#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k h ALA 2 N 0.00 1.38 -4.19 -5.12 0.00 -2.00 -3.45 119.26 105.88 2k4k h ALA 2 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 54.91 54.43 2k4k h ALA 2 Cb 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 2k4k h ALA 2 CO 0.00 0.45 -0.24 0.00 0.00 0.00 0.00 179.25 179.46 2k4k n ALA 3 N -2.47 0.08 1.23 0.00 0.00 -1.26 -4.62 120.51 113.47 2k4k n ALA 3 Ca 0.03 -1.56 0.10 0.00 0.00 0.00 0.00 53.44 52.01 2k4k n ALA 3 Cb 0.19 1.26 0.58 0.00 0.00 0.00 0.00 19.45 21.47 2k4k n ALA 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2k4k n LYS 4 N -0.53 0.61 -4.30 0.00 2.85 -1.26 -4.69 118.16 110.84 2k4k n LYS 4 Ca 0.03 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.13 2k4k n LYS 4 Cb 0.53 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 2k4k n LYS 4 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2k4k s PHE 5 N -2.00 1.46 0.05 5.58 0.40 -1.26 -4.92 117.98 117.30 2k4k s PHE 5 Ca 0.29 -0.85 -0.01 0.00 -0.60 0.00 0.00 56.93 55.77 2k4k s PHE 5 Cb 0.13 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 2k4k s PHE 5 CO 0.23 0.02 -0.03 -1.21 0.70 0.00 0.00 175.22 174.93 2k4k s GLU 6 N -3.81 0.63 0.15 0.44 0.41 -1.26 -4.67 118.70 110.58 2k4k s GLU 6 Ca 0.24 -1.22 -0.34 0.00 -0.41 0.00 0.00 54.97 53.24 2k4k s GLU 6 Cb 0.04 0.16 -0.15 0.00 -1.78 0.00 0.00 34.13 32.40 2k4k s GLU 6 CO 0.06 -0.10 1.47 0.28 -0.49 0.00 0.00 175.26 176.48 2k4k n VAL 7 N 0.13 0.13 0.00 2.63 0.31 -1.26 -1.86 118.33 118.41 2k4k n VAL 7 Ca -0.14 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2k4k n VAL 7 Cb 0.61 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2k4k n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k4k n GLY 8 N 2.96 2.40 3.71 2.92 0.00 -0.42 -5.03 105.19 111.73 2k4k n GLY 8 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.42 3.53 -0.02 1.61 0.01 -0.78 -4.80 113.70 111.83 2k4k s SER 9 Ca 0.00 2.02 0.06 0.00 1.31 0.00 0.00 55.95 59.35 2k4k s SER 9 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2k4k s SER 9 CO 0.00 -2.69 -0.22 -0.69 0.41 0.00 0.00 173.24 170.05 2k4k s VAL 10 N -2.75 1.75 0.02 3.43 1.01 -1.26 -0.68 120.40 121.91 2k4k s VAL 10 Ca 0.64 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2k4k s VAL 10 Cb -0.20 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 2k4k s VAL 10 CO 0.57 0.49 0.02 0.00 0.00 0.00 0.00 175.10 176.19 2k4k n TYR 11 N 2.64 -0.12 -4.12 5.22 9.36 -0.02 -4.97 117.16 125.15 2k4k n TYR 11 Ca -0.16 -0.18 -0.15 0.00 3.32 0.00 0.00 57.90 60.73 2k4k n TYR 11 Cb 0.52 0.02 -0.11 0.00 -0.63 0.00 0.00 39.34 39.14 2k4k n TYR 11 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2k4k s THR 12 N -2.15 0.78 0.39 2.97 2.01 -1.26 -0.84 115.64 117.53 2k4k s THR 12 Ca 0.03 -1.28 -0.12 0.00 0.31 0.00 0.00 61.69 60.63 2k4k s THR 12 Cb 0.00 -0.92 0.05 0.00 0.01 0.00 0.00 72.50 71.64 2k4k s THR 12 CO 0.02 -0.39 0.72 0.61 -0.69 0.00 0.00 174.62 174.89 2k4k n GLY 13 N 1.19 1.26 3.11 4.40 0.00 -0.45 -4.66 105.19 110.04 2k4k n GLY 13 Ca -0.21 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 2k4k n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k4k s LYS 14 N -2.27 2.78 0.06 1.61 2.36 0.22 -0.92 119.74 123.59 2k4k s LYS 14 Ca 0.19 -0.76 -0.31 0.00 -2.55 0.00 0.00 55.97 52.55 2k4k s LYS 14 Cb -0.04 -2.35 -0.08 0.00 -1.05 0.00 0.00 37.83 34.31 2k4k s LYS 14 CO 0.14 -0.12 1.60 0.08 1.55 0.00 0.00 175.35 178.60 2k4k s VAL 15 N 1.09 3.13 -0.28 4.02 1.01 0.14 -0.94 120.40 128.59 2k4k s VAL 15 Ca -0.01 0.60 0.10 0.00 0.00 0.00 0.00 61.98 62.67 2k4k s VAL 15 Cb -0.14 -3.38 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 2k4k s VAL 15 CO -0.07 0.00 0.34 0.35 0.00 0.00 0.00 175.10 175.73 2k4k n THR 16 N 4.66 0.00 -3.68 3.92 -2.24 0.19 -1.17 114.28 115.96 2k4k n THR 16 Ca 0.15 -0.25 0.01 0.00 -2.27 0.00 0.00 64.05 61.70 2k4k n THR 16 Cb 0.41 0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 -2.50 -0.36 0.08 3.38 0.00 -1.19 -4.92 107.32 101.82 2k4k s GLY 17 Ca 0.00 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.33 2k4k s GLY 17 CO 0.42 0.92 -0.11 1.08 0.00 0.00 0.00 173.10 175.41 2k4k s LEU 18 N -3.10 2.35 0.08 0.66 1.43 -1.26 -1.00 118.68 117.84 2k4k s LEU 18 Ca 0.16 -0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 2k4k s LEU 18 Cb 0.04 -0.