#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k s ALA 2 N 0.00 -0.52 0.62 -5.12 0.00 -1.26 -5.16 121.76 110.33 2k4k s ALA 2 Ca 0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 2k4k s ALA 2 Cb 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 2k4k s ALA 2 CO 0.00 -0.54 1.28 0.00 0.00 0.00 0.00 175.76 176.50 2k4k s ALA 3 N -3.68 2.47 0.42 0.00 0.00 -1.26 -4.94 121.76 114.77 2k4k s ALA 3 Ca 0.03 1.19 0.14 0.00 0.00 0.00 0.00 51.96 53.32 2k4k s ALA 3 Cb 0.03 -3.53 0.93 0.00 0.00 0.00 0.00 23.12 20.55 2k4k s ALA 3 CO -0.10 -1.47 1.94 1.57 0.00 0.00 0.00 175.76 177.70 2k4k h LYS 4 N 0.73 0.00 -6.87 0.00 2.10 -2.06 -3.44 116.57 107.03 2k4k h LYS 4 Ca -0.51 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 57.65 2k4k h LYS 4 Cb 1.32 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.67 2k4k h LYS 4 CO 0.54 0.24 0.44 -0.06 -2.00 0.00 0.00 179.45 178.61 2k4k s PHE 5 N -4.47 3.47 0.03 0.07 0.08 -1.26 -5.06 117.98 110.83 2k4k s PHE 5 Ca -0.03 1.69 -0.07 0.00 0.12 0.00 0.00 56.93 58.64 2k4k s PHE 5 Cb 0.15 -3.20 -0.00 0.00 -0.57 0.00 0.00 43.02 39.40 2k4k s PHE 5 CO 0.70 -0.52 0.13 -1.21 -0.10 0.00 0.00 175.22 174.21 2k4k s GLU 6 N -1.88 0.56 0.02 0.44 2.02 -1.26 -5.02 118.70 113.57 2k4k s GLU 6 Ca 0.50 -0.61 -0.35 0.00 0.02 0.00 0.00 54.97 54.54 2k4k s GLU 6 Cb -0.27 0.23 -0.13 0.00 0.10 0.00 0.00 34.13 34.05 2k4k s GLU 6 CO 0.35 -0.14 1.69 1.33 0.02 0.00 0.00 175.26 178.50 2k4k n VAL 7 N 1.01 0.26 0.00 2.63 0.24 -1.26 -1.34 118.33 119.87 2k4k n VAL 7 Ca -0.20 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2k4k n VAL 7 Cb 0.57 -1.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 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 3.79 1.74 3.71 7.63 0.00 -0.14 -5.01 105.19 116.91 2k4k n GLY 8 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2k4k n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k4k s SER 9 N -1.51 3.70 -0.04 1.61 1.04 -0.45 -4.78 113.70 113.27 2k4k s SER 9 Ca 0.00 2.26 -0.01 0.00 0.48 0.00 0.00 55.95 58.68 2k4k s SER 9 Cb 0.00 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.58 2k4k s SER 9 CO 0.00 -2.59 0.08 0.54 0.98 0.00 0.00 173.24 172.25 2k4k s VAL 10 N -2.31 -0.08 0.00 5.02 0.11 -1.26 -0.63 120.40 121.25 2k4k s VAL 10 Ca 0.71 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 2k4k s VAL 10 Cb -0.26 -0.15 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 2k4k s VAL 10 CO 0.51 0.10 0.00 -1.22 -3.33 0.00 0.00 175.10 171.17 2k4k n TYR 11 N 4.46 -0.10 -4.40 1.54 4.01 -0.48 -4.99 117.16 117.20 2k4k n TYR 11 Ca -0.22 -0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.27 2k4k n TYR 11 Cb 0.50 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.40 2k4k n TYR 11 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2k4k s THR 12 N -2.10 1.77 0.23 -0.72 2.01 -1.26 -0.55 115.64 115.02 2k4k s THR 12 Ca 0.00 -1.48 -0.06 0.00 0.31 0.00 0.00 61.69 60.47 2k4k s THR 12 Cb 0.00 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.95 2k4k s THR 12 CO 0.00 0.03 0.41 0.61 -0.69 0.00 0.00 174.62 174.98 2k4k n GLY 13 N 1.27 1.84 3.12 4.40 0.00 -0.15 -4.82 105.19 110.86 2k4k n GLY 13 Ca -0.19 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.25 1.59 0.00 1.61 1.02 -0.09 -0.93 119.74 120.70 2k4k s LYS 14 Ca 0.13 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 2k4k s LYS 14 Cb -0.02 -1.42 -0.05 0.00 -0.52 0.00 0.00 37.83 35.82 2k4k s LYS 14 CO 0.10 0.24 1.34 0.08 -0.92 0.00 0.00 175.35 176.19 2k4k s VAL 15 N -0.01 3.81 -0.42 3.17 1.01 0.12 -0.73 120.40 127.35 2k4k s VAL 15 Ca -0.02 1.21 0.07 0.00 0.00 0.00 0.00 61.98 63.24 2k4k s VAL 15 Cb -0.10 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 2k4k s VAL 15 CO 0.01 0.01 0.36 0.35 0.00 0.00 0.00 175.10 175.84 2k4k n THR 16 N 4.53 0.00 -3.55 3.92 -2.24 0.16 -0.97 114.28 116.12 2k4k n THR 16 Ca 0.12 -0.34 -0.06 0.00 -2.27 0.00 0.00 64.05 61.49 2k4k n THR 16 Cb 0.44 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.59 -0.39 0.02 3.38 0.00 -1.19 -4.93 107.32 102.63 2k4k s GLY 17 Ca 0.04 1.17 0.02 0.00 0.00 0.00 0.00 44.72 45.95 2k4k s GLY 17 CO 0.28 0.38 -0.08 1.08 0.00 0.00 0.00 173.10 174.77 2k4k s LEU 18 N -2.41 2.15 0.11 0.66 1.43 -1.26 -1.06 118.68 118.28 2k4k s LEU 18 Ca 0.07 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 2k4k s LEU 18 Cb -0.01 -0.28 0.04 0.00 0.03 0.00 