#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k n ALA 2 N 0.00 0.23 -2.99 -5.12 0.00 -1.26 -4.54 120.51 106.83 2k4k n ALA 2 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2k4k n ALA 2 Cb 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.20 2k4k n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k n ALA 3 N -2.90 0.00 0.29 0.00 0.00 -1.26 -4.92 120.51 111.72 2k4k n ALA 3 Ca 0.14 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.75 2k4k n ALA 3 Cb 0.50 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.84 2k4k n ALA 3 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k4k h LYS 4 N 0.00 0.00 -5.13 0.00 1.57 -2.03 -3.42 116.57 107.56 2k4k h LYS 4 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 2k4k h LYS 4 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 2k4k h LYS 4 CO 0.00 0.00 -0.68 -0.06 -0.57 0.00 0.00 179.45 178.14 2k4k s PHE 5 N -3.94 1.51 -0.02 -1.35 0.40 -1.26 -5.17 117.98 108.15 2k4k s PHE 5 Ca -0.04 -0.85 -0.05 0.00 -0.60 0.00 0.00 56.93 55.40 2k4k s PHE 5 Cb 0.09 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.79 2k4k s PHE 5 CO 0.30 0.03 0.11 -1.21 0.70 0.00 0.00 175.22 175.15 2k4k s GLU 6 N -3.81 0.32 0.30 0.44 2.02 -1.26 -4.76 118.70 111.95 2k4k s GLU 6 Ca 0.25 -0.19 -0.29 0.00 0.02 0.00 0.00 54.97 54.76 2k4k s GLU 6 Cb 0.04 0.14 -0.13 0.00 0.10 0.00 0.00 34.13 34.28 2k4k s GLU 6 CO 0.06 -0.07 1.26 1.33 0.02 0.00 0.00 175.26 177.87 2k4k n VAL 7 N 2.12 1.68 0.00 2.63 0.24 -1.26 -2.27 118.33 121.47 2k4k n VAL 7 Ca -0.19 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2k4k n VAL 7 Cb 0.57 -1.41 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 2k4k n VAL 7 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k4k n GLY 8 N 1.27 2.92 3.61 7.63 0.00 -0.20 -5.02 105.19 115.40 2k4k n GLY 8 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2k4k n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4k s SER 9 N -1.38 2.20 -0.03 1.61 0.01 -0.96 -4.71 113.70 110.44 2k4k s SER 9 Ca 0.00 1.70 -0.00 0.00 1.31 0.00 0.00 55.95 58.96 2k4k s SER 9 Cb 0.00 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.92 2k4k s SER 9 CO 0.00 -3.47 0.02 -0.69 0.41 0.00 0.00 173.24 169.51 2k4k s VAL 10 N -2.65 0.04 0.31 3.43 1.01 -1.26 -0.55 120.40 120.73 2k4k s VAL 10 Ca 0.67 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.90 2k4k s VAL 10 Cb -0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2k4k s VAL 10 CO 0.61 0.13 0.27 -0.31 0.00 0.00 0.00 175.10 175.79 2k4k s TYR 11 N 1.26 1.63 0.05 5.22 2.02 -0.65 -5.00 117.35 121.89 2k4k s TYR 11 Ca -0.07 -1.60 0.08 0.00 -0.37 0.00 0.00 57.07 55.12 2k4k s TYR 11 Cb -0.13 -0.66 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 2k4k s TYR 11 CO -0.03 -0.85 -0.22 0.99 -1.57 0.00 0.00 175.55 173.87 2k4k s THR 12 N -3.53 2.48 0.24 -0.71 2.01 -1.26 -0.75 115.64 114.12 2k4k s THR 12 Ca 0.40 -1.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.00 2k4k s THR 12 Cb 0.03 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.54 2k4k s THR 12 CO 0.25 0.32 0.44 0.61 -0.69 0.00 0.00 174.62 175.55 2k4k n GLY 13 N 1.56 1.75 3.11 4.40 0.00 -0.21 -4.80 105.19 111.00 2k4k n GLY 13 Ca -0.17 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 2k4k n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4k s LYS 14 N -2.22 1.56 -0.00 1.61 1.02 -0.30 -0.96 119.74 120.45 2k4k s LYS 14 Ca 0.13 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 2k4k s LYS 14 Cb -0.02 -1.39 -0.05 0.00 -0.52 0.00 0.00 37.83 35.84 2k4k s LYS 14 CO 0.10 0.24 1.33 0.08 -0.92 0.00 0.00 175.35 176.17 2k4k s VAL 15 N 0.00 3.86 -0.26 3.17 1.01 0.18 -0.80 120.40 127.56 2k4k s VAL 15 Ca -0.02 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.25 2k4k s VAL 15 Cb -0.10 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2k4k s VAL 15 CO 0.01 0.01 0.25 0.35 0.00 0.00 0.00 175.10 175.72 2k4k n THR 16 N 4.54 0.00 -3.65 3.92 -2.24 0.26 -0.98 114.28 116.13 2k4k n THR 16 Ca 0.12 -0.41 -0.01 0.00 -2.27 0.00 0.00 64.05 61.48 2k4k n THR 16 Cb 0.44 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.68 2k4k n THR 16 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k4k s GLY 17 N -1.29 -0.35 0.04 3.38 0.00 -1.20 -4.94 107.32 102.96 2k4k s GLY 17 Ca 0.02 0.66 0.04 0.00 0.00 0.00 0.00 44.72 45.44 2k4k s GLY 17 CO 0.17 0.15 -0.11 1.08 0.00 0.00 0.00 173.10 174.38 2k4k s LEU 18 N -2.84 2.19 0.07 0.66 1.43 -1.26 -1.07 118.68 117.87 2k4k s LEU 18 Ca 0.12 