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.88 2k4k s LEU 18 CO -0.03 -0.19 0.15 -1.10 0.23 0.00 0.00 176.35 175.41 2k4k s GLN 19 N -2.31 0.81 0.00 1.70 -0.21 0.60 -4.96 119.66 115.30 2k4k s GLN 19 Ca 0.02 -1.01 0.06 0.00 0.02 0.00 0.00 55.36 54.44 2k4k s GLN 19 Cb -0.06 0.32 0.28 0.00 1.00 0.00 0.00 33.01 34.55 2k4k s GLN 19 CO 0.01 -0.25 1.03 0.00 -2.12 0.00 0.00 175.29 173.96 2k4k n ALA 20 N -0.04 1.44 -0.49 6.09 0.00 -1.26 -2.18 120.51 124.07 2k4k n ALA 20 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2k4k n ALA 20 Cb 0.62 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2k4k n ALA 20 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2k4k n TYR 21 N -1.29 0.00 0.00 0.00 0.18 -1.26 -4.95 117.16 109.83 2k4k n TYR 21 Ca 0.03 -0.18 0.00 0.00 1.88 0.00 0.00 57.90 59.63 2k4k n TYR 21 Cb 0.05 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 38.99 2k4k n TYR 21 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k4k n GLY 22 N -0.18 -0.59 3.08 -7.48 0.00 -0.93 -1.26 105.19 97.83 2k4k n GLY 22 Ca 0.00 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 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 1.63 0.35 4.61 0.00 0.12 -0.29 121.76 126.18 2k4k s ALA 23 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.05 2k4k s ALA 23 Cb 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 2k4k s ALA 23 CO 0.00 0.10 1.03 -0.06 0.00 0.00 0.00 175.76 176.83 2k4k s PHE 24 N 0.68 3.47 -0.04 0.00 0.08 -0.17 -0.88 117.98 121.13 2k4k s PHE 24 Ca -0.13 1.70 -0.01 0.00 0.12 0.00 0.00 56.93 58.61 2k4k s PHE 24 Cb -0.16 -3.10 0.03 0.00 -0.57 0.00 0.00 43.02 39.22 2k4k s PHE 24 CO 0.03 -0.35 0.04 0.08 -0.10 0.00 0.00 175.22 174.92 2k4k s VAL 25 N -1.52 0.02 -0.25 -0.44 1.01 -0.26 -0.63 120.40 118.33 2k4k s VAL 25 Ca 0.52 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 2k4k s VAL 25 Cb -0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 2k4k s VAL 25 CO 0.30 0.18 1.26 0.00 0.00 0.00 0.00 175.10 176.84 2k4k s ALA 26 N 1.83 3.50 -0.06 5.51 0.00 -0.11 -1.23 121.76 131.20 2k4k s ALA 26 Ca 0.01 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.23 2k4k s ALA 26 Cb -0.12 -3.70 -0.25 0.00 0.00 0.00 0.00 23.12 19.05 2k4k s ALA 26 CO -0.03 -1.50 0.62 -0.07 0.00 0.00 0.00 175.76 174.78 2k4k h LEU 27 N 10.34 0.21 -8.01 0.00 3.38 -1.36 0.65 115.31 120.52 2k4k h LEU 27 Ca -0.26 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.34 2k4k h LEU 27 Cb 1.10 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 2k4k h LEU 27 CO 1.01 1.37 0.15 -0.62 0.09 0.00 0.00 178.44 180.44 2k4k s ASP 28 N -6.58 -0.23 0.62 -0.43 2.15 -0.46 -4.65 116.67 107.08 2k4k s ASP 28 Ca -0.11 -0.65 0.30 0.00 0.43 0.00 0.00 52.55 52.51 2k4k s ASP 28 Cb 0.07 0.69 1.62 0.00 -0.30 0.00 0.00 42.92 45.00 2k4k s ASP 28 CO 0.81 -1.29 1.97 -0.33 -0.17 0.00 0.00 175.17 176.17 2k4k h GLU 29 N 2.06 0.00 0.00 4.34 4.39 -2.03 -2.83 114.58 120.51 2k4k h GLU 29 Ca -0.21 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.43 2k4k h GLU 29 Cb 1.25 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.78 2k4k h GLU 29 CO 0.26 0.00 -0.59 0.39 -1.16 0.00 0.00 179.01 177.91 2k4k n GLU 30 N -3.41 0.47 -3.76 2.33 1.02 -1.26 -5.04 120.64 110.99 2k4k n GLU 30 Ca 0.02 -1.96 -0.13 0.00 -0.02 0.00 0.00 57.16 55.08 2k4k n GLU 30 Cb 0.46 -0.68 -0.11 0.00 -0.02 0.00 0.00 31.44 31.09 2k4k n GLU 30 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2k4k s THR 31 N -1.00 -0.00 -0.17 2.62 2.01 -1.07 -5.07 115.64 112.96 2k4k s THR 31 Ca 0.22 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.03 2k4k s THR 31 Cb 0.23 -0.47 0.05 0.00 0.01 0.00 0.00 72.50 72.33 2k4k s THR 31 CO -0.06 0.00 0.54 -1.58 -0.69 0.00 0.00 174.62 172.83 2k4k s GLN 32 N 0.19 0.69 0.32 4.92 -0.44 -1.26 -1.04 119.66 123.03 2k4k s GLN 32 Ca -0.00 0.62 -0.02 0.00 -2.50 0.00 0.00 55.36 53.47 2k4k s GLN 32 Cb -0.02 0.33 0.01 0.00 -1.64 0.00 0.00 33.01 31.68 2k4k s GLN 32 CO 0.00 -0.11 0.44 0.41 0.50 0.00 0.00 175.29 176.53 2k4k n GLY 33 N 2.45 2.19 2.81 2.59 0.00 -0.37 -3.34 105.19 111.52 2k4k n GLY 33 Ca -0.15 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 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 1.60 -0.07 0.99 2.96 -0.20 -1.10 118.68 122.86 2k4k s LEU 34 Ca 0.26 -0.90 -0.30 0.00 -0.22 0.00 0.00 54.13 52.98 2k4k s LEU 34 Cb -0.01 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 2k4k s LEU 34 CO 0.19 -0.28 1.49 -0.69 -1.32 0.00 0.00 176.35 175.75 2k4k s VAL 35 N 1.71 3.78 0.35 1.68 1.01 -0.06 -0.99 120.40 127.89 2k4k s VAL 35 Ca -0.02 1.