0.00 46.19 45.97 2k4k s LEU 18 CO -0.07 -0.06 0.44 -1.10 0.23 0.00 0.00 176.35 175.79 2k4k s GLN 19 N -0.94 1.06 0.00 1.70 -0.21 -0.10 -4.99 119.66 116.18 2k4k s GLN 19 Ca -0.03 -0.57 0.03 0.00 0.02 0.00 0.00 55.36 54.81 2k4k s GLN 19 Cb -0.07 0.47 0.18 0.00 1.00 0.00 0.00 33.01 34.60 2k4k s GLN 19 CO 0.00 -0.41 0.85 0.00 -2.12 0.00 0.00 175.29 173.61 2k4k n ALA 20 N -0.04 1.44 -0.37 6.09 0.00 -1.26 -1.83 120.51 124.54 2k4k n ALA 20 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k4k n ALA 20 Cb 0.63 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.19 0.00 0.00 0.00 4.11 -1.26 -4.93 117.16 113.88 2k4k n TYR 21 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 2k4k n TYR 21 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.36 2k4k n TYR 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k4k n GLY 22 N 0.07 0.11 2.99 -7.48 0.00 -0.76 -0.90 105.19 99.22 2k4k n GLY 22 Ca 0.00 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 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 1.55 0.24 4.61 0.00 0.08 -0.92 121.76 125.31 2k4k s ALA 23 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 2k4k s ALA 23 Cb 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 23.12 22.15 2k4k s ALA 23 CO 0.00 -0.25 1.00 -0.06 0.00 0.00 0.00 175.76 176.45 2k4k s PHE 24 N 1.32 3.83 -0.14 0.00 0.08 -0.23 -0.79 117.98 122.05 2k4k s PHE 24 Ca -0.01 1.83 -0.02 0.00 0.12 0.00 0.00 56.93 58.85 2k4k s PHE 24 Cb -0.14 -3.09 0.05 0.00 -0.57 0.00 0.00 43.02 39.27 2k4k s PHE 24 CO -0.05 0.08 0.02 0.08 -0.10 0.00 0.00 175.22 175.24 2k4k s VAL 25 N -1.03 0.48 0.37 -0.44 1.01 -0.33 -0.67 120.40 119.79 2k4k s VAL 25 Ca 0.43 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.87 2k4k s VAL 25 Cb -0.28 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.17 2k4k s VAL 25 CO 0.35 -0.01 1.08 0.00 0.00 0.00 0.00 175.10 176.52 2k4k s ALA 26 N 1.90 3.18 -0.02 5.51 0.00 0.10 -1.27 121.76 131.16 2k4k s ALA 26 Ca 0.02 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.79 2k4k s ALA 26 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2k4k s ALA 26 CO -0.07 -0.24 0.03 1.28 0.00 0.00 0.00 175.76 176.76 2k4k n LEU 27 N 0.29 0.00 -3.53 0.00 4.77 0.12 -0.91 117.00 117.74 2k4k n LEU 27 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 2k4k n LEU 27 Cb 0.48 0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2k4k n LEU 27 CO 0.48 0.05 0.47 -0.62 -1.33 0.00 0.00 177.39 176.44 2k4k s ASP 28 N -3.04 -0.46 0.43 -1.43 -1.08 -0.96 -4.84 116.67 105.28 2k4k s ASP 28 Ca -0.01 -0.13 0.26 0.00 -0.52 0.00 0.00 52.55 52.14 2k4k s ASP 28 Cb 0.01 0.58 1.40 0.00 -1.46 0.00 0.00 42.92 43.46 2k4k s ASP 28 CO 0.12 -0.98 1.77 -0.33 0.52 0.00 0.00 175.17 176.27 2k4k h GLU 29 N 2.00 0.00 0.00 4.34 4.39 -2.05 -1.90 114.58 121.36 2k4k h GLU 29 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2k4k h GLU 29 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2k4k h GLU 29 CO 0.33 0.00 -0.09 0.39 -1.16 0.00 0.00 179.01 178.48 2k4k n GLU 30 N -2.45 1.02 -3.85 2.33 -0.58 -1.26 -5.07 120.64 110.78 2k4k n GLU 30 Ca -0.02 -1.15 -0.14 0.00 -0.42 0.00 0.00 57.16 55.44 2k4k n GLU 30 Cb 0.12 -0.77 -0.15 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.66 0.00 0.07 2.62 2.01 -0.72 -5.10 115.64 113.87 2k4k s THR 31 Ca 0.04 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.00 2k4k s THR 31 Cb 0.04 -0.06 0.02 0.00 0.01 0.00 0.00 72.50 72.50 2k4k s THR 31 CO 0.00 0.05 0.28 -1.58 -0.69 0.00 0.00 174.62 172.69 2k4k s GLN 32 N 0.47 0.87 0.34 4.92 0.74 -1.26 -0.70 119.66 125.04 2k4k s GLN 32 Ca -0.04 -0.69 0.08 0.00 0.05 0.00 0.00 55.36 54.76 2k4k s GLN 32 Cb -0.06 0.37 -0.03 0.00 1.10 0.00 0.00 33.01 34.39 2k4k s GLN 32 CO -0.01 -0.29 0.28 0.20 -0.55 0.00 0.00 175.29 174.92 2k4k s GLY 33 N -2.46 2.39 -0.11 2.59 0.00 -0.39 -4.10 107.32 105.24 2k4k s GLY 33 Ca -0.00 -2.06 -0.01 0.00 0.00 0.00 0.00 44.72 42.65 2k4k s GLY 33 CO -0.07 -1.49 -0.07 -2.27 0.00 0.00 0.00 173.10 169.20 2k4k s LEU 34 N -3.39 1.12 -0.14 0.66 2.96 -0.45 -1.19 118.68 118.25 2k4k s LEU 34 Ca 0.40 -0.28 -0.28 0.00 -0.22 0.00 0.00 54.13 53.75 2k4k s LEU 34 Cb 0.02 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.90 2k4k s LEU 34 CO 0.28 -0.13 0.96 -0.69 -1.32 0.00 0.00 176.35 175.46 2k4k s VAL 35 N 1.73 4.79 0.35 1.68 1.01 0.03 -1.30 120.40 128.70 2k4k s VAL 35 Ca 0.05 