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2k4k s LEU 18 Cb 0.02 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 2k4k s LEU 18 CO -0.03 -0.05 0.08 -1.10 0.23 0.00 0.00 176.35 175.49 2k4k s GLN 19 N -1.23 0.75 0.00 1.70 -1.52 0.41 -4.98 119.66 114.78 2k4k s GLN 19 Ca -0.02 -1.12 0.04 0.00 -1.95 0.00 0.00 55.36 52.31 2k4k s GLN 19 Cb -0.08 0.27 0.23 0.00 -0.22 0.00 0.00 33.01 33.22 2k4k s GLN 19 CO 0.01 -0.20 0.92 0.00 -0.25 0.00 0.00 175.29 175.78 2k4k n ALA 20 N 0.01 1.46 -0.33 6.09 0.00 -1.26 -2.07 120.51 124.42 2k4k n ALA 20 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2k4k n ALA 20 Cb 0.62 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2k4k n ALA 20 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2k4k n TYR 21 N -1.22 0.00 0.00 0.00 9.36 -1.26 -4.93 117.16 119.11 2k4k n TYR 21 Ca 0.02 -0.15 0.00 0.00 3.32 0.00 0.00 57.90 61.10 2k4k n TYR 21 Cb 0.03 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 2k4k n TYR 21 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k4k n GLY 22 N -0.15 -0.98 3.04 2.98 0.00 -0.88 -0.90 105.19 108.31 2k4k n GLY 22 Ca 0.00 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 2k4k n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4k s ALA 23 N -2.00 1.95 0.29 4.61 0.00 0.36 -0.45 121.76 126.52 2k4k s ALA 23 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 2k4k s ALA 23 Cb 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 23.12 21.95 2k4k s ALA 23 CO 0.00 -0.38 1.12 -0.06 0.00 0.00 0.00 175.76 176.44 2k4k s PHE 24 N 1.45 3.51 -0.16 0.00 0.08 -0.23 -0.75 117.98 121.89 2k4k s PHE 24 Ca 0.05 1.67 -0.03 0.00 0.12 0.00 0.00 56.93 58.74 2k4k s PHE 24 Cb -0.13 -3.31 0.05 0.00 -0.57 0.00 0.00 43.02 39.06 2k4k s PHE 24 CO -0.11 -0.67 0.04 0.08 -0.10 0.00 0.00 175.22 174.45 2k4k s VAL 25 N -1.18 0.37 0.37 -0.44 1.01 -0.10 -0.58 120.40 119.85 2k4k s VAL 25 Ca 0.45 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 61.87 2k4k s VAL 25 Cb -0.32 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 2k4k s VAL 25 CO 0.42 -0.10 1.17 0.00 0.00 0.00 0.00 175.10 176.58 2k4k s ALA 26 N 1.94 3.23 0.00 5.51 0.00 0.02 -1.15 121.76 131.31 2k4k s ALA 26 Ca 0.01 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2k4k s ALA 26 Cb -0.16 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2k4k s ALA 26 CO -0.07 -0.46 0.00 1.28 0.00 0.00 0.00 175.76 176.51 2k4k n LEU 27 N 0.33 0.00 -3.93 0.00 4.77 0.05 -1.15 117.00 117.08 2k4k n LEU 27 Ca 0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 2k4k n LEU 27 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2k4k n LEU 27 CO 0.52 0.00 0.18 -0.62 -1.33 0.00 0.00 177.39 176.13 2k4k s ASP 28 N -2.64 -0.11 0.33 -1.43 2.15 -0.80 -4.84 116.67 109.33 2k4k s ASP 28 Ca 0.00 -0.81 0.20 0.00 0.43 0.00 0.00 52.55 52.38 2k4k s ASP 28 Cb 0.00 0.56 1.11 0.00 -0.30 0.00 0.00 42.92 44.29 2k4k s ASP 28 CO 0.00 -1.09 1.60 -0.62 -0.17 0.00 0.00 175.17 174.90 2k4k n GLU 29 N -0.35 0.13 0.00 4.34 1.02 -1.26 -2.22 120.64 122.30 2k4k n GLU 29 Ca -0.05 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 2k4k n GLU 29 Cb 0.62 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2k4k n GLU 29 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k4k n GLU 30 N -2.23 1.00 -3.83 3.49 -0.58 -1.26 -5.08 120.64 112.15 2k4k n GLU 30 Ca -0.01 -0.83 -0.12 0.00 -0.42 0.00 0.00 57.16 55.77 2k4k n GLU 30 Cb 0.09 -0.67 -0.12 0.00 -0.57 0.00 0.00 31.44 30.17 2k4k n GLU 30 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2k4k s THR 31 N -0.34 0.02 0.06 2.62 2.01 -0.94 -5.10 115.64 113.96 2k4k s THR 31 Ca 0.00 -0.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.71 2k4k s THR 31 Cb 0.00 -0.28 0.02 0.00 0.01 0.00 0.00 72.50 72.25 2k4k s THR 31 CO 0.00 -0.08 0.31 -1.58 -0.69 0.00 0.00 174.62 172.58 2k4k s GLN 32 N -0.23 0.85 0.28 4.92 0.74 -1.26 -0.77 119.66 124.20 2k4k s GLN 32 Ca -0.03 -0.58 0.06 0.00 0.05 0.00 0.00 55.36 54.86 2k4k s GLN 32 Cb -0.03 0.37 -0.02 0.00 1.10 0.00 0.00 33.01 34.43 2k4k s GLN 32 CO 0.01 -0.28 0.21 0.41 -0.55 0.00 0.00 175.29 175.08 2k4k n GLY 33 N 0.40 3.16 2.79 2.59 0.00 -0.30 -4.20 105.19 109.61 2k4k n GLY 33 Ca -0.18 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 2k4k n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k4k s LEU 34 N 0.00 1.93 -0.13 0.99 2.96 -0.19 -0.92 118.68 123.31 2k4k s LEU 34 Ca 0.30 -1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 52.71 2k4k s LEU 34 Cb 0.01 -0.84 