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.70 2k4k s VAL 35 Cb -0.17 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 2k4k s VAL 35 CO -0.07 -0.07 1.06 -2.28 0.00 0.00 0.00 175.10 173.74 2k4k s HIS 36 N 3.49 3.40 0.29 5.22 2.46 -1.24 -0.70 115.29 128.21 2k4k s HIS 36 Ca 0.66 1.67 0.04 0.00 0.47 0.00 0.00 55.06 57.91 2k4k s HIS 36 Cb -0.30 -3.18 0.67 0.00 -0.13 0.00 0.00 32.58 29.64 2k4k s HIS 36 CO 0.25 -0.57 1.80 0.97 -2.47 0.00 0.00 174.74 174.72 2k4k h ILE 37 N 2.54 0.79 0.00 0.89 2.10 -1.52 0.43 117.51 122.73 2k4k h ILE 37 Ca -0.48 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.17 2k4k h ILE 37 Cb 1.21 -0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 2k4k h ILE 37 CO 0.64 0.16 0.00 -1.20 -1.08 0.00 0.00 178.15 176.67 2k4k n SER 38 N -4.71 0.51 -0.83 2.19 7.64 -1.26 -1.67 113.62 115.49 2k4k n SER 38 Ca 0.22 0.66 0.07 0.00 1.01 0.00 0.00 58.87 60.84 2k4k n SER 38 Cb 0.49 -0.76 0.19 0.00 -1.01 0.00 0.00 64.21 63.12 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 -2.11 2.68 0.06 1.43 4.71 0.13 -4.43 120.64 123.11 2k4k n GLU 39 Ca 0.01 -2.16 -0.13 0.00 -0.01 0.00 0.00 57.16 54.87 2k4k n GLU 39 Cb 0.15 -1.35 -0.03 0.00 -1.01 0.00 0.00 31.44 29.19 2k4k n GLU 39 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2k4k h VAL 40 N 2.71 1.40 -2.92 2.62 2.07 -1.18 0.18 116.25 121.12 2k4k h VAL 40 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2k4k h VAL 40 Cb 0.79 2.36 -0.12 0.00 -1.52 0.00 0.00 31.29 32.80 2k4k h VAL 40 CO 0.00 0.72 0.24 0.28 0.02 0.00 0.00 177.57 178.83 2k4k s THR 41 N -3.33 0.00 0.04 2.57 -1.32 -1.26 -3.36 115.64 108.97 2k4k s THR 41 Ca -0.06 -0.07 0.23 0.00 -1.21 0.00 0.00 61.69 60.58 2k4k s THR 41 Cb 0.09 -1.07 0.23 0.00 -1.51 0.00 0.00 72.50 70.23 2k4k s THR 41 CO 0.86 0.00 1.76 0.45 -2.21 0.00 0.00 174.62 175.48 2k4k h HIS 42 N 2.00 0.00 -4.07 9.09 -0.00 -1.44 -3.46 115.15 117.27 2k4k h HIS 42 Ca -0.32 0.00 -0.48 0.00 -0.00 0.00 0.00 60.37 59.57 2k4k h HIS 42 Cb 1.30 0.00 0.14 0.00 -0.00 0.00 0.00 27.41 28.85 2k4k h HIS 42 CO 0.25 0.23 0.25 0.20 -0.00 0.00 0.00 177.93 178.86 2k4k s GLY 43 N -4.30 1.61 0.00 2.45 0.00 -1.26 -4.97 107.32 100.85 2k4k s GLY 43 Ca 0.02 -0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.30 2k4k s GLY 43 CO 0.65 0.37 1.82 -0.12 0.00 0.00 0.00 173.10 175.81 2k4k s PHE 44 N -2.97 1.65 -0.62 1.90 5.36 -1.26 -4.94 117.98 117.10 2k4k s PHE 44 Ca 0.63 -0.14 -0.27 0.00 -0.96 0.00 0.00 56.93 56.20 2k4k s PHE 44 Cb -0.18 -4.09 -0.01 0.00 -0.34 0.00 0.00 43.02 38.40 2k4k s PHE 44 CO 0.57 -4.75 1.75 0.14 -1.46 0.00 0.00 175.22 171.46 2k4k s VAL 45 N 4.16 3.43 0.08 3.12 -7.23 -1.26 -4.86 120.40 117.84 2k4k s VAL 45 Ca 0.81 0.26 -0.24 0.00 -1.81 0.00 0.00 61.98 61.01 2k4k s VAL 45 Cb -0.39 -4.10 -0.15 0.00 0.56 0.00 0.00 36.38 32.30 2k4k s VAL 45 CO 0.36 -1.04 1.71 0.11 -0.31 0.00 0.00 175.10 175.93 2k4k h LYS 46 N 13.99 -0.06 -1.83 4.82 1.57 -1.96 -3.45 116.57 129.65 2k4k h LYS 46 Ca -0.27 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2k4k h LYS 46 Cb 1.14 0.01 -0.22 0.00 0.08 0.00 0.00 32.23 33.25 2k4k h LYS 46 CO 1.22 -0.02 0.30 0.34 -0.57 0.00 0.00 179.45 180.72 2k4k s ASP 47 N -5.16 -0.59 0.35 0.86 -1.08 -1.26 -5.06 116.67 104.74 2k4k s ASP 47 Ca -0.13 0.92 0.12 0.00 -0.52 0.00 0.00 52.55 52.93 2k4k s ASP 47 Cb 0.06 0.86 0.91 0.00 -1.46 0.00 0.00 42.92 43.28 2k4k s ASP 47 CO 0.66 -0.34 1.79 -0.29 0.52 0.00 0.00 175.17 177.51 2k4k h ILE 48 N 3.36 0.65 0.00 4.11 2.10 -1.89 -0.43 117.51 125.42 2k4k h ILE 48 Ca -0.26 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.47 2k4k h ILE 48 Cb 1.16 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 2k4k h ILE 48 CO 0.21 0.11 0.00 -0.46 -1.08 0.00 0.00 178.15 176.92 2k4k n ASN 49 N -4.68 0.35 -0.15 2.19 0.23 -1.26 -0.97 115.26 110.97 2k4k n ASN 49 Ca 0.23 0.61 0.13 0.00 -0.53 0.00 0.00 54.58 55.02 2k4k n ASN 49 Cb 0.68 -0.67 0.44 0.00 -2.08 0.00 0.00 39.78 38.14 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 -1.91 0.60 0.00 -3.83 1.02 -0.17 -4.31 120.64 112.04 2k4k n GLU 50 Ca 0.02 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 2k4k n GLU 50 Cb 0.15 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2k4k