1.93 -0.26 0.00 0.00 0.00 0.00 61.98 63.71 2k4k s VAL 35 Cb -0.13 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 2k4k s VAL 35 CO -0.08 -0.02 0.99 -2.28 0.00 0.00 0.00 175.10 173.72 2k4k s HIS 36 N 2.22 3.54 0.44 5.22 2.46 -1.26 -0.74 115.29 127.17 2k4k s HIS 36 Ca 0.45 1.73 0.19 0.00 0.47 0.00 0.00 55.06 57.90 2k4k s HIS 36 Cb -0.17 -3.02 1.14 0.00 -0.13 0.00 0.00 32.58 30.40 2k4k s HIS 36 CO 0.15 -0.13 1.89 0.97 -2.47 0.00 0.00 174.74 175.15 2k4k h ILE 37 N 2.50 0.71 -0.07 0.89 2.10 -1.36 0.47 117.51 122.76 2k4k h ILE 37 Ca -0.47 -0.12 0.02 0.00 1.08 0.00 0.00 64.86 65.37 2k4k h ILE 37 Cb 1.20 0.35 -0.00 0.00 -1.09 0.00 0.00 36.82 37.27 2k4k h ILE 37 CO 0.64 0.06 0.13 0.28 -1.08 0.00 0.00 178.15 178.18 2k4k h SER 38 N 0.34 0.00 -0.15 2.19 0.02 -1.92 -2.52 113.55 111.51 2k4k h SER 38 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2k4k h SER 38 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2k4k h SER 38 CO -0.12 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 174.95 2k4k n GLU 39 N -3.45 2.81 0.18 3.45 -0.58 0.15 -4.57 120.64 118.63 2k4k n GLU 39 Ca -0.01 -1.88 0.06 0.00 -0.42 0.00 0.00 57.16 54.90 2k4k n GLU 39 Cb 0.22 -1.20 0.28 0.00 -0.57 0.00 0.00 31.44 30.17 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 0.87 0.81 -2.61 2.62 2.07 -1.42 0.14 116.25 118.73 2k4k h VAL 40 Ca 0.00 -1.61 -0.09 0.00 0.82 0.00 0.00 66.70 65.81 2k4k h VAL 40 Cb 0.69 2.02 -0.20 0.00 -1.52 0.00 0.00 31.29 32.28 2k4k h VAL 40 CO 0.02 0.37 -0.08 -0.89 0.02 0.00 0.00 177.57 177.00 2k4k s THR 41 N -3.45 0.03 -0.17 2.57 2.01 -1.26 -3.55 115.64 111.82 2k4k s THR 41 Ca 0.01 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 2k4k s THR 41 Cb 0.10 -0.78 -0.24 0.00 0.01 0.00 0.00 72.50 71.59 2k4k s THR 41 CO 0.69 -0.15 3.41 0.00 -0.69 0.00 0.00 174.62 177.87 2k4k n HIS 42 N 1.10 0.25 -1.18 4.92 1.44 -1.26 -4.68 115.22 115.82 2k4k n HIS 42 Ca -0.20 -1.60 0.00 0.00 -2.01 0.00 0.00 57.72 53.91 2k4k n HIS 42 Cb 0.56 -1.64 0.00 0.00 0.12 0.00 0.00 29.99 29.04 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 2.64 -1.47 3.69 -1.39 0.00 -1.26 -5.16 105.19 102.25 2k4k n GLY 43 Ca 0.45 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2k4k n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k4k s PHE 44 N -2.36 1.78 -0.16 1.61 0.08 -1.26 -4.96 117.98 112.71 2k4k s PHE 44 Ca 0.00 1.72 0.01 0.00 0.12 0.00 0.00 56.93 58.77 2k4k s PHE 44 Cb 0.00 -3.41 0.02 0.00 -0.57 0.00 0.00 43.02 39.06 2k4k s PHE 44 CO 0.00 -2.77 -0.17 0.08 -0.10 0.00 0.00 175.22 172.26 2k4k s VAL 45 N -2.38 1.76 0.07 -0.44 1.01 -1.26 -4.92 120.40 114.24 2k4k s VAL 45 Ca 0.70 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.68 2k4k s VAL 45 Cb -0.26 -1.62 -0.16 0.00 0.00 0.00 0.00 36.38 34.34 2k4k s VAL 45 CO 0.53 0.49 1.62 0.11 0.00 0.00 0.00 175.10 177.86 2k4k h LYS 46 N 7.97 -0.14 -1.98 2.72 1.57 -1.96 -3.45 116.57 121.30 2k4k h LYS 46 Ca -0.41 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.33 2k4k h LYS 46 Cb 1.14 0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.29 2k4k h LYS 46 CO 0.57 -0.01 0.21 0.34 -0.57 0.00 0.00 179.45 179.99 2k4k s ASP 47 N -5.15 -0.65 0.42 0.86 -1.08 -1.26 -5.03 116.67 104.78 2k4k s ASP 47 Ca -0.14 0.71 0.09 0.00 -0.52 0.00 0.00 52.55 52.69 2k4k s ASP 47 Cb 0.05 0.53 0.93 0.00 -1.46 0.00 0.00 42.92 42.97 2k4k s ASP 47 CO 0.65 -0.60 2.05 -0.29 0.52 0.00 0.00 175.17 177.50 2k4k h ILE 48 N 2.99 1.05 0.00 4.11 2.10 -1.87 -0.85 117.51 125.02 2k4k h ILE 48 Ca -0.27 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.51 2k4k h ILE 48 Cb 1.14 0.53 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 2k4k h ILE 48 CO 0.38 0.09 0.00 0.59 -1.08 0.00 0.00 178.15 178.13 2k4k n ASN 49 N -4.48 0.28 -0.09 2.19 3.02 -1.26 -0.71 115.26 114.22 2k4k n ASN 49 Ca 0.04 0.56 0.12 0.00 -0.03 0.00 0.00 54.58 55.27 2k4k n ASN 49 Cb 0.13 -0.62 0.23 0.00 -0.61 0.00 0.00 39.78 38.91 2k4k n ASN 49 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k4k n GLU 50 N -1.80 0.27 0.00 3.52 -0.58 -0.33 -4.05 120.64 117.67 2k4k n GLU 50 Ca 0.03 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2k4k n GLU 50 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2k4k n GLU 50 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2k4k n HIS 51 N -1.21 0.00 -4.12 -0.32 8.25 -0.58 -4.84 115.22 112.40 2k4k n HIS 51 