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 2k4k s LEU 34 CO 0.21 -0.33 1.79 -0.69 -1.32 0.00 0.00 176.35 176.01 2k4k s VAL 35 N 1.65 3.43 0.48 1.68 1.01 0.08 -1.58 120.40 127.15 2k4k s VAL 35 Ca 0.02 0.49 -0.21 0.00 0.00 0.00 0.00 61.98 62.29 2k4k s VAL 35 Cb -0.18 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 2k4k s VAL 35 CO -0.14 -0.14 1.05 -1.00 0.00 0.00 0.00 175.10 174.88 2k4k s HIS 36 N 5.26 3.00 0.34 5.22 0.09 -1.23 -0.49 115.29 127.48 2k4k s HIS 36 Ca 0.80 1.58 0.05 0.00 -0.00 0.00 0.00 55.06 57.49 2k4k s HIS 36 Cb -0.32 -3.11 0.69 0.00 -0.00 0.00 0.00 32.58 29.85 2k4k s HIS 36 CO 0.33 -0.90 1.91 0.97 -0.00 0.00 0.00 174.74 177.04 2k4k h ILE 37 N 1.63 0.96 0.00 0.60 2.10 -1.36 0.86 117.51 122.30 2k4k h ILE 37 Ca -0.49 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.16 2k4k h ILE 37 Cb 1.22 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 37.02 2k4k h ILE 37 CO 0.59 0.15 0.00 -1.20 -1.08 0.00 0.00 178.15 176.61 2k4k n SER 38 N -4.52 0.00 0.00 2.19 7.64 -1.26 -2.40 113.62 115.27 2k4k n SER 38 Ca 0.14 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2k4k n SER 38 Cb 0.31 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2k4k n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k4k n GLU 39 N -1.18 -0.75 0.01 1.43 -0.58 0.27 -4.66 120.64 115.18 2k4k n GLU 39 Ca 0.07 -0.44 -0.08 0.00 -0.42 0.00 0.00 57.16 56.29 2k4k n GLU 39 Cb 0.08 -0.94 0.09 0.00 -0.57 0.00 0.00 31.44 30.10 2k4k n GLU 39 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2k4k h VAL 40 N 0.09 1.32 -3.42 2.62 2.07 -1.20 0.89 116.25 118.62 2k4k h VAL 40 Ca 0.00 -1.70 -0.09 0.00 0.82 0.00 0.00 66.70 65.73 2k4k h VAL 40 Cb 0.05 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2k4k h VAL 40 CO 0.00 0.53 0.08 0.28 0.02 0.00 0.00 177.57 178.48 2k4k s THR 41 N -4.09 0.00 -2.00 2.57 -1.32 -1.26 -3.07 115.64 106.47 2k4k s THR 41 Ca -0.07 -1.23 0.01 0.00 -1.21 0.00 0.00 61.69 59.19 2k4k s THR 41 Cb 0.12 -2.64 0.03 0.00 -1.51 0.00 0.00 72.50 68.50 2k4k s THR 41 CO 0.83 0.00 0.39 0.00 -2.21 0.00 0.00 174.62 173.63 2k4k n HIS 42 N -0.52 0.00 -3.67 9.09 1.44 -1.26 -4.73 115.22 115.58 2k4k n HIS 42 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 2k4k n HIS 42 Cb 0.61 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.72 2k4k n HIS 42 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k4k n GLY 43 N -0.73 0.79 3.77 -1.39 0.00 -1.26 -5.14 105.19 101.23 2k4k n GLY 43 Ca 0.01 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 2k4k n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k4k s PHE 44 N -3.36 2.95 -1.17 1.61 5.36 -1.26 -4.89 117.98 117.20 2k4k s PHE 44 Ca 0.00 1.44 0.29 0.00 -0.96 0.00 0.00 56.93 57.70 2k4k s PHE 44 Cb 0.00 -3.62 1.26 0.00 -0.34 0.00 0.00 43.02 40.32 2k4k s PHE 44 CO 0.00 -1.85 1.92 1.33 -1.46 0.00 0.00 175.22 175.15 2k4k n VAL 45 N 0.34 0.00 0.00 3.12 0.24 -1.26 -4.93 118.33 115.83 2k4k n VAL 45 Ca 0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2k4k n VAL 45 Cb 0.44 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 2k4k n VAL 45 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2k4k n LYS 46 N -1.39 0.00 -3.63 7.34 4.76 -1.26 -4.57 118.16 119.40 2k4k n LYS 46 Ca 0.10 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 2k4k n LYS 46 Cb 0.31 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.43 2k4k n LYS 46 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2k4k s ASP 47 N 0.00 -0.76 0.42 4.39 -1.08 -1.26 -5.07 116.67 113.30 2k4k s ASP 47 Ca 0.00 1.44 0.12 0.00 -0.52 0.00 0.00 52.55 53.58 2k4k s ASP 47 Cb 0.00 1.44 0.96 0.00 -1.46 0.00 0.00 42.92 43.86 2k4k s ASP 47 CO 0.00 -0.24 1.99 -0.29 0.52 0.00 0.00 175.17 177.14 2k4k h ILE 48 N 4.11 0.94 0.00 4.11 2.10 -1.91 -0.52 117.51 126.35 2k4k h ILE 48 Ca -0.29 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.49 2k4k h ILE 48 Cb 1.17 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 2k4k h ILE 48 CO 0.07 0.09 0.00 -0.46 -1.08 0.00 0.00 178.15 176.76 2k4k n ASN 49 N -4.47 0.61 -0.03 2.19 0.23 -1.26 -1.60 115.26 110.92 2k4k n ASN 49 Ca 0.09 0.68 0.14 0.00 -0.53 0.00 0.00 54.58 54.96 2k4k n ASN 49 Cb 0.30 -0.80 0.52 0.00 -2.08 0.00 0.00 39.78 37.72 2k4k n ASN 49 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2k4k n GLU 50 N -2.21 0.20 0.00 -3.83 -0.58 -0.20 -4.22 120.64 109.80 2k4k n GLU 50 Ca 0.01 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2k4k n GLU 50 Cb 0.17 