n GLU 50 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2k4k n HIS 51 N -0.94 0.00 -4.04 -0.32 8.25 -0.52 -5.01 115.22 112.64 2k4k n HIS 51 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.48 2k4k n HIS 51 Cb 0.32 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 2k4k n HIS 51 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2k4k s LEU 52 N -0.36 0.56 -0.03 2.41 0.20 -0.15 -4.75 118.68 116.57 2k4k s LEU 52 Ca 0.00 -1.02 -0.01 0.00 0.69 0.00 0.00 54.13 53.79 2k4k s LEU 52 Cb 0.00 1.40 0.03 0.00 -0.43 0.00 0.00 46.19 47.19 2k4k s LEU 52 CO 0.00 -1.05 0.06 -0.44 -0.29 0.00 0.00 176.35 174.64 2k4k s SER 53 N -3.04 0.01 0.63 3.68 0.01 -1.26 -4.27 113.70 109.45 2k4k s SER 53 Ca 0.26 0.12 -0.17 0.00 1.31 0.00 0.00 55.95 57.47 2k4k s SER 53 Cb 0.01 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 2k4k s SER 53 CO 0.09 -0.12 1.14 0.54 0.41 0.00 0.00 173.24 175.30 2k4k s VAL 54 N 1.00 2.99 -0.93 3.43 0.11 -1.26 -3.93 120.40 121.81 2k4k s VAL 54 Ca -0.08 0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 59.48 2k4k s VAL 54 Cb -0.11 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 2k4k s VAL 54 CO -0.04 -0.22 0.15 0.61 -3.33 0.00 0.00 175.10 172.27 2k4k n GLY 55 N -0.06 -0.05 3.31 6.54 0.00 -0.32 -4.99 105.19 109.63 2k4k n GLY 55 Ca 0.12 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 2.10 -0.12 1.61 2.15 -1.25 -4.94 116.67 113.58 2k4k s ASP 56 Ca 0.07 -1.08 -0.04 0.00 0.43 0.00 0.00 52.55 51.94 2k4k s ASP 56 Cb -0.03 -0.05 -0.03 0.00 -0.30 0.00 0.00 42.92 42.50 2k4k s ASP 56 CO 0.09 -0.33 0.00 -0.70 -0.17 0.00 0.00 175.17 174.06 2k4k s GLU 57 N -3.74 3.38 -0.06 4.34 2.12 -1.26 -0.68 118.70 122.80 2k4k s GLU 57 Ca 0.22 -0.42 -0.06 0.00 0.36 0.00 0.00 54.97 55.07 2k4k s GLU 57 Cb 0.02 -2.92 0.01 0.00 0.26 0.00 0.00 34.13 31.51 2k4k s GLU 57 CO 0.05 0.49 0.17 0.14 -0.54 0.00 0.00 175.26 175.58 2k4k s VAL 58 N -0.30 0.01 0.19 3.70 -7.23 -0.10 -5.00 120.40 111.67 2k4k s VAL 58 Ca 0.06 -0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 59.83 2k4k s VAL 58 Cb -0.12 -0.28 -0.08 0.00 0.56 0.00 0.00 36.38 36.46 2k4k s VAL 58 CO 0.02 -0.06 1.08 -1.10 -0.31 0.00 0.00 175.10 174.73 2k4k s GLN 59 N -0.13 4.63 -0.02 4.82 1.11 -1.26 -1.34 119.66 127.47 2k4k s GLN 59 Ca -0.02 1.69 0.01 0.00 0.01 0.00 0.00 55.36 57.05 2k4k s GLN 59 Cb -0.02 -3.28 0.01 0.00 -1.01 0.00 0.00 33.01 28.71 2k4k s GLN 59 CO 0.00 0.13 -0.04 0.14 0.01 0.00 0.00 175.29 175.53 2k4k s VAL 60 N -0.38 0.42 0.08 1.09 -7.23 -0.02 -4.78 120.40 109.57 2k4k s VAL 60 Ca 0.48 -0.15 -0.25 0.00 -1.81 0.00 0.00 61.98 60.26 2k4k s VAL 60 Cb -0.29 -0.41 -0.06 0.00 0.56 0.00 0.00 36.38 36.18 2k4k s VAL 60 CO 0.35 0.16 0.75 -0.75 -0.31 0.00 0.00 175.10 175.30 2k4k s LYS 61 N 0.38 4.49 -0.24 4.82 2.20 -0.66 -0.84 119.74 129.90 2k4k s LYS 61 Ca -0.04 1.06 -0.29 0.00 -0.36 0.00 0.00 55.97 56.34 2k4k s LYS 61 Cb -0.08 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2k4k s LYS 61 CO -0.00 0.39 1.51 0.08 -0.36 0.00 0.00 175.35 176.96 2k4k s VAL 62 N -0.43 3.85 -0.20 4.02 1.01 0.14 -1.42 120.40 127.37 2k4k s VAL 62 Ca 0.37 0.96 0.17 0.00 0.00 0.00 0.00 61.98 63.49 2k4k s VAL 62 Cb -0.21 -3.85 -0.25 0.00 0.00 0.00 0.00 36.38 32.08 2k4k s VAL 62 CO 0.23 -0.34 0.06 -0.11 0.00 0.00 0.00 175.10 174.95 2k4k n LEU 63 N 8.08 0.11 -3.58 3.92 7.94 0.18 -1.30 117.00 132.35 2k4k n LEU 63 Ca 0.17 -0.01 -0.10 0.00 -1.11 0.00 0.00 56.01 54.97 2k4k n LEU 63 Cb 0.46 0.45 -0.02 0.00 0.53 0.00 0.00 43.42 44.83 2k4k n LEU 63 CO 0.64 0.51 0.44 0.00 -1.11 0.00 0.00 177.39 177.87 2k4k s ALA 64 N -2.49 -1.48 0.02 1.96 0.00 -1.06 -4.85 121.76 113.86 2k4k s ALA 64 Ca -0.11 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.11 2k4k s ALA 64 Cb 0.06 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 2k4k s ALA 64 CO 0.82 -0.86 -0.11 0.08 0.00 0.00 0.00 175.76 175.68 2k4k s VAL 65 N -3.79 0.88 -0.41 0.00 1.01 -1.26 -1.18 120.40 115.65 2k4k s VAL 65 Ca 0.05 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.38 2k4k s VAL 65 Cb -0.03 -0.79 0.24 0.00 0.00 0.00 0.00 36.38 35.81 2k4k s VAL 65 CO -0.06 0.07 0.51 -0.67 0.00 0.00 0.00 175.10 174.95 2k4k n ASP 66 N 2.31 0.35 0.33 3.32 2.03 0.22 -4.97 116.55 120.13 2k4k n ASP 66 Ca -0.16 -2.70 0.21 0.00 0.52 0.00 0.00 54.79 52.65 2k4k n ASP 66 Cb 0.56 -0.63 1.11 0.00 -0.72 0.00 0.00 41.12 41.43 2k4k n