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 2k4k n HIS 51 Cb 0.34 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 2k4k n HIS 51 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2k4k s LEU 52 N -1.73 1.03 -0.15 2.41 1.43 0.11 -4.75 118.68 117.04 2k4k s LEU 52 Ca 0.00 -1.42 -0.09 0.00 -1.03 0.00 0.00 54.13 51.59 2k4k s LEU 52 Cb 0.00 1.21 0.05 0.00 0.03 0.00 0.00 46.19 47.48 2k4k s LEU 52 CO 0.00 -1.16 0.36 -0.44 0.23 0.00 0.00 176.35 175.34 2k4k s SER 53 N -3.21 -0.43 0.51 2.29 0.01 -1.26 -4.40 113.70 107.21 2k4k s SER 53 Ca 0.32 0.77 -0.21 0.00 1.31 0.00 0.00 55.95 58.14 2k4k s SER 53 Cb 0.01 0.69 -0.06 0.00 0.21 0.00 0.00 66.02 66.87 2k4k s SER 53 CO 0.18 -0.17 1.18 0.54 0.41 0.00 0.00 173.24 175.39 2k4k s VAL 54 N 1.02 2.93 -0.98 3.43 0.11 -1.26 -3.49 120.40 122.15 2k4k s VAL 54 Ca -0.07 0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 2k4k s VAL 54 Cb -0.07 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.48 2k4k s VAL 54 CO -0.08 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.24 2k4k n GLY 55 N 0.40 0.14 3.41 6.54 0.00 -0.15 -4.98 105.19 110.56 2k4k n GLY 55 Ca 0.10 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.57 2.79 -0.14 1.61 2.15 -1.23 -4.86 116.67 114.43 2k4k s ASP 56 Ca 0.00 -1.13 -0.07 0.00 0.43 0.00 0.00 52.55 51.77 2k4k s ASP 56 Cb 0.00 -0.17 -0.04 0.00 -0.30 0.00 0.00 42.92 42.41 2k4k s ASP 56 CO 0.00 -0.27 0.13 -0.70 -0.17 0.00 0.00 175.17 174.16 2k4k s GLU 57 N -3.69 3.59 -0.02 4.34 2.12 -1.26 -0.71 118.70 123.07 2k4k s GLU 57 Ca 0.28 -0.17 -0.07 0.00 0.36 0.00 0.00 54.97 55.38 2k4k s GLU 57 Cb 0.02 -3.22 0.01 0.00 0.26 0.00 0.00 34.13 31.19 2k4k s GLU 57 CO 0.11 0.66 0.15 0.14 -0.54 0.00 0.00 175.26 175.78 2k4k s VAL 58 N -0.70 0.05 0.18 3.70 -7.23 -0.11 -4.97 120.40 111.32 2k4k s VAL 58 Ca 0.13 -0.42 -0.28 0.00 -1.81 0.00 0.00 61.98 59.61 2k4k s VAL 58 Cb -0.12 -0.35 -0.08 0.00 0.56 0.00 0.00 36.38 36.39 2k4k s VAL 58 CO 0.03 -0.23 0.86 -1.10 -0.31 0.00 0.00 175.10 174.34 2k4k s GLN 59 N -0.80 4.69 -0.02 4.82 -0.21 -1.26 -0.97 119.66 125.91 2k4k s GLN 59 Ca -0.09 1.31 0.02 0.00 0.02 0.00 0.00 55.36 56.62 2k4k s GLN 59 Cb -0.05 -3.28 0.01 0.00 1.00 0.00 0.00 33.01 30.68 2k4k s GLN 59 CO 0.01 0.50 -0.05 0.14 -2.12 0.00 0.00 175.29 173.77 2k4k s VAL 60 N -1.00 0.50 -0.15 1.09 -7.23 0.29 -4.76 120.40 109.13 2k4k s VAL 60 Ca 0.39 -0.20 -0.12 0.00 -1.81 0.00 0.00 61.98 60.24 2k4k s VAL 60 Cb -0.24 -0.46 -0.05 0.00 0.56 0.00 0.00 36.38 36.19 2k4k s VAL 60 CO 0.29 0.17 0.24 -0.75 -0.31 0.00 0.00 175.10 174.74 2k4k s LYS 61 N 0.27 4.11 -0.03 4.82 2.20 -0.69 -1.39 119.74 129.04 2k4k s LYS 61 Ca -0.03 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 2k4k s LYS 61 Cb -0.07 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2k4k s LYS 61 CO -0.00 0.36 1.20 0.08 -0.36 0.00 0.00 175.35 176.62 2k4k s VAL 62 N 0.14 4.22 -0.01 4.02 1.01 0.20 -0.83 120.40 129.14 2k4k s VAL 62 Ca 0.15 1.56 0.04 0.00 0.00 0.00 0.00 61.98 63.72 2k4k s VAL 62 Cb -0.13 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 2k4k s VAL 62 CO 0.03 0.03 0.07 0.18 0.00 0.00 0.00 175.10 175.41 2k4k n LEU 63 N 4.92 0.00 -3.71 3.92 7.99 -0.03 -0.97 117.00 129.12 2k4k n LEU 63 Ca 0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.99 2k4k n LEU 63 Cb 0.46 0.01 -0.07 0.00 -0.11 0.00 0.00 43.42 43.72 2k4k n LEU 63 CO 0.55 0.01 0.08 0.00 -1.51 0.00 0.00 177.39 176.52 2k4k s ALA 64 N -2.24 -0.80 -0.00 -1.18 0.00 -0.95 -4.86 121.76 111.72 2k4k s ALA 64 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2k4k s ALA 64 Cb 0.02 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 2k4k s ALA 64 CO 0.16 -0.46 -0.01 0.08 0.00 0.00 0.00 175.76 175.52 2k4k s VAL 65 N -2.74 0.10 -0.29 0.00 1.01 -1.26 -0.90 120.40 116.31 2k4k s VAL 65 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2k4k s VAL 65 Cb -0.00 -0.10 0.12 0.00 0.00 0.00 0.00 36.38 36.40 2k4k s VAL 65 CO -0.04 0.03 0.20 -0.62 0.00 0.00 0.00 175.10 174.66 2k4k s ASP 66 N -0.01 2.82 0.12 3.32 -1.08 -0.19 -4.99 116.67 116.67 2k4k s ASP 66 Ca 0.00 -1.15 0.26 0.00 -0.52 0.00 0.00 52.55 51.14 2k4k s ASP 66 Cb -0.01 -0.04 0.96 0.00 -1.46 0.00 0.00 42.92 42.38 2k4k s ASP 66 CO -0.00 -0.41 1.79 -0.62 0.52 0.00 0.00 175.17 176.44 2k4k n GLU 67 N 5.20 0.14 0.03 4.34 1.02 -1.26 -0.67 120.64 129.44 2k4k n GLU 67 Ca -0.04 0.17 -0.19 0.00 -0.02 0.00 0.00 57.16 57.09 2k4k n GLU 67 Cb 0.43 -1.68 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 2k4k n GLU 67 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k4k h GLU 68 N 0.00 0.30 0.00 3.49 4.39 -1.95 -3.16 114.58 117.64 2k4k h GLU 68 Ca 0.00 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 59.19 2k4k h GLU 68 Cb 0.55 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2k4k h GLU 68 CO 0.00 1.18 -0.29 0.87 -1.16 0.00 0.00 179.01 179.61 2k4k h LYS 69 N -0.36 0.00 -3.76 2.33 1.79 -1.99 -3.47 116.57 111.11 2k4k h LYS 69 Ca -0.11 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.17 2k4k h LYS 69 Cb 1.50 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 32.23 2k4k h LYS 69 CO 0.13 0.29 -0.38 0.41 -1.08 0.00 0.00 179.45 178.82 2k4k n GLY 70 N -0.14 0.08 3.21 3.86 0.00 0.16 -5.06 105.19 107.30 2k4k n GLY 70 Ca -0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.09 0.94 -0.03 1.61 1.02 -0.12 -4.96 119.74 113.11 2k4k s LYS 71 Ca 0.12 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 54.83 2k4k s LYS 71 Cb -0.05 -0.59 0.02 0.00 -0.52 0.00 0.00 37.83 36.68 2k4k s LYS 71 CO 0.38 0.09 0.06 0.42 -0.92 0.00 0.00 175.35 175.37 2k4k s ILE 72 N -2.75 -0.03 -0.12 2.17 1.01 -1.26 -1.02 121.20 119.20 2k4k s ILE 72 Ca 0.10 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.81 2k4k s ILE 72 Cb -0.01 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 2k4k s ILE 72 CO 0.00 0.05 0.11 -0.44 0.00 0.00 0.00 174.94 174.66 2k4k s SER 73 N 0.64 6.13 0.33 3.58 0.01 -0.08 -1.34 113.70 122.97 2k4k s SER 73 Ca -0.05 0.38 0.05 0.00 1.31 0.00 0.00 55.95 57.64 2k4k s SER 73 Cb -0.07 -1.95 -0.07 0.00 0.21 0.00 0.00 66.02 64.14 2k4k s SER 73 CO -0.02 0.39 0.02 -0.76 0.41 0.00 0.00 173.24 173.28 2k4k s LEU 74 N -0.90 2.37 0.01 2.44 1.43 -0.42 -0.85 118.68 122.76 2k4k s LEU 74 Ca 0.14 -1.33 -0.09 0.00 -1.03 0.00 0.00 54.13 51.82 2k4k s LEU 74 Cb -0.12 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.58 2k4k s LEU 74 CO 0.03 -0.52 0.18 -0.44 0.23 0.00 0.00 176.35 175.83 2k4k s SER 75 N -3.51 -0.01 -0.00 2.29 0.01 -0.01 -4.06 113.70 108.41 2k4k s SER 75 Ca 0.35 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.44 2k4k s SER 75 Cb 0.08 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.50 2k4k s SER 75 CO 0.15 -0.42 0.08 -0.38 0.41 0.00 0.00 173.24 173.08 2k4k n ILE 76 N 1.26 0.00 -0.13 1.44 2.08 -0.10 -1.70 119.36 122.21 2k4k n ILE 76 Ca -0.22 -0.13 0.23 0.00 0.56 0.00 0.00 62.75 63.19 2k4k n ILE 76 Cb 0.56 0.53 0.66 0.00 -0.75 0.00 0.00 39.64 40.64 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 0.10 0.00 0.38 0.11 -0.86 0.20 114.38 114.32 2k4k h ARG 77 Ca 0.00 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 2k4k h ARG 77 Cb 0.13 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 2k4k h ARG 77 CO 0.00 0.07 -0.27 0.00 0.10 0.00 0.00 179.97 179.87 2k4k h ALA 78 N 1.63 1.03 -0.00 0.08 0.00 -1.84 -3.36 119.26 116.80 2k4k h ALA 78 Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k4k h ALA 78 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k4k h ALA 78 CO -0.04 0.34 -0.02 0.25 0.00 0.00 0.00 179.25 179.78 2k4k n THR 79 N -3.46 0.00 0.21 0.00 -2.24 0.45 -4.56 114.28 104.69 2k4k n THR 79 Ca -0.00 -0.49 0.14 0.00 -2.27 0.00 0.00 64.05 61.43 2k4k n THR 79 Cb 0.45 1.00 0.76 0.00 -2.10 0.00 0.00 70.33 70.44 2k4k n THR 79 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k4k h GLN 80 N 0.04 0.00 -6.26 -0.78 1.08 -0.97 -3.36 115.11 104.86 2k4k h GLN 80 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 2k4k h GLN 80 Cb 0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2k4k h GLN 80 CO 0.00 0.00 0.98 0.00 -0.95 0.00 0.00 178.83 178.86 2k4k s ALA 81 N -4.85 3.62 -0.54 3.87 0.00 -1.26 -4.29 121.76 118.31 2k4k s ALA 81 Ca -0.05 0.81 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 2k4k s ALA 81 Cb 0.17 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.61 2k4k s ALA 81 CO 0.62 -1.23 0.36 0.00 0.00 0.00 0.00 175.76 175.51 2k4k n ALA 82 N 6.56 -2.01 -1.26 0.00 0.00 -1.26 -4.90 120.51 117.64 2k4k n ALA 82 Ca 0.15 -0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 2k4k n ALA 82 Cb 0.43 -0.71 0.09 0.00 0.00 0.00 0.00 19.45 19.27 2k4k n ALA 82 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2k4k n PRO 83 N -2.20 0.36 0.04 0.00 -0.02 -1.26 -4.91 135.00 