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2k4k n GLU 50 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2k4k n HIS 51 N -1.34 0.00 -4.13 -0.32 -0.00 -0.85 -4.70 115.22 103.88 2k4k n HIS 51 Ca 0.09 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.12 2k4k n HIS 51 Cb 0.32 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.13 2k4k n HIS 51 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2k4k s LEU 52 N -0.27 1.09 -0.01 0.27 2.96 -0.62 -3.70 118.68 118.40 2k4k s LEU 52 Ca 0.00 -1.46 0.00 0.00 -0.22 0.00 0.00 54.13 52.45 2k4k s LEU 52 Cb 0.00 1.20 0.01 0.00 0.50 0.00 0.00 46.19 47.90 2k4k s LEU 52 CO 0.00 -1.18 -0.00 -0.44 -1.32 0.00 0.00 176.35 173.41 2k4k s SER 53 N -3.23 0.19 0.47 3.68 0.01 -1.26 -4.46 113.70 109.09 2k4k s SER 53 Ca 0.33 -0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.37 2k4k s SER 53 Cb 0.01 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.08 2k4k s SER 53 CO 0.19 -0.03 0.99 0.54 0.41 0.00 0.00 173.24 175.34 2k4k s VAL 54 N 0.38 4.16 -1.14 3.43 0.11 -1.26 -3.98 120.40 122.10 2k4k s VAL 54 Ca -0.03 1.29 -0.02 0.00 -2.93 0.00 0.00 61.98 60.29 2k4k s VAL 54 Cb -0.05 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 2k4k s VAL 54 CO -0.01 -0.34 0.28 0.61 -3.33 0.00 0.00 175.10 172.31 2k4k n GLY 55 N -0.61 -0.18 3.39 6.54 0.00 -0.15 -4.99 105.19 109.19 2k4k n GLY 55 Ca 0.08 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 2k4k n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4k s ASP 56 N -2.64 2.58 -0.14 1.61 2.15 -1.26 -4.93 116.67 114.04 2k4k s ASP 56 Ca 0.14 -1.14 -0.06 0.00 0.43 0.00 0.00 52.55 51.92 2k4k s ASP 56 Cb -0.06 -0.13 -0.04 0.00 -0.30 0.00 0.00 42.92 42.39 2k4k s ASP 56 CO 0.17 -0.31 0.07 -0.70 -0.17 0.00 0.00 175.17 174.23 2k4k s GLU 57 N -3.72 3.54 -0.02 4.34 2.12 -1.26 -0.65 118.70 123.05 2k4k s GLU 57 Ca 0.27 -0.29 -0.07 0.00 0.36 0.00 0.00 54.97 55.24 2k4k s GLU 57 Cb 0.03 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.33 2k4k s GLU 57 CO 0.10 0.55 0.16 0.14 -0.54 0.00 0.00 175.26 175.67 2k4k s VAL 58 N -0.42 0.06 -0.04 3.70 -7.23 -0.13 -4.99 120.40 111.35 2k4k s VAL 58 Ca 0.10 -0.48 -0.17 0.00 -1.81 0.00 0.00 61.98 59.62 2k4k s VAL 58 Cb -0.12 -0.39 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 2k4k s VAL 58 CO 0.02 -0.26 0.47 -1.10 -0.31 0.00 0.00 175.10 173.91 2k4k s GLN 59 N -0.96 4.15 0.03 4.82 -0.21 -1.26 -1.04 119.66 125.19 2k4k s GLN 59 Ca -0.10 0.49 0.05 0.00 0.02 0.00 0.00 55.36 55.81 2k4k s GLN 59 Cb -0.06 -3.32 -0.02 0.00 1.00 0.00 0.00 33.01 30.62 2k4k s GLN 59 CO 0.01 0.46 -0.14 0.14 -2.12 0.00 0.00 175.29 173.64 2k4k s VAL 60 N -0.36 1.13 -0.13 1.09 -7.23 0.07 -4.76 120.40 110.21 2k4k s VAL 60 Ca 0.26 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 59.36 2k4k s VAL 60 Cb -0.17 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.71 2k4k s VAL 60 CO 0.13 0.06 0.27 -0.75 -0.31 0.00 0.00 175.10 174.50 2k4k s LYS 61 N -1.01 4.06 -0.12 4.82 2.20 -0.67 -1.63 119.74 127.37 2k4k s LYS 61 Ca 0.02 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.41 2k4k s LYS 61 Cb -0.07 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 2k4k s LYS 61 CO 0.01 0.41 1.69 0.08 -0.36 0.00 0.00 175.35 177.18 2k4k s VAL 62 N -0.04 3.57 -0.18 4.02 1.01 0.28 -1.20 120.40 127.85 2k4k s VAL 62 Ca 0.16 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2k4k s VAL 62 Cb -0.13 -3.50 -0.22 0.00 0.00 0.00 0.00 36.38 32.53 2k4k s VAL 62 CO 0.05 -0.14 0.10 -0.11 0.00 0.00 0.00 175.10 175.00 2k4k n LEU 63 N 7.89 2.45 -3.60 3.92 7.94 0.14 -1.03 117.00 134.72 2k4k n LEU 63 Ca 0.19 0.05 -0.11 0.00 -1.11 0.00 0.00 56.01 55.03 2k4k n LEU 63 Cb 0.44 -0.81 -0.04 0.00 0.53 0.00 0.00 43.42 43.54 2k4k n LEU 63 CO 0.64 0.83 0.20 0.00 -1.11 0.00 0.00 177.39 177.95 2k4k s ALA 64 N -2.54 -1.06 -0.09 1.96 0.00 -0.95 -4.77 121.76 114.32 2k4k s ALA 64 Ca -0.26 0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.70 2k4k s ALA 64 Cb 0.08 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.91 2k4k s ALA 64 CO 0.70 -0.65 0.25 0.54 0.00 0.00 0.00 175.76 176.61 2k4k s VAL 65 N -3.67 0.01 -0.21 0.00 0.11 -1.26 -0.92 120.40 114.45 2k4k s VAL 65 Ca 0.02 -0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 58.97 2k4k s VAL 65 Cb 0.01 -0.38 0.10 0.00 -1.53 0.00 0.00 36.38 34.59 2k4k s VAL 65 CO -0.11 -0.03 0.26 -0.62 -3.33 0.00 0.00 175.10 171.26 2k4k s ASP 66 N -0.01 1.13 0.42 3.54 -1.08 -0.36 -4.89 116.67 115.43 2k4k s ASP 66 Ca -0.01 -0.13 0.23 