ASP 66 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2k4k h GLU 67 N 4.26 0.00 0.00 -0.67 4.11 -1.82 -0.49 114.58 119.97 2k4k h GLU 67 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.51 2k4k h GLU 67 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2k4k h GLU 67 CO 0.48 0.00 -0.11 0.93 0.07 0.00 0.00 179.01 180.38 2k4k h GLU 68 N 0.00 0.00 0.00 1.06 4.39 -1.94 -3.07 114.58 115.02 2k4k h GLU 68 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k4k h GLU 68 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2k4k h GLU 68 CO 0.00 0.11 0.00 1.63 -1.16 0.00 0.00 179.01 179.59 2k4k n LYS 69 N -3.61 2.08 -3.44 2.33 4.76 -0.61 -5.02 118.16 114.66 2k4k n LYS 69 Ca -0.02 -0.24 -0.20 0.00 -2.87 0.00 0.00 58.31 54.98 2k4k n LYS 69 Cb 0.23 -0.70 0.07 0.00 -1.84 0.00 0.00 35.03 32.80 2k4k n LYS 69 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k4k n GLY 70 N 0.36 -0.36 3.52 0.72 0.00 -0.29 -5.03 105.19 104.11 2k4k n GLY 70 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.99 1.76 0.01 1.61 -0.14 -0.75 -4.78 119.74 111.46 2k4k s LYS 71 Ca 0.42 -1.90 0.00 0.00 -1.36 0.00 0.00 55.97 53.13 2k4k s LYS 71 Cb -0.19 -1.61 -0.01 0.00 -1.68 0.00 0.00 37.83 34.35 2k4k s LYS 71 CO 0.65 0.13 -0.01 0.42 -0.76 0.00 0.00 175.35 175.78 2k4k s ILE 72 N -2.68 0.04 0.06 2.17 1.01 -1.21 -0.61 121.20 119.98 2k4k s ILE 72 Ca 0.32 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.64 2k4k s ILE 72 Cb 0.02 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.35 2k4k s ILE 72 CO 0.16 -0.18 0.17 -0.44 0.00 0.00 0.00 174.94 174.64 2k4k s SER 73 N -0.53 6.12 0.21 3.58 0.01 -0.32 -1.03 113.70 121.74 2k4k s SER 73 Ca -0.06 0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.42 2k4k s SER 73 Cb -0.04 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.32 2k4k s SER 73 CO -0.00 0.18 0.04 -0.76 0.41 0.00 0.00 173.24 173.11 2k4k s LEU 74 N -2.39 1.90 0.02 2.44 1.43 -0.16 -0.64 118.68 121.27 2k4k s LEU 74 Ca 0.32 -1.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.15 2k4k s LEU 74 Cb -0.13 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.05 2k4k s LEU 74 CO 0.25 -0.64 -0.03 -0.55 0.23 0.00 0.00 176.35 175.61 2k4k s SER 75 N -3.24 0.25 -0.02 2.29 0.15 -0.51 -3.62 113.70 109.00 2k4k s SER 75 Ca 0.30 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.45 2k4k s SER 75 Cb 0.07 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2k4k s SER 75 CO 0.08 -0.31 -0.00 -0.38 1.20 0.00 0.00 173.24 173.83 2k4k n ILE 76 N 1.53 0.15 0.22 6.45 2.08 -0.11 -1.65 119.36 128.03 2k4k n ILE 76 Ca -0.24 -0.08 0.14 0.00 0.56 0.00 0.00 62.75 63.14 2k4k n ILE 76 Cb 0.55 -0.86 0.78 0.00 -0.75 0.00 0.00 39.64 39.37 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 0.00 0.38 0.11 -0.75 0.14 114.38 114.26 2k4k h ARG 77 Ca -0.06 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.99 2k4k h ARG 77 Cb 1.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 2k4k h ARG 77 CO 0.00 0.00 -0.13 0.00 0.10 0.00 0.00 179.97 179.94 2k4k h ALA 78 N 1.90 1.07 0.00 0.08 0.00 -1.81 -3.22 119.26 117.28 2k4k h ALA 78 Ca 0.06 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2k4k h ALA 78 Cb 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2k4k h ALA 78 CO -0.00 0.17 -1.72 0.25 0.00 0.00 0.00 179.25 177.95 2k4k n THR 79 N -3.35 0.72 -3.57 0.00 -2.24 0.26 -4.89 114.28 101.21 2k4k n THR 79 Ca -0.00 -0.42 -0.22 0.00 -2.27 0.00 0.00 64.05 61.13 2k4k n THR 79 Cb 0.34 -0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 67.65 2k4k n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4k s GLN 80 N -2.25 0.10 0.36 -0.78 -2.07 0.16 -4.76 119.66 110.42 2k4k s GLN 80 Ca -0.07 0.07 0.09 0.00 -1.82 0.00 0.00 55.36 53.63 2k4k s GLN 80 Cb 0.03 -1.48 0.82 0.00 -1.09 0.00 0.00 33.01 31.30 2k4k s GLN 80 CO 0.41 -0.64 1.87 0.00 -1.32 0.00 0.00 175.29 175.62 2k4k h ALA 81 N 8.38 1.84 -2.41 2.60 0.00 -0.65 -3.33 119.26 125.69 2k4k h ALA 81 Ca -0.16 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 2k4k h ALA 81 Cb 1.15 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.66 2k4k h ALA 81 CO 0.27 -0.07 -0.71 0.00 0.00 0.00 0.00 179.25 178.74 2k4k s ALA 82 N -5.67 1.10 -0.83 0.00 0.00 -1.20 -1.11 121.76 114.04 2k4k s ALA 82 Ca -0.10 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2k4k s ALA 82 Cb 0.22 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.43 