127.00 2k4k n PRO 83 Ca -0.15 0.18 0.10 0.00 -2.02 0.00 0.00 63.50 61.61 2k4k n PRO 83 Cb 0.38 -2.12 0.43 0.00 -0.02 0.00 0.00 33.50 32.16 2k4k n PRO 83 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k4k n GLU 84 N -1.73 0.07 -1.64 -0.52 4.07 -1.26 -4.89 120.64 114.74 2k4k n GLU 84 Ca 0.12 0.23 -0.38 0.00 -0.06 0.00 0.00 57.16 57.06 2k4k n GLU 84 Cb 0.50 -1.61 0.05 0.00 -0.06 0.00 0.00 31.44 30.32 2k4k n GLU 84 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2k4k n LYS 85 N -1.73 1.11 0.24 5.31 5.02 -1.26 -4.91 118.16 121.94 2k4k n LYS 85 Ca 0.04 0.42 0.07 0.00 -2.02 0.00 0.00 58.31 56.82 2k4k n LYS 85 Cb 0.25 -2.23 0.58 0.00 -0.02 0.00 0.00 35.03 33.61 2k4k n LYS 85 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2k4k h LYS 86 N 0.80 0.00 -3.23 1.97 1.79 -1.99 -3.37 116.57 112.54 2k4k h LYS 86 Ca -0.48 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 57.58 2k4k h LYS 86 Cb 1.35 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.60 2k4k h LYS 86 CO 0.53 0.12 -0.74 -2.00 -1.08 0.00 0.00 179.45 176.28 2k4k s GLU 87 N -4.71 0.00 0.32 3.15 2.56 -1.26 -5.04 118.70 113.73 2k4k s GLU 87 Ca -0.04 0.19 0.01 0.00 0.00 0.00 0.00 54.97 55.13 2k4k s GLU 87 Cb 0.16 -1.04 0.55 0.00 2.00 0.00 0.00 34.13 35.80 2k4k s GLU 87 CO 0.67 -0.46 1.94 0.77 -0.56 0.00 0.00 175.26 177.62 2k4k h SER 88 N 8.43 0.74 -4.12 -1.70 0.02 -1.91 -3.44 113.55 111.56 2k4k h SER 88 Ca -0.13 -0.06 -0.52 0.00 -0.84 0.00 0.00 61.79 60.23 2k4k h SER 88 Cb 1.13 -0.19 0.11 0.00 0.14 0.00 0.00 62.40 63.59 2k4k h SER 88 CO 0.21 0.61 0.44 -0.54 -1.14 0.00 0.00 176.83 176.41 2k4k s LYS 89 N -5.53 2.90 0.82 3.45 -0.14 -1.26 -5.02 119.74 114.97 2k4k s LYS 89 Ca -0.10 1.73 -0.11 0.00 -1.36 0.00 0.00 55.97 56.13 2k4k s LYS 89 Cb 0.17 -1.93 0.08 0.00 -1.68 0.00 0.00 37.83 34.47 2k4k s LYS 89 CO 0.78 -1.24 1.09 -1.25 -0.76 0.00 0.00 175.35 173.97 2k4k s PRO 90 N -3.49 1.91 0.34 -1.68 0.04 -1.26 -4.97 135.00 125.89 2k4k s PRO 90 Ca 0.75 0.98 0.08 0.00 0.04 0.00 0.00 61.00 62.85 2k4k s PRO 90 Cb -0.28 -1.87 0.62 0.00 0.04 0.00 0.00 34.50 33.01 2k4k s PRO 90 CO 0.35 -1.83 1.81 0.00 0.04 0.00 0.00 177.00 177.37 2k4k h ARG 91 N -1.26 0.24 -4.72 4.56 -0.00 -1.93 -3.45 114.38 107.83 2k4k h ARG 91 Ca -0.46 -0.08 0.00 0.00 -0.50 0.00 0.00 59.98 58.94 2k4k h ARG 91 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.20 2k4k h ARG 91 CO 0.54 0.49 -0.41 1.63 0.00 0.00 0.00 179.97 182.22 2k4k n LYS 92 N -4.15 -1.89 -1.52 0.04 5.02 -1.26 -1.78 118.16 112.61 2k4k n LYS 92 Ca -0.01 1.78 -0.42 0.00 -2.02 0.00 0.00 58.31 57.65 2k4k n LYS 92 Cb 0.37 -4.64 0.01 0.00 -0.02 0.00 0.00 35.03 30.75 2k4k n LYS 92 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2k4k n PRO 93 N -0.27 0.89 -0.66 1.97 -0.02 -1.26 -1.44 135.00 134.21 2k4k n PRO 93 Ca 0.08 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2k4k n PRO 93 Cb 0.32 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2k4k n PRO 93 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k4k n LYS 94 N 0.37 -0.84 -2.74 -0.52 5.02 -1.26 -4.63 118.16 113.57 2k4k n LYS 94 Ca 0.11 0.20 -0.02 0.00 -2.02 0.00 0.00 58.31 56.57 2k4k n LYS 94 Cb 0.39 -4.50 0.09 0.00 -0.02 0.00 0.00 35.03 30.99 2k4k n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k4k n ALA 95 N 0.97 2.66 -1.62 7.82 0.00 -0.83 -5.13 120.51 124.38 2k4k n ALA 95 Ca 0.00 -1.90 -0.53 0.00 0.00 0.00 0.00 53.44 51.01 2k4k n ALA 95 Cb 0.20 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 2k4k n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k n ALA 96 N -0.96 -0.65 -1.00 0.00 0.00 -0.52 -4.73 120.51 112.66 2k4k n ALA 96 Ca -0.04 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 2k4k n ALA 96 Cb 0.84 -2.13 0.24 0.00 0.00 0.00 0.00 19.45 18.40 2k4k n ALA 96 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2k4k s GLN 97 N 1.23 -1.31 0.85 0.00 -0.21 -0.73 -5.01 119.66 114.47 2k4k s GLN 97 Ca 0.87 0.01 -0.13 0.00 0.02 0.00 0.00 55.36 56.13 2k4k s GLN 97 Cb -0.96 -1.58 0.04 0.00 1.00 0.00 0.00 33.01 31.51 2k4k s GLN 97 CO 0.50 -3.79 0.74 1.33 -2.12 0.00 0.00 175.29 171.96 2k4k n VAL 98 N -4.83 1.02 -1.18 1.09 0.24 -1.26 -4.94 118.33 108.47 2k4k n VAL 98 Ca 0.12 -0.23 -0.35 0.00 -2.04 0.00 0.00 64.34 61.85 2k4k n VAL 98 Cb 0.59 -0.85 0.10 0.00 -1.47 0.00 0.00 33.84 32.21 2k4k n VAL 98 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2k4k