0.00 72.50 71.55 3k2x s THR 135 CO -0.00 0.00 1.85 -3.20 -0.54 0.00 0.00 174.62 172.72 3k2x n ASN 136 N -3.03 4.37 -4.19 3.99 5.15 -1.26 -4.82 115.26 115.47 3k2x n ASN 136 Ca 0.09 -3.39 -0.35 0.00 -0.60 0.00 0.00 54.58 50.33 3k2x n ASN 136 Cb 0.60 -0.78 -0.02 0.00 -0.53 0.00 0.00 39.78 39.05 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 -0.57 -3.26 -1.05 1.20 -0.58 -1.26 -1.49 120.64 113.63 3k2x n GLU 137 Ca 0.48 0.38 -0.02 0.00 -0.42 0.00 0.00 57.16 57.59 3k2x n GLU 137 Cb 1.50 -5.05 -0.01 0.00 -0.57 0.00 0.00 31.44 27.31 3k2x n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3k2x n LYS 138 N -4.40 -0.80 -3.74 3.49 5.02 -1.26 -5.00 118.16 111.46 3k2x n LYS 138 Ca 0.03 0.32 -0.37 0.00 -2.02 0.00 0.00 58.31 56.28 3k2x n LYS 138 Cb 0.51 -4.00 -0.07 0.00 -0.02 0.00 0.00 35.03 31.46 3k2x n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k2x s LEU 139 N -0.37 4.34 0.00 -0.35 1.43 -0.55 -4.66 118.68 118.51 3k2x s LEU 139 Ca 0.00 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 3k2x s LEU 139 Cb 0.00 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3k2x s LEU 139 CO 0.00 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.49 3k2x n GLY 140 N 2.50 -1.29 0.24 -3.19 0.00 -1.26 -0.63 105.19 101.57 3k2x n GLY 140 Ca -0.17 -1.19 0.08 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 0.00 -0.22 1.61 -0.00 -1.97 0.80 116.97 117.18 3k2x h TYR 141 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.61 3k2x h TYR 141 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 3k2x h TYR 141 CO 0.00 0.13 -0.33 -0.07 -0.00 0.00 0.00 178.16 177.89 3k2x h LEU 142 N 0.00 0.68 -1.68 0.10 3.38 -1.84 -0.05 115.31 115.90 3k2x h LEU 142 Ca -0.00 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 3k2x h LEU 142 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3k2x h LEU 142 CO 0.02 1.06 -0.06 1.23 0.09 0.00 0.00 178.44 180.78 3k2x h GLY 143 N 0.31 0.14 -0.11 0.83 0.00 0.64 -1.39 103.07 103.48 3k2x h GLY 143 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3k2x h GLY 143 CO 0.08 0.07 0.00 0.54 0.00 0.00 0.00 176.54 177.22 3k2x n ARG 144 N -4.39 1.42 -2.34 4.80 1.74 0.12 -4.70 116.66 113.32 3k2x n ARG 144 Ca -0.01 -0.62 -0.15 0.00 -0.77 0.00 0.00 57.85 56.29 3k2x n ARG 144 Cb 0.18 -1.40 -0.00 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.03 -0.24 0.12 -0.13 0.00 -0.52 -4.93 105.19 100.52 3k2x n GLY 145 Ca 0.17 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3k2x n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k2x h GLU 146 N -0.10 0.00 -2.68 1.61 5.08 -1.23 -3.44 114.58 113.82 3k2x h GLU 146 Ca -0.36 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.11 3k2x h GLU 146 Cb 1.