2k4k s ALA 82 CO 0.79 -0.14 0.27 -0.35 0.00 0.00 0.00 175.76 176.32 2k4k n PRO 83 N 0.16 0.46 0.00 0.00 -0.04 -1.26 -2.04 135.00 132.27 2k4k n PRO 83 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2k4k n PRO 83 Cb 0.60 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 2k4k n PRO 83 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k4k n GLU 84 N 0.35 0.16 -3.68 0.54 0.28 -1.26 -5.11 120.64 111.93 2k4k n GLU 84 Ca 0.00 -0.01 -0.14 0.00 -0.16 0.00 0.00 57.16 56.85 2k4k n GLU 84 Cb 0.13 -0.25 -0.08 0.00 1.43 0.00 0.00 31.44 32.66 2k4k n GLU 84 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2k4k s LYS 85 N -0.03 0.68 0.09 3.44 2.20 -0.87 -5.07 119.74 120.19 2k4k s LYS 85 Ca 0.00 0.54 -0.21 0.00 -0.36 0.00 0.00 55.97 55.94 2k4k s LYS 85 Cb 0.00 0.32 -0.12 0.00 -1.51 0.00 0.00 37.83 36.53 2k4k s LYS 85 CO 0.00 -0.12 1.68 0.87 -0.36 0.00 0.00 175.35 177.42 2k4k h LYS 86 N 4.82 0.15 -2.77 4.03 1.57 -1.86 -2.62 116.57 119.89 2k4k h LYS 86 Ca -0.28 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 2k4k h LYS 86 Cb 1.17 -0.03 -0.18 0.00 0.08 0.00 0.00 32.23 33.27 2k4k h LYS 86 CO 0.23 0.19 -0.06 -2.00 -0.57 0.00 0.00 179.45 177.24 2k4k s GLU 87 N -5.84 0.91 0.00 3.15 2.56 -1.26 -0.94 118.70 117.28 2k4k s GLU 87 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.97 54.67 2k4k s GLU 87 Cb 0.07 0.41 0.00 0.00 2.00 0.00 0.00 34.13 36.61 2k4k s GLU 87 CO 0.68 -0.30 0.00 0.43 -0.56 0.00 0.00 175.26 175.52 2k4k n SER 88 N 0.76 2.81 -4.76 -1.70 7.64 -1.26 -4.98 113.62 112.13 2k4k n SER 88 Ca -0.19 -0.04 -0.39 0.00 1.01 0.00 0.00 58.87 59.26 2k4k n SER 88 Cb 0.58 0.64 0.02 0.00 -1.01 0.00 0.00 64.21 64.44 2k4k n SER 88 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k4k s LYS 89 N -1.20 3.54 1.15 1.43 1.02 -1.26 -5.04 119.74 119.38 2k4k s LYS 89 Ca 0.00 2.19 -0.18 0.00 0.02 0.00 0.00 55.97 58.00 2k4k s LYS 89 Cb 0.00 -2.48 0.26 0.00 -0.52 0.00 0.00 37.83 35.09 2k4k s LYS 89 CO 0.00 -0.85 1.13 -1.25 -0.92 0.00 0.00 175.35 173.46 2k4k s PRO 90 N -2.62 -0.82 -0.01 -1.68 0.04 -1.26 -5.00 135.00 123.65 2k4k s PRO 90 Ca 0.65 -0.04 -0.04 0.00 0.04 0.00 0.00 61.00 61.61 2k4k s PRO 90 Cb -0.39 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k4k s PRO 90 CO 0.48 -3.45 0.08 0.50 0.04 0.00 0.00 177.00 174.65 2k4k s ARG 91 N -5.40 0.28 0.85 4.56 3.52 -1.26 -4.99 118.95 116.50 2k4k s ARG 91 Ca 0.70 -0.21 -0.12 0.00 -0.13 0.00 0.00 55.73 55.98 2k4k s ARG 91 Cb -0.10 0.12 0.11 0.00 -1.56 0.00 0.00 34.95 33.51 2k4k s ARG 91 CO 0.56 -0.06 1.18 0.15 -0.81 0.00 0.00 175.30 176.32 2k4k s LYS 92 N -0.77 1.40 0.92 5.12 3.01 -1.26 -4.07 119.74 124.09 2k4k s LYS 92 Ca -0.09 1.67 -0.10 0.00 -1.01 0.00 0.00 55.97 56.44 2k4k s LYS 92 Cb -0.05 -1.76 0.15 0.00 -1.01 0.00 0.00 37.83 35.16 2k4k s LYS 92 CO 0.00 -2.37 1.13 -1.25 0.51 0.00 0.00 175.35 173.37 2k4k s PRO 93 N -4.35 1.02 -0.89 -1.68 0.04 -1.26 -4.90 135.00 122.98 2k4k s PRO 93 Ca 0.70 1.42 -0.25 0.00 0.04 0.00 0.00 61.00 62.92 2k4k s PRO 93 Cb -0.26 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2k4k s PRO 93 CO 0.53 -2.59 1.93 0.21 0.04 0.00 0.00 177.00 177.13 2k4k s LYS 94 N -4.68 2.57 -0.02 4.56 2.36 -1.16 -4.62 119.74 118.75 2k4k s LYS 94 Ca 0.66 -0.26 0.14 0.00 -2.55 0.00 0.00 55.97 53.96 2k4k s LYS 94 Cb -0.22 -5.03 0.24 0.00 -1.05 0.00 0.00 37.83 31.77 2k4k s LYS 94 CO 0.58 -3.33 1.10 0.00 1.55 0.00 0.00 175.35 175.26 2k4k n ALA 95 N 13.83 2.28 -2.85 3.13 0.00 -1.26 -4.98 120.51 130.66 2k4k n ALA 95 Ca 0.39 -1.86 -0.09 0.00 0.00 0.00 0.00 53.44 51.89 2k4k n ALA 95 Cb 0.47 -0.60 -0.11 0.00 0.00 0.00 0.00 19.45 19.22 2k4k n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k s ALA 96 N -0.35 0.18 -0.60 0.00 0.00 -1.26 -0.95 121.76 118.79 2k4k s ALA 96 Ca 0.20 -0.68 0.23 0.00 0.00 0.00 0.00 51.96 51.71 2k4k s ALA 96 Cb 0.22 0.17 0.92 0.00 0.00 0.00 0.00 23.12 24.43 2k4k s ALA 96 CO -0.08 -0.19 1.71 0.00 0.00 0.00 0.00 175.76 177.20 2k4k n GLN 97 N 1.39 0.18 -0.06 0.00 10.64 -1.26 -4.02 117.38 124.25 2k4k n GLN 97 Ca -0.23 0.35 -0.13 0.00 -1.83 0.00 0.00 57.00 55.17 2k4k n GLN 97 Cb 0.56 -1.81 -0.06 0.00 -0.86 0.00 0.00 30.24 28.06 2k4k n GLN 97 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2k4k h VAL 98 N 0.00 1.33 -4.22 -0.39 2.07 -1.96 -3.44 116.25 109.64 2k4k h VAL 98 Ca 0.00 -1.31 -0.50 0.00 0.82 0.00 0.00 