0.00 -0.52 0.00 0.00 52.55 52.11 2k4k s ASP 66 Cb -0.02 0.55 0.52 0.00 -1.46 0.00 0.00 42.92 42.51 2k4k s ASP 66 CO 0.01 -0.32 1.66 -0.08 0.52 0.00 0.00 175.17 176.96 2k4k h GLU 67 N 8.28 0.00 -0.09 4.34 4.81 -1.80 0.40 114.58 130.52 2k4k h GLU 67 Ca -0.18 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.92 2k4k h GLU 67 Cb 1.15 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.54 2k4k h GLU 67 CO 0.28 0.14 -0.45 0.93 -0.73 0.00 0.00 179.01 179.18 2k4k h GLU 68 N 0.00 0.47 0.00 1.92 5.08 -1.96 -2.73 114.58 117.36 2k4k h GLU 68 Ca -0.00 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 2k4k h GLU 68 Cb 0.97 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2k4k h GLU 68 CO 0.02 1.01 -0.31 0.87 -1.00 0.00 0.00 179.01 179.60 2k4k h LYS 69 N 0.04 0.00 -4.92 2.33 1.57 -2.00 -3.47 116.57 110.12 2k4k h LYS 69 Ca -0.03 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.49 2k4k h LYS 69 Cb 1.09 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.54 2k4k h LYS 69 CO 0.09 0.31 -0.62 0.41 -0.57 0.00 0.00 179.45 179.07 2k4k n GLY 70 N -0.24 -0.23 3.11 3.86 0.00 -0.04 -5.04 105.19 106.61 2k4k n GLY 70 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2k4k n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4k s LYS 71 N -5.03 0.67 -0.02 1.61 -0.14 -0.22 -5.01 119.74 111.60 2k4k s LYS 71 Ca 0.02 -1.20 0.00 0.00 -1.36 0.00 0.00 55.97 53.44 2k4k s LYS 71 Cb -0.00 0.03 0.02 0.00 -1.68 0.00 0.00 37.83 36.19 2k4k s LYS 71 CO 0.58 -0.06 0.00 0.42 -0.76 0.00 0.00 175.35 175.53 2k4k s ILE 72 N -3.51 0.10 0.03 2.17 1.01 -1.26 -1.22 121.20 118.52 2k4k s ILE 72 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2k4k s ILE 72 Cb 0.05 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.31 2k4k s ILE 72 CO -0.07 0.09 0.13 -0.44 0.00 0.00 0.00 174.94 174.66 2k4k s SER 73 N 0.65 5.96 0.22 3.58 0.01 -0.10 -1.02 113.70 123.00 2k4k s SER 73 Ca -0.06 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.40 2k4k s SER 73 Cb -0.09 -1.76 -0.05 0.00 0.21 0.00 0.00 66.02 64.34 2k4k s SER 73 CO -0.01 0.22 0.05 -0.76 0.41 0.00 0.00 173.24 173.14 2k4k s LEU 74 N -2.14 1.87 0.03 2.44 1.43 -0.61 -0.69 118.68 121.01 2k4k s LEU 74 Ca 0.28 -1.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.12 2k4k s LEU 74 Cb -0.12 -0.02 -0.02 0.00 0.03 0.00 0.00 46.19 46.05 2k4k s LEU 74 CO 0.21 -0.65 -0.07 -0.44 0.23 0.00 0.00 176.35 175.63 2k4k s SER 75 N -3.25 0.73 -0.03 2.29 0.01 -0.34 -3.48 113.70 109.63 2k4k s SER 75 Ca 0.31 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 57.16 2k4k s SER 75 Cb 0.07 0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.25 2k4k s SER 75 CO 0.09 -0.17 0.07 -0.38 0.41 0.00 0.00 173.24 173.27 2k4k n ILE 76 N 1.75 0.16 0.17 1.44 2.08 0.05 -1.68 119.36 123.32 2k4k n ILE 76 Ca -0.21 -0.17 0.17 0.00 0.56 0.00 0.00 62.75 63.10 2k4k n ILE 76 Cb 0.55 -0.18 0.78 0.00 -0.75 0.00 0.00 39.64 40.04 2k4k n ILE 76 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2k4k h ARG 77 N 0.00 0.00 -0.03 0.38 0.11 -0.85 0.13 114.38 114.11 2k4k h ARG 77 Ca -0.06 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.89 2k4k h ARG 77 Cb 0.73 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.80 2k4k h ARG 77 CO 0.00 0.00 -0.56 0.00 0.10 0.00 0.00 179.97 179.51 2k4k h ALA 78 N 1.78 1.00 0.00 0.08 0.00 -1.82 -2.61 119.26 117.69 2k4k h ALA 78 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k4k h ALA 78 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k4k h ALA 78 CO -0.00 0.70 -1.55 0.25 0.00 0.00 0.00 179.25 178.65 2k4k n THR 79 N -3.88 0.00 -2.00 0.00 -2.24 -0.06 -4.05 114.28 102.06 2k4k n THR 79 Ca -0.02 -0.31 -0.27 0.00 -2.27 0.00 0.00 64.05 61.19 2k4k n THR 79 Cb 0.58 0.38 0.03 0.00 -2.10 0.00 0.00 70.33 69.22 2k4k n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4k n GLN 80 N -1.93 3.41 -0.08 -0.78 6.02 0.24 -4.81 117.38 119.45 2k4k n GLN 80 Ca -0.01 -4.07 -0.10 0.00 -0.01 0.00 0.00 57.00 52.81 2k4k n GLN 80 Cb 0.44 -2.28 -0.03 0.00 1.02 0.00 0.00 30.24 29.40 2k4k n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k4k h ALA 81 N 2.26 0.34 -2.84 -1.58 0.00 -1.60 -3.41 119.26 112.43 2k4k h ALA 81 Ca 0.40 -0.09 -0.52 0.00 0.00 0.00 0.00 54.91 54.71 2k4k h ALA 81 Cb 1.25 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 18.99 2k4k h ALA 81 CO 0.93 -0.10 0.58 0.00 0.00 0.00 0.00 179.25 180.66 2k4k s ALA 82 N -5.73 3.43 -0.47 0.00 0.00 -1.26 -4.90 121.76 112.83 2k4k s ALA 82 Ca -0.13 1.12 -0.36 0.00 0.00 0.00 0.00 51.96 52.59 2k4k s ALA 82 Cb 0.08 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 2k4k s ALA 82 CO 0.72 -0.49 2.26 -2.30 0.00 0.00 0.00 175.76 175.94 2k4k n PRO 83 N 0.83 0.72 -3.73 0.00 -0.02 -1.26 -4.92 135.00 126.61 2k4k n PRO 83 Ca 0.00 0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 2k4k n PRO 83 Cb 0.43 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 2k4k n PRO 83 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2k4k s GLU 84 N 6.67 0.86 0.31 -0.52 0.41 -1.26 -5.16 118.70 120.01 2k4k s GLU 84 Ca 1.14 -0.53 0.04 0.00 -0.41 0.00 0.00 54.97 55.20 2k4k s GLU 84 Cb -0.99 0.38 -0.03 0.00 -1.78 0.00 0.00 34.13 31.71 2k4k s GLU 84 CO 0.51 -0.29 0.29 0.15 -0.49 0.00 0.00 175.26 175.43 2k4k s LYS 85 N -2.78 1.68 1.14 1.61 1.02 -1.26 -5.00 119.74 116.16 2k4k s LYS 85 Ca -0.03 -1.88 -0.16 0.00 0.02 0.00 0.00 55.97 53.91 2k4k s LYS 85 Cb -0.00 0.34 0.18 0.00 -0.52 0.00 0.00 37.83 37.83 2k4k s LYS 85 CO -0.05 -0.63 0.42 0.36 -0.92 0.00 0.00 175.35 174.54 2k4k n LYS 86 N -0.54 -1.95 -4.36 1.68 2.85 -1.24 -5.05 118.16 109.54 2k4k n LYS 86 Ca 0.05 -0.54 -0.18 0.00 -1.05 0.00 0.00 58.31 56.58 2k4k n LYS 86 Cb 0.63 -1.89 -0.10 0.00 -0.65 0.00 0.00 35.03 33.01 2k4k n LYS 86 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2k4k s GLU 87 N -3.83 1.43 0.00 -1.58 2.02 -1.26 -5.05 118.70 110.43 2k4k s GLU 87 Ca 0.61 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.85 2k4k s GLU 87 Cb -0.18 -0.68 0.00 0.00 0.10 0.00 0.00 34.13 33.37 2k4k s GLU 87 CO 0.66 -0.12 0.00 0.43 0.02 0.00 0.00 175.26 176.24 2k4k n SER 88 N -0.50 0.00 0.19 -0.19 7.64 -1.26 -4.92 113.62 114.59 2k4k n SER 88 Ca -0.04 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.87 2k4k n SER 88 Cb 0.65 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 64.23 2k4k n SER 88 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2k4k h LYS 89 N 0.00 0.00 -7.06 1.43 2.10 -2.06 -3.46 116.57 107.52 2k4k h LYS 89 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 2k4k h LYS 89 Cb 0.00 0.00 0.20 0.00 -0.90 0.00 0.00 32.23 31.53 2k4k h LYS 89 CO 0.00 0.34 -0.07 -2.30 -2.00 0.00 0.00 179.45 175.43 2k4k n PRO 90 N -4.06 -0.25 -1.68 0.07 -0.02 -1.26 -4.91 135.00 122.89 2k4k n PRO 90 Ca -0.02 -0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 2k4k n PRO 90 Cb 0.39 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 2k4k n PRO 90 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2k4k s ARG 91 N -4.10 4.05 -0.01 -0.52 3.52 -1.26 -4.93 118.95 115.71 2k4k s ARG 91 Ca 0.64 2.54 -0.24 0.00 -0.13 0.00 0.00 55.73 58.55 2k4k s ARG 91 Cb -0.24 -4.18 -0.16 0.00 -1.56 0.00 0.00 34.95 28.82 2k4k s ARG 91 CO 0.60 -1.06 1.10 -0.22 -0.81 0.00 0.00 175.30 174.91 2k4k h LYS 92 N 10.98 -0.42 -7.22 5.12 3.64 -1.91 -3.44 116.57 123.32 2k4k h LYS 92 Ca -0.48 0.03 -0.52 0.00 -1.27 0.00 0.00 60.65 58.41 2k4k h LYS 92 Cb 1.24 0.09 0.12 0.00 -0.41 0.00 0.00 32.23 33.27 2k4k h LYS 92 CO 0.94 -0.09 0.36 -1.25 -2.27 0.00 0.00 179.45 177.14 2k4k s PRO 93 N -4.29 2.45 0.00 1.90 0.04 -1.26 -4.98 135.00 128.86 2k4k s PRO 93 Ca -0.13 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2k4k s PRO 93 Cb 0.02 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2k4k s PRO 93 CO 0.49 -1.53 0.29 1.63 0.04 0.00 0.00 177.00 177.92 2k4k n LYS 94 N -2.81 -0.18 -1.02 4.56 5.02 -1.26 -5.08 118.16 117.39 2k4k n LYS 94 Ca 0.11 -0.32 -0.31 0.00 -2.02 0.00 0.00 58.31 55.77 2k4k n LYS 94 Cb 0.52 -0.71 0.13 0.00 -0.02 0.00 0.00 35.03 34.95 2k4k n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k4k s ALA 95 N -0.06 1.76 0.24 7.82 0.00 -1.26 -4.95 121.76 125.30 2k4k s ALA 95 Ca 0.00 0.33 0.27 0.00 0.00 0.00 0.00 51.96 52.55 2k4k s ALA 95 Cb 0.00 -3.33 1.18 0.00 0.00 0.00 0.00 23.12 20.97 2k4k s ALA 95 CO 0.00 -2.30 1.94 0.00 0.00 0.00 0.00 175.76 175.40 2k4k h ALA 96 N -1.52 1.10 -2.76 0.00 0.00 -2.07 -3.43 119.26 110.58 2k4k h ALA 96 Ca -0.45 -0.15 -0.56 0.00 0.00 0.00 0.00 54.91 53.75 2k4k h ALA 96 Cb 1.26 -0.03 0.12 0.00 0.00 0.00 0.00 17.79 19.14 2k4k h ALA 96 CO 0.48 0.20 0.52 0.94 0.00 0.00 0.00 179.25 181.40 2k4k n GLN 97 N -3.43 1.96 -4.05 0.00 0.00 -1.26 -5.04 117.38 105.56 2k4k n GLN 97 Ca -0.01 0.70 -0.13 0.00 -0.00 0.00 0.00 57.00 57.57 2k4k n GLN 97 Cb 0.35 -2.42 -0.12 0.00 0.00 0.00 0.00 30.24 28.04 2k4k n GLN 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2k4k s VAL 98 N -1.20 0.38 0.21 1.69 -7.23 -1.26 -4.95 120.40 108.03 2k4k