n SER 99 N -1.92 -0.12 -4.16 -1.34 7.64 -1.26 -5.06 113.62 107.41 2k4k n SER 99 Ca 0.10 0.58 -0.10 0.00 1.01 0.00 0.00 58.87 60.46 2k4k n SER 99 Cb 0.52 -1.36 -0.10 0.00 -1.01 0.00 0.00 64.21 62.25 2k4k n SER 99 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k4k s GLU 100 N -3.47 0.91 0.42 1.43 2.02 -1.26 -5.06 118.70 113.69 2k4k s GLU 100 Ca 0.69 -1.43 0.15 0.00 0.02 0.00 0.00 54.97 54.41 2k4k s GLU 100 Cb -0.31 0.16 0.90 0.00 0.10 0.00 0.00 34.13 34.99 2k4k s GLU 100 CO 0.55 -0.22 1.91 1.49 0.02 0.00 0.00 175.26 179.00 2k4k h GLU 101 N 2.87 0.00 -6.11 1.61 4.81 -2.05 -3.43 114.58 112.29 2k4k h GLU 101 Ca -0.35 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.25 2k4k h GLU 101 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2k4k h GLU 101 CO 0.60 0.28 1.31 0.00 -0.73 0.00 0.00 179.01 180.47 2k4k n ALA 102 N -2.45 1.21 -1.02 2.92 0.00 -1.26 -4.80 120.51 115.12 2k4k n ALA 102 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2k4k n ALA 102 Cb 0.33 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 9.09 0.23 -4.74 0.00 7.64 -1.26 -5.10 113.62 119.48 2k4k n SER 103 Ca 0.30 -1.24 -0.38 0.00 1.01 0.00 0.00 58.87 58.56 2k4k n SER 103 Cb 0.32 -0.03 0.05 0.00 -1.01 0.00 0.00 64.21 63.54 2k4k n SER 103 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k4k s THR 104 N -0.14 2.03 0.20 0.44 2.01 -1.26 -4.89 115.64 114.03 2k4k s THR 104 Ca 0.00 0.02 0.16 0.00 0.31 0.00 0.00 61.69 62.19 2k4k s THR 104 Cb 0.00 -3.01 0.16 0.00 0.01 0.00 0.00 72.50 69.66 2k4k s THR 104 CO 0.00 -0.00 1.40 -0.65 -0.69 0.00 0.00 174.62 174.68 2k4k h PRO 105 N 1.23 0.00 -1.10 4.92 0.11 -2.02 -1.90 132.00 133.24 2k4k h PRO 105 Ca -0.51 0.00 0.32 0.00 0.11 0.00 0.00 66.00 65.92 2k4k h PRO 105 Cb 1.31 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.31 2k4k h PRO 105 CO 0.56 0.00 0.69 0.37 -0.21 0.00 0.00 178.00 179.42 2k4k h GLN 106 N 0.00 0.31 -0.93 1.05 4.15 -1.97 -0.52 115.11 117.21 2k4k h GLN 106 Ca 0.00 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.48 2k4k h GLN 106 Cb 0.70 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.26 2k4k h GLN 106 CO 0.00 0.20 0.60 0.78 -1.93 0.00 0.00 178.83 178.48 2k4k h GLY 107 N 0.32 1.37 0.15 2.39 0.00 -1.67 0.09 103.07 105.72 2k4k h GLY 107 Ca 0.68 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 2k4k h GLY 107 CO -0.39 0.26 -0.00 -2.75 0.00 0.00 0.00 176.54 173.66 2k4k h PHE 108 N 1.01 -0.01 0.00 5.60 3.57 -1.39 -3.36 116.94 122.36 2k4k h PHE 108 Ca 0.41 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2k4k h PHE 108 Cb 0.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2k4k h PHE 108 CO -0.00 0.81 0.00 -0.97 -2.23 0.00 0.00 178.31 175.92 2k4k h ASN 109 N -0.85 0.00 -0.05 0.41 -0.73 -0.62 -1.20 115.58 112.54 2k4k h ASN 109 Ca -0.00 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.18 2k4k h ASN 109 Cb 0.82 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.41 2k4k h ASN 109 CO 0.00 0.00 0.20 0.74 -0.37 0.00 0.00 177.43 178.00 2k4k h THR 110 N 0.00 0.11 -2.01 -3.57 2.02 -1.14 -3.44 112.91 104.88 2k4k h THR 110 Ca 0.00 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.55 2k4k h THR 110 Cb 0.03 0.81 0.05 0.00 -1.74 0.00 0.00 68.15 67.31 2k4k h THR 110 CO 0.00 0.00 0.67 0.00 0.37 0.00 0.00 175.52 176.56 2k4k n LEU 111 N -3.17 2.51 0.06 2.58 -0.00 -0.46 -4.88 117.00 113.64 2k4k n LEU 111 Ca -0.01 1.09 0.12 0.00 -0.00 0.00 0.00 56.01 57.21 2k4k n LEU 111 Cb 0.27 -1.32 0.22 0.00 -0.00 0.00 0.00 43.42 42.59 2k4k n LEU 111 CO 0.19 -0.59 0.43 0.29 -0.00 0.00 0.00 177.39 177.72 2k4k n LYS 112 N 3.23 0.25 -3.72 1.47 5.02 -1.26 -4.90 118.16 118.25 2k4k n LYS 112 Ca 0.18 0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.45 2k4k n LYS 112 Cb 0.24 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 2k4k n LYS 112 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k4k s ASP 113 N -4.09 -0.13 0.32 4.39 2.15 -1.26 -5.10 116.67 112.95 2k4k s ASP 113 Ca 0.07 -0.33 -0.29 0.00 0.43 0.00 0.00 52.55 52.43 2k4k s ASP 113 Cb 0.14 0.41 -0.12 0.00 -0.30 0.00 0.00 42.92 43.05 2k4k s ASP 113 CO 0.70 -0.75 1.45 0.29 -0.17 0.00 0.00 175.17 176.70 2k4k n LYS 114 N 0.08 2.43 -2.08 4.34 4.76 -1.26 -2.54 118.16 123.89 2k4k n LYS 114 Ca -0.17 0.86 -0.14 0.00 -2.87 0.00 0.00 58.31 55.99 2k4k n LYS 114 Cb 0.62 -2.55 -0.03 0.00 -1.84 0.00 0.00 