66.70 65.71 2k4k h VAL 98 Cb 0.43 1.80 0.09 0.00 -1.52 0.00 0.00 31.29 32.09 2k4k h VAL 98 CO 0.00 0.39 0.37 -0.94 0.02 0.00 0.00 177.57 177.41 2k4k s SER 99 N -6.19 5.27 0.15 0.57 1.04 -1.26 -5.08 113.70 108.21 2k4k s SER 99 Ca -0.14 1.90 -0.06 0.00 0.48 0.00 0.00 55.95 58.13 2k4k s SER 99 Cb 0.06 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.62 2k4k s SER 99 CO 0.77 -1.52 0.20 -1.83 0.98 0.00 0.00 173.24 171.84 2k4k s GLU 100 N -4.24 1.07 0.25 4.02 -1.05 -1.26 -5.03 118.70 112.46 2k4k s GLU 100 Ca 0.65 -1.28 -0.03 0.00 -0.15 0.00 0.00 54.97 54.16 2k4k s GLU 100 Cb -0.18 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.81 2k4k s GLU 100 CO 0.43 -0.36 0.29 -1.21 0.95 0.00 0.00 175.26 175.35 2k4k s GLU 101 N -4.00 1.46 -0.10 -4.83 2.02 -1.26 -5.08 118.70 106.92 2k4k s GLU 101 Ca 0.20 -1.60 0.13 0.00 0.02 0.00 0.00 54.97 53.72 2k4k s GLU 101 Cb 0.05 0.35 0.23 0.00 0.10 0.00 0.00 34.13 34.86 2k4k s GLU 101 CO 0.01 -0.55 1.12 0.00 0.02 0.00 0.00 175.26 175.86 2k4k n ALA 102 N -0.39 2.34 -1.81 5.21 0.00 -1.26 -4.99 120.51 119.61 2k4k n ALA 102 Ca 0.02 -2.24 -0.18 0.00 0.00 0.00 0.00 53.44 51.04 2k4k n ALA 102 Cb 0.64 -0.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.92 -4.89 -4.72 0.00 7.64 -1.26 -4.97 113.62 104.50 2k4k n SER 103 Ca 0.11 0.32 -0.33 0.00 1.01 0.00 0.00 58.87 59.98 2k4k n SER 103 Cb 0.69 -4.29 0.11 0.00 -1.01 0.00 0.00 64.21 59.71 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 -2.64 2.42 -0.81 0.44 -4.23 -1.26 -4.96 115.64 104.60 2k4k s THR 104 Ca 0.00 0.18 0.24 0.00 -1.18 0.00 0.00 61.69 60.92 2k4k s THR 104 Cb 0.00 -2.58 0.23 0.00 1.34 0.00 0.00 72.50 71.48 2k4k s THR 104 CO 0.00 -0.14 1.73 -0.81 -0.54 0.00 0.00 174.62 174.87 2k4k n PRO 105 N -3.20 0.12 -1.62 3.99 -0.04 -1.26 -4.86 135.00 128.12 2k4k n PRO 105 Ca 0.12 0.21 -0.51 0.00 -0.04 0.00 0.00 63.50 63.29 2k4k n PRO 105 Cb 0.51 -1.67 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 2k4k n PRO 105 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2k4k n GLN 106 N -1.88 1.43 -1.00 0.54 -0.06 -1.26 -1.48 117.38 113.68 2k4k n GLN 106 Ca 0.05 0.52 0.00 0.00 -2.00 0.00 0.00 57.00 55.57 2k4k n GLN 106 Cb 0.30 -2.20 0.00 0.00 -4.06 0.00 0.00 30.24 24.28 2k4k n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k4k n GLY 107 N 2.89 0.68 5.00 1.69 0.00 -1.26 -4.56 105.19 109.63 2k4k n GLY 107 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2k4k n GLY 107 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k4k n PHE 108 N -2.59 0.00 -3.73 1.61 7.35 -0.55 -4.00 117.46 115.55 2k4k n PHE 108 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 2k4k n PHE 108 Cb 0.01 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 2k4k n PHE 108 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2k4k s ASN 109 N 0.00 -0.13 -0.34 -2.13 2.47 -1.26 -4.93 114.94 108.62 2k4k s ASN 109 Ca 0.00 -0.29 -0.39 0.00 0.42 0.00 0.00 52.86 52.60 2k4k s ASN 109 Cb 0.00 0.39 -0.14 0.00 -1.45 0.00 0.00 41.25 40.05 2k4k s ASN 109 CO 0.00 -0.71 1.96 0.41 -3.72 0.00 0.00 177.10 175.05 2k4k n THR 110 N 0.23 0.23 -1.75 -5.21 -1.04 -1.26 -4.85 114.28 100.63 2k4k n THR 110 Ca -0.17 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.05 61.31 2k4k n THR 110 Cb 0.61 -1.28 0.01 0.00 -1.82 0.00 0.00 70.33 67.85 2k4k n THR 110 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k4k n LEU 111 N 7.30 4.77 -3.76 -4.42 -0.00 -1.26 -4.78 117.00 114.86 2k4k n LEU 111 Ca 0.36 1.15 -0.14 0.00 -0.00 0.00 0.00 56.01 57.38 2k4k n LEU 111 Cb 0.14 -1.59 -0.15 0.00 -0.00 0.00 0.00 43.42 41.83 2k4k n LEU 111 CO 0.80 -0.16 -0.26 -0.75 -0.00 0.00 0.00 177.39 177.02 2k4k s LYS 112 N -2.28 0.06 0.00 1.47 2.20 -1.26 -3.00 119.74 116.93 2k4k s LYS 112 Ca 0.59 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 2k4k s LYS 112 Cb -0.47 -0.