s VAL 98 Ca 0.61 -0.79 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2k4k s VAL 98 Cb -0.49 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 2k4k s VAL 98 CO 0.57 -0.28 0.08 -1.20 -0.31 0.00 0.00 175.10 173.96 2k4k n SER 99 N 1.90 1.02 -0.34 4.85 7.64 -1.26 -5.05 113.62 122.38 2k4k n SER 99 Ca -0.20 -2.15 0.05 0.00 1.01 0.00 0.00 58.87 57.58 2k4k n SER 99 Cb 0.56 0.56 0.21 0.00 -1.01 0.00 0.00 64.21 64.53 2k4k n SER 99 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2k4k h GLU 100 N 0.00 0.94 -4.85 1.43 9.09 -2.05 -3.46 114.58 115.68 2k4k h GLU 100 Ca -0.17 -0.06 -0.33 0.00 0.05 0.00 0.00 59.36 58.86 2k4k h GLU 100 Cb 0.64 -0.21 -0.04 0.00 -1.65 0.00 0.00 28.75 27.49 2k4k h GLU 100 CO 0.26 0.62 -0.48 0.39 0.05 0.00 0.00 179.01 179.85 2k4k n GLU 101 N -4.64 -3.18 -0.20 1.06 1.02 -1.26 -4.77 120.64 108.67 2k4k n GLU 101 Ca 0.17 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2k4k n GLU 101 Cb 0.31 -5.23 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 2k4k n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k4k n ALA 102 N -3.11 1.39 -0.82 0.62 0.00 -1.26 -5.12 120.51 112.22 2k4k n ALA 102 Ca -0.06 -0.62 -0.32 0.00 0.00 0.00 0.00 53.44 52.43 2k4k n ALA 102 Cb 0.57 -0.18 0.15 0.00 0.00 0.00 0.00 19.45 20.00 2k4k n ALA 102 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k4k n SER 103 N 0.00 0.53 -4.67 0.00 7.64 -1.26 -5.02 113.62 110.83 2k4k n SER 103 Ca 0.00 0.47 -0.31 0.00 1.01 0.00 0.00 58.87 60.05 2k4k n SER 103 Cb 0.57 -1.48 0.17 0.00 -1.01 0.00 0.00 64.21 62.45 2k4k n SER 103 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k4k s THR 104 N -2.46 2.12 0.49 0.44 -4.23 -1.26 -4.98 115.64 105.76 2k4k s THR 104 Ca 0.69 0.04 -0.21 0.00 -1.18 0.00 0.00 61.69 61.03 2k4k s THR 104 Cb -0.25 -2.09 -0.09 0.00 1.34 0.00 0.00 72.50 71.41 2k4k s THR 104 CO 0.56 -0.05 0.87 -2.65 -0.54 0.00 0.00 174.62 172.80 2k4k n PRO 105 N -4.24 1.01 -3.90 3.99 -0.02 -1.26 -5.04 135.00 125.54 2k4k n PRO 105 Ca 0.11 0.37 -0.09 0.00 -2.02 0.00 0.00 63.50 61.87 2k4k n PRO 105 Cb 0.52 -1.96 -0.09 0.00 -0.02 0.00 0.00 33.50 31.95 2k4k n PRO 105 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2k4k s GLN 106 N -2.18 0.69 0.00 -0.52 -1.52 -1.26 -4.30 119.66 110.57 2k4k s GLN 106 Ca 0.67 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 53.28 2k4k s GLN 106 Cb -0.50 0.27 0.00 0.00 -0.22 0.00 0.00 33.01 32.56 2k4k s GLN 106 CO 0.54 -0.19 0.00 0.41 -0.25 0.00 0.00 175.29 175.80 2k4k n GLY 107 N 0.48 -1.07 0.00 3.09 0.00 -1.26 -4.46 105.19 101.96 2k4k n GLY 107 Ca -0.17 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.07 2k4k n GLY 107 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2k4k n PHE 108 N 1.56 0.00 -4.04 1.61 1.16 -1.26 -4.72 117.46 111.76 2k4k n PHE 108 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.49 2k4k n PHE 108 Cb 0.00 -0.27 -0.11 0.00 -1.61 0.00 0.00 39.48 37.50 2k4k n PHE 108 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2k4k s ASN 109 N -2.54 0.46 -0.13 5.98 2.47 -1.26 -5.08 114.94 114.84 2k4k s ASN 109 Ca 0.10 -0.71 -0.37 0.00 0.42 0.00 0.00 52.86 52.30 2k4k s ASN 109 Cb 0.07 0.13 -0.15 0.00 -1.45 0.00 0.00 41.25 39.85 2k4k s ASN 109 CO 0.15 -0.40 1.70 0.41 -3.72 0.00 0.00 177.10 175.24 2k4k n THR 110 N 0.97 0.31 -3.83 -5.21 -1.04 -1.26 -0.98 114.28 103.24 2k4k n THR 110 Ca -0.20 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.46 2k4k n THR 110 Cb 0.57 -1.36 -0.03 0.00 -1.82 0.00 0.00 70.33 67.69 2k4k n THR 110 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k4k n LEU 111 N 5.09 -1.27 0.00 -4.42 4.77 -1.26 -4.12 117.00 115.80 2k4k n LEU 111 Ca 0.23 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2k4k n LEU 111 Cb 0.20 -1.87 0.00 0.00 -2.33 0.00 0.00 43.42 39.42 2k4k n LEU 111 CO 0.74 0.17 0.00 1.17 -1.33 0.00 0.00 177.39 178.14 2k4k n LYS 112 N -3.89 0.00 0.00 3.23 4.81 -0.15 -1.62 118.16 120.54 2k4k n LYS 112 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2k4k n LYS 112 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 2k4k n LYS 112 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2k4k n ASP 113 N 0.37 0.00 -4.73 3.14 2.03 -1.26 -4.59 116.55 111.51 2k4k n ASP 113 Ca 0.00 -1.00 -0.41 0.00 0.52 0.00 0.00 54.79 53.90 2k4k n ASP 113 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k4k n ASP 113 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k4k n LYS 114 N 0.00 2.30 -3.95 -0.67 3.00 -0.64 -5.02 118.16 113.18 2k4k