35.03 31.23 2k4k n LYS 114 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2k4k n LEU 115 N 1.32 -1.22 -4.71 -0.35 7.94 -1.26 -4.93 117.00 113.78 2k4k n LEU 115 Ca 0.06 0.22 -0.41 0.00 -1.11 0.00 0.00 56.01 54.77 2k4k n LEU 115 Cb 0.36 -2.24 0.01 0.00 0.53 0.00 0.00 43.42 42.07 2k4k n LEU 115 CO 0.63 -0.35 0.93 1.21 -1.11 0.00 0.00 177.39 178.70 2k4k n GLU 116 N -2.53 2.09 -2.47 1.96 2.13 -1.05 -1.30 120.64 119.46 2k4k n GLU 116 Ca -0.16 0.74 -0.10 0.00 0.66 0.00 0.00 57.16 58.30 2k4k n GLU 116 Cb 0.57 -2.43 -0.00 0.00 0.27 0.00 0.00 31.44 29.85 2k4k n GLU 116 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k4k n GLU 117 N 0.19 -2.41 -2.11 5.31 1.02 -1.26 -1.57 120.64 119.81 2k4k n GLU 117 Ca 0.05 0.47 -0.17 0.00 -0.02 0.00 0.00 57.16 57.50 2k4k n GLU 117 Cb 0.39 -5.06 -0.03 0.00 -0.02 0.00 0.00 31.44 26.72 2k4k n GLU 117 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2k4k n TRP 118 N -3.22 -0.87 -1.70 -0.32 7.02 -0.42 -4.94 117.44 112.99 2k4k n TRP 118 Ca -0.11 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 55.94 2k4k n TRP 118 Cb 0.59 -3.24 -0.03 0.00 -2.42 0.00 0.00 31.31 26.20 2k4k n TRP 118 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 2k4k n ILE 119 N -3.17 0.14 -2.42 -0.99 0.13 -0.61 -4.89 119.36 107.55 2k4k n ILE 119 Ca -0.19 -0.02 -0.38 0.00 -1.10 0.00 0.00 62.75 61.06 2k4k n ILE 119 Cb 0.62 -1.96 -0.03 0.00 -0.84 0.00 0.00 39.64 37.43 2k4k n ILE 119 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 2k4k s GLU 120 N 1.73 3.26 0.61 9.51 2.56 -1.26 -4.52 118.70 130.60 2k4k s GLU 120 Ca 0.78 -0.75 0.31 0.00 0.00 0.00 0.00 54.97 55.31 2k4k s GLU 120 Cb -0.53 -5.12 1.80 0.00 2.00 0.00 0.00 34.13 32.29 2k4k s GLU 120 CO 0.35 -2.50 2.16 0.52 -0.56 0.00 0.00 175.26 175.23 2k4k h MET 121 N 10.39 0.00 0.00 4.30 2.86 -1.98 -0.89 114.93 129.62 2k4k h MET 121 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2k4k h MET 121 Cb 1.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 2k4k h MET 121 CO 1.35 0.00 -0.01 0.77 1.06 0.00 0.00 176.91 180.08 2k4k h SER 122 N 0.00 0.00 -0.51 1.22 0.02 -1.88 -0.82 113.55 111.58 2k4k h SER 122 Ca 0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2k4k h SER 122 Cb 0.34 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2k4k h SER 122 CO -0.00 0.01 0.20 -1.13 -1.14 0.00 0.00 176.83 174.77 2k4k h ASN 123 N 0.00 0.71 -0.18 3.07 -1.24 -1.43 -0.26 115.58 116.25 2k4k h ASN 123 Ca -0.00 -0.18 -0.07 0.00 0.71 0.00 0.00 56.30 56.76 2k4k h ASN 123 Cb 0.09 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 2k4k h ASN 123 CO 0.00 0.69 -0.11 -0.09 -1.29 0.00 0.00 177.43 176.63 2k4k h ARG 124 N 0.69 0.55 0.00 6.67 9.65 -1.33 -1.29 114.38 129.33 2k4k h ARG 124 Ca 0.17 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2k4k h ARG 124 Cb 0.21 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 2k4k h ARG 124 CO -0.01 0.66 0.00 1.63 2.80 0.00 0.00 179.97 185.05 2k4k n LYS 125 N -4.20 0.19 -3.96 0.20 5.02 -0.96 -4.89 118.16 109.56 2k4k n LYS 125 Ca 0.01 0.16 -0.27 0.00 -2.02 0.00 0.00 58.31 56.19 2k4k n LYS 125 Cb 0.33 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 2k4k n LYS 125 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k4k n ASP 126 N -1.30 -1.38 -2.92 4.39 2.03 -0.49 -4.93 116.55 111.96 2k4k n ASP 126 Ca 0.06 -0.96 -0.17 0.00 0.52 0.00 0.00 54.79 54.25 2k4k n ASP 126 Cb 0.12 -3.23 -0.01 0.00 -0.72 0.00 0.00 41.12 37.27 2k4k n ASP 126 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2k4k n LEU 127 N -4.41 1.83 -4.00 -2.67 7.94 -0.15 -5.04 117.00 110.49 2k4k n LEU 127 Ca -0.21 -4.67 -0.10 0.00 -1.11 0.00 0.00 56.01 49.92 2k4k n LEU 127 Cb 0.64 0.36 -0.11 0.00 0.53 0.00 0.00 43.42 44.84 2k4k n LEU 127 CO 0.76 2.05 -0.37 -0.51 -1.11 0.00 0.00 177.39 178.20 2k4k s ILE 128 N -3.19 0.24 0.06 1.96 2.07 -1.26 -4.67 121.20 116.41 2k4k s ILE 128 Ca 0.37 -0.93 -0.16 0.00 -1.41 0.00 0.00 60.65 58.52 2k4k s ILE 128 Cb 0.38 -0.36 0.03 0.00 0.13 0.00 0.00 42.46 42.65 2k4k s ILE 128 CO -0.06 -0.45 0.38 -0.75 -1.91 0.00 0.00 174.94 172.15 2k4k s LYS 129 N -1.45 0.93 0.00 3.50 2.20 -1.26 -5.07 119.74 118.59 2k4k s LYS 129 Ca -0.14 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 2k4k s LYS 129 Cb -0.10 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 2k4k s LYS 129 CO -0.01 -0.33 0.37 1.17 -0.36 0.00 0.00 175.35 176.20