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.66 2k4k s LYS 112 CO 0.60 -0.16 0.00 -3.47 -0.36 0.00 0.00 175.35 171.95 2k4k n ASP 113 N 4.18 0.00 -4.21 1.43 2.03 -1.26 -4.81 116.55 113.90 2k4k n ASP 113 Ca -0.27 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 54.92 2k4k n ASP 113 Cb 0.51 -0.91 -0.10 0.00 -0.72 0.00 0.00 41.12 39.90 2k4k n ASP 113 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k4k s LYS 114 N 0.00 1.23 0.75 -0.67 3.01 -1.26 -4.94 119.74 117.85 2k4k s LYS 114 Ca 0.00 -1.65 -0.16 0.00 -1.01 0.00 0.00 55.97 53.15 2k4k s LYS 114 Cb 0.00 0.20 -0.02 0.00 -1.01 0.00 0.00 37.83 37.00 2k4k s LYS 114 CO 0.00 -0.38 0.64 -0.11 0.51 0.00 0.00 175.35 176.02 2k4k n LEU 115 N -0.30 1.48 -4.61 3.17 7.94 -1.26 -4.73 117.00 118.70 2k4k n LEU 115 Ca 0.02 0.58 -0.44 0.00 -1.11 0.00 0.00 56.01 55.07 2k4k n LEU 115 Cb 0.66 -1.27 -0.01 0.00 0.53 0.00 0.00 43.42 43.33 2k4k n LEU 115 CO 0.34 -2.86 0.61 -1.84 -1.11 0.00 0.00 177.39 172.52 2k4k n GLU 116 N -1.18 1.45 -3.50 1.96 0.28 -1.26 -4.84 120.64 113.56 2k4k n GLU 116 Ca 0.11 0.51 -0.10 0.00 -0.16 0.00 0.00 57.16 57.52 2k4k n GLU 116 Cb 0.50 -1.94 -0.02 0.00 1.43 0.00 0.00 31.44 31.41 2k4k n GLU 116 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2k4k s GLU 117 N -1.68 1.11 0.58 3.44 2.56 -1.26 -5.03 118.70 118.43 2k4k s GLU 117 Ca 0.59 -0.44 0.30 0.00 0.00 0.00 0.00 54.97 55.42 2k4k s GLU 117 Cb -0.65 0.49 1.75 0.00 2.00 0.00 0.00 34.13 37.72 2k4k s GLU 117 CO 0.60 -0.49 2.22 0.11 -0.56 0.00 0.00 175.26 177.13 2k4k h TRP 118 N 2.00 0.00 -4.24 5.30 5.08 -1.95 -3.40 115.95 118.74 2k4k h TRP 118 Ca -0.28 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.17 2k4k h TRP 118 Cb 1.27 0.00 0.19 0.00 -3.00 0.00 0.00 29.16 27.62 2k4k h TRP 118 CO 0.26 0.03 0.28 0.96 -1.28 0.00 0.00 178.44 178.69 2k4k s ILE 119 N -4.51 2.02 0.73 0.12 -4.36 -1.26 -4.90 121.20 109.04 2k4k s ILE 119 Ca -0.04 0.01 -0.15 0.00 -0.26 0.00 0.00 60.65 60.20 2k4k s ILE 119 Cb 0.15 -2.21 0.04 0.00 1.25 0.00 0.00 42.46 41.68 2k4k s ILE 119 CO 0.55 -0.01 1.22 -1.61 0.24 0.00 0.00 174.94 175.34 2k4k s GLU 120 N -4.39 2.14 0.00 0.37 0.41 -1.26 -4.73 118.70 111.23 2k4k s GLU 120 Ca 0.70 1.82 0.00 0.00 -0.41 0.00 0.00 54.97 57.08 2k4k s GLU 120 Cb -0.26 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.27 2k4k s GLU 120 CO 0.54 -1.85 0.24 -1.33 -0.49 0.00 0.00 175.26 172.38 2k4k n MET 121 N -2.65 0.04 -0.86 1.61 2.81 -1.26 -5.02 117.12 111.78 2k4k n MET 121 Ca 0.14 -0.24 0.12 0.00 -1.81 0.00 0.00 57.70 55.90 2k4k n MET 121 Cb 0.50 -0.71 -0.03 0.00 -0.71 0.00 0.00 33.22 32.27 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 -0.07 -5.94 -3.69 7.83 7.64 -1.26 -4.79 113.62 113.33 2k4k n SER 122 Ca 0.00 0.92 -0.13 0.00 1.01 0.00 0.00 58.87 60.67 2k4k n SER 122 Cb 0.10 -2.60 -0.07 0.00 -1.01 0.00 0.00 64.21 60.63 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 -5.45 -0.28 0.06 6.43 3.84 -1.26 -4.85 114.94 113.43 2k4k s ASN 123 Ca 0.00 0.09 -0.07 0.00 0.21 0.00 0.00 52.86 53.10 2k4k s ASN 123 Cb 0.00 0.39 -0.01 0.00 -0.55 0.00 0.00 41.25 41.08 2k4k s ASN 123 CO 0.00 -0.58 0.13 -0.60 -2.79 0.00 0.00 177.10 173.26 2k4k s ARG 124 N -1.94 0.72 0.28 0.43 6.06 -1.26 -5.06 118.95 118.18 2k4k s ARG 124 Ca -0.09 -0.91 0.00 0.00 -2.50 0.00 0.00 55.73 52.23 2k4k s ARG 124 Cb -0.02 0.29 0.52 0.00 0.06 0.00 0.00 34.95 35.79 2k4k s ARG 124 CO 0.01 -0.20 1.83 -0.22 -2.50 0.00 0.00 175.30 174.23 2k4k h LYS 125 N 3.13 0.95 -3.52 5.12 1.63 -2.08 -3.43 116.57 118.36 2k4k h LYS 125 Ca -0.33 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.35 2k4k h LYS 125 Cb 1.18 -0.21 -0.12 0.00 -0.60 0.00 0.00 32.23 32.48 2k4k h LYS 125 CO 0.56 0.63 -0.13 0.34 -3.45 0.00 0.00 179.45 177.39 2k4k s ASP 126 N -5.69 -0.14 0.02 4.20 2.15 -1.26 -5.19 116.67 110.76 2k4k s ASP 126 Ca -0.12 -0.54 -0.01 0.00 0.43 0.00 0.00 52.55 52.31 2k4k s ASP 126 Cb 0.22 0.48 -0.02 0.00 -0.30 0.00 0.00 42.92 43.30 2k4k s ASP 126 CO 0.81 -0.92 -0.01 -0.76 -0.17 0.00 0.00 175.17 174.12 2k4k s LEU 127 N -2.87 2.16 0.27 -1.34 1.43 -1.26 -5.14 118.68 111.92 2k4k s LEU 127 Ca 0.09 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 2k4k s LEU 127 Cb 0.02 0.17 -0.13 0.00 0.03 0.00 0.00 46.19 46.28 2k4k s LEU 127 CO -0.06 -0.31 1.31 0.00 0.23 0.00 0.00 176.35 177.52 2k4k n ILE 128 N 1.56 1.37 -3.82 -0.59 3.06 -1.26 -5.02 119.36 114.67 2k4k n ILE 128 Ca -0.24 -0.34 -0.14 0.00 -2.50 0.00 0.00 62.75 59.53 2k4k n ILE 128 Cb 0.55 -1.41 -0.15 0.00 0.54 0.00 0.00 39.64 39.17 2k4k n ILE 128 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2k4k s LYS 129 N -0.97 -0.01 0.00 9.51 1.02 -1.26 -4.71 119.74 123.32 2k4k s LYS 129 Ca 0.64 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.73 2k4k s LYS 129 Cb -0.64 -0.15 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 2k4k s LYS 129 CO 0.55 -0.09 0.38 1.17 -0.92 0.00 0.00 175.35 176.43