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 3k2x h GLU 146 CO 0.42 0.00 0.39 0.20 -1.00 0.00 0.00 179.01 179.02 3k2x s GLY 147 N -3.83 -0.02 -0.02 -3.84 0.00 -1.25 -1.20 107.32 97.15 3k2x s GLY 147 Ca 0.07 -0.24 0.04 0.00 0.00 0.00 0.00 44.72 44.59 3k2x s GLY 147 CO 0.67 0.30 -0.14 -0.42 0.00 0.00 0.00 173.10 173.51 3k2x s ILE 148 N -3.10 1.15 0.13 0.90 1.01 -0.51 -4.69 121.20 116.10 3k2x s ILE 148 Ca 0.14 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.26 3k2x s ILE 148 Cb -0.04 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 3k2x s ILE 148 CO 0.06 0.33 -0.07 -0.70 0.00 0.00 0.00 174.94 174.56 3k2x s GLU 149 N -0.16 2.21 0.05 2.79 2.12 -0.85 -2.05 118.70 122.81 3k2x s GLU 149 Ca 0.02 -1.07 0.03 0.00 0.36 0.00 0.00 54.97 54.31 3k2x s GLU 149 Cb -0.08 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.98 3k2x s GLU 149 CO 0.00 0.49 -0.10 0.00 -0.54 0.00 0.00 175.26 175.11 3k2x s ALA 150 N -1.42 0.78 0.08 6.30 0.00 -0.52 -0.35 121.76 126.64 3k2x s ALA 150 Ca 0.24 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.49 3k2x s ALA 150 Cb -0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3k2x s ALA 150 CO 0.15 0.06 -0.21 -0.65 0.00 0.00 0.00 175.76 175.12 3k2x s GLN 151 N -1.46 1.20 0.04 0.00 -0.21 0.04 -1.19 119.66 118.09 3k2x s GLN 151 Ca -0.06 -1.07 -0.08 0.00 0.02 0.00 0.00 55.36 54.17 3k2x s GLN 151 Cb -0.09 -1.40 -0.00 0.00 1.00 0.00 0.00 33.01 32.51 3k2x s GLN 151 CO 0.01 0.34 0.16 0.00 -2.12 0.00 0.00 175.29 173.67 3k2x s ALA 152 N -1.03 -0.24 0.01 6.09 0.00 -0.25 -1.07 121.76 125.28 3k2x s ALA 152 Ca 0.06 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.64 3k2x s ALA 152 Cb -0.10 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 3k2x s ALA 152 CO 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 175.76 175.39 3k2x s ALA 153 N -2.62 0.46 0.01 0.00 0.00 0.02 -1.07 121.76 118.55 3k2x s ALA 153 Ca -0.05 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3k2x s ALA 153 Cb -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3k2x s ALA 153 CO -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 175.76 175.74 3k2x s ALA 154 N -0.56 0.25 -0.11 0.00 0.00 -0.44 -1.15 121.76 119.75 3k2x s ALA 154 Ca -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3k2x s ALA 154 Cb -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3k2x s ALA 154 CO -0.00 0.02 -0.15 -1.17 0.00 0.00 0.00 175.76 174.46 3k2x s LEU 155 N -0.42 2.64 0.30 0.00 2.96 -0.54 -0.78 118.68 122.84 3k2x s LEU 155 Ca -0.02 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3k2x s LEU 155 Cb -0.03 -1.57 -0.06 0.00 0.50 0.00 0.00 46.19 45.03 3k2x s LEU 155 CO -0.00 0.21 0.05 0.68 -1.32 0.00 0.00 176.35 175.97 3k2x s VAL 156 N 0.07 1.06 -0.01 1.68 -7.23 -0.56 -0.37 120.40 115.04 3k2x s VAL 156 Ca -0.06 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3k2x s VAL 156 Cb -0.15 -2.69 0.02 0.00 0.56 0.00 0.00 36.38 34.12 3k2x s VAL 156 CO 0.05 -0.06 0.03 0.54 -0.31 0.00 0.00 175.10 175.35 3k2x s VAL 157 N -3.39 -0.03 -2.15 1.32 0.11 -0.20 -1.18 120.40 114.88 3k2x s VAL 157 Ca 0.35 0.10 0.31 0.00 -2.93 0.00 0.00 61.98 59.81 3k2x s VAL 157 Cb 0.08 -0.06 0.80 0.00 -1.53 0.00 0.00 36.38 35.67 3k2x s VAL 157 CO 0.14 0.04 2.08 -1.14 -3.33 0.00 0.00 175.10 172.89