n LYS 114 Ca 0.00 0.81 -0.09 0.00 -0.00 0.00 0.00 58.31 59.03 2k4k n LYS 114 Cb 0.30 -2.50 -0.08 0.00 0.00 0.00 0.00 35.03 32.76 2k4k n LYS 114 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2k4k s LEU 115 N -1.72 1.35 0.19 3.14 2.96 -1.26 -4.91 118.68 118.42 2k4k s LEU 115 Ca 0.56 -0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2k4k s LEU 115 Cb -0.51 0.95 -0.03 0.00 0.50 0.00 0.00 46.19 47.11 2k4k s LEU 115 CO 0.61 -0.79 0.22 -1.83 -1.32 0.00 0.00 176.35 173.24 2k4k s GLU 116 N -3.93 1.20 0.22 1.98 -1.05 -1.26 -5.19 118.70 110.67 2k4k s GLU 116 Ca 0.13 -1.41 0.00 0.00 -0.15 0.00 0.00 54.97 53.54 2k4k s GLU 116 Cb 0.05 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 2k4k s GLU 116 CO -0.05 -0.42 0.15 -1.21 0.95 0.00 0.00 175.26 174.68 2k4k s GLU 117 N -4.06 1.29 -0.10 -4.83 2.02 -1.26 -5.09 118.70 106.67 2k4k s GLU 117 Ca 0.27 -1.69 0.14 0.00 0.02 0.00 0.00 54.97 53.71 2k4k s GLU 117 Cb 0.05 0.23 0.30 0.00 0.10 0.00 0.00 34.13 34.80 2k4k s GLU 117 CO 0.06 -0.42 1.14 1.87 0.02 0.00 0.00 175.26 177.94 2k4k n TRP 118 N -0.33 0.00 0.04 1.61 -0.00 -1.26 -4.83 117.44 112.66 2k4k n TRP 118 Ca 0.02 -0.84 0.02 0.00 -0.00 0.00 0.00 57.50 56.71 2k4k n TRP 118 Cb 0.66 -0.16 0.13 0.00 -0.00 0.00 0.00 31.31 31.94 2k4k n TRP 118 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 177.69 178.13 2k4k n ILE 119 N -0.66 1.73 -0.01 5.87 -5.35 -1.26 -1.60 119.36 118.08 2k4k n ILE 119 Ca 0.12 0.56 0.19 0.00 -0.27 0.00 0.00 62.75 63.34 2k4k n ILE 119 Cb 0.77 -1.56 0.65 0.00 -1.74 0.00 0.00 39.64 37.77 2k4k n ILE 119 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 2k4k h GLU 120 N 0.00 0.07 -0.59 6.28 4.11 -1.93 -0.25 114.58 122.27 2k4k h GLU 120 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k4k h GLU 120 Cb 0.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k4k h GLU 120 CO 0.00 0.05 0.00 -1.33 0.07 0.00 0.00 179.01 177.80 2k4k n MET 121 N -4.40 1.71 -0.96 1.06 2.81 -0.63 -2.98 117.12 113.72 2k4k n MET 121 Ca 0.10 -0.70 0.02 0.00 -1.81 0.00 0.00 57.70 55.31 2k4k n MET 121 Cb 0.56 -1.45 0.02 0.00 -0.71 0.00 0.00 33.22 31.64 2k4k n MET 121 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2k4k n SER 122 N 0.09 0.60 -3.64 7.83 7.64 -0.12 -4.56 113.62 121.47 2k4k n SER 122 Ca 0.06 -2.09 -0.14 0.00 1.01 0.00 0.00 58.87 57.71 2k4k n SER 122 Cb 0.34 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 2k4k n SER 122 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2k4k s ASN 123 N -1.60 0.73 0.59 6.43 2.47 -1.13 -4.97 114.94 117.47 2k4k s ASN 123 Ca 0.18 -1.44 0.29 0.00 0.42 0.00 0.00 52.86 52.31 2k4k s ASN 123 Cb 0.20 0.55 1.46 0.00 -1.45 0.00 0.00 41.25 42.02 2k4k s ASN 123 CO -0.08 -1.10 1.88 0.03 -3.72 0.00 0.00 177.10 174.11 2k4k h ARG 124 N 2.27 0.00 -0.42 0.43 3.08 -1.92 -0.46 114.38 117.36 2k4k h ARG 124 Ca -0.29 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.80 2k4k h ARG 124 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.25 2k4k h ARG 124 CO 0.41 0.00 0.18 -0.22 -1.07 0.00 0.00 179.97 179.27 2k4k h LYS 125 N 0.00 0.35 -2.05 0.04 3.64 -1.97 -3.43 116.57 113.15 2k4k h LYS 125 Ca 0.23 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 2k4k h LYS 125 Cb 1.25 -0.08 -0.21 0.00 -0.41 0.00 0.00 32.23 32.78 2k4k h LYS 125 CO -0.00 0.23 -0.13 0.34 -2.27 0.00 0.00 179.45 177.62 2k4k s ASP 126 N -5.41 -1.04 0.15 4.20 2.15 -0.18 -5.06 116.67 111.49 2k4k s ASP 126 Ca -0.13 1.51 -0.19 0.00 0.43 0.00 0.00 52.55 54.17 2k4k s ASP 126 Cb 0.13 2.08 0.05 0.00 -0.30 0.00 0.00 42.92 44.87 2k4k s ASP 126 CO 0.72 -0.22 0.50 -1.48 -0.17 0.00 0.00 175.17 174.52 2k4k s LEU 127 N 2.68 -0.03 0.60 -1.34 2.34 -1.23 -2.72 118.68 118.98 2k4k s LEU 127 Ca -0.06 -0.23 -0.19 0.00 0.06 0.00 0.00 54.13 53.71 2k4k s LEU 127 Cb -0.11 2.19 -0.03 0.00 -0.56 0.00 0.00 46.19 47.67 2k4k s LEU 127 CO -0.19 -0.94 1.20 0.27 -1.06 0.00 0.00 176.35 175.64 2k4k s ILE 128 N -3.80 2.68 0.06 1.48 -4.36 -1.26 -5.06 121.20 110.94 2k4k s ILE 128 Ca 0.03 0.41 -0.03 0.00 -0.26 0.00 0.00 60.65 60.80 2k4k s ILE 128 Cb 0.00 -3.15 -0.03 0.00 1.25 0.00 0.00 42.46 40.54 2k4k s ILE 128 CO -0.11 -0.10 0.04 -0.54 0.24 0.00 0.00 174.94 174.47 2k4k s LYS 129 N -3.38 0.67 0.00 0.37 -0.14 -1.26 -5.14 119.74 110.86 2k4k s LYS 129 Ca 0.77 -1.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.26 2k4k s LYS 129 Cb -0.29 0.25 0.00 0.00 -1.68 0.00 0.00 37.83 36.10 2k4k s LYS 129 CO 0.33 -0.15 0.42 1.63 -0.76 0.00 0.00 175.35 176.82