#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 0.40 0.29 -5.12 0.00 -1.26 -5.19 121.76 110.88 2k4k s ALA 2 Ca 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 2k4k s ALA 2 Cb 0.00 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.06 2k4k s ALA 2 CO 0.00 -0.60 0.49 0.00 0.00 0.00 0.00 175.76 175.64 2k4k s ALA 3 N -4.02 0.17 -0.31 0.00 0.00 -1.26 -5.04 121.76 111.30 2k4k s ALA 3 Ca 0.22 -1.15 0.23 0.00 0.00 0.00 0.00 51.96 51.26 2k4k s ALA 3 Cb 0.05 1.08 1.11 0.00 0.00 0.00 0.00 23.12 25.36 2k4k s ALA 3 CO 0.03 -0.83 1.70 1.63 0.00 0.00 0.00 175.76 178.29 2k4k n LYS 4 N -0.46 0.17 -4.19 0.00 5.02 -1.26 -4.72 118.16 112.73 2k4k n LYS 4 Ca -0.01 0.55 -0.11 0.00 -2.02 0.00 0.00 58.31 56.71 2k4k n LYS 4 Cb 0.62 -1.93 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 2k4k n LYS 4 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2k4k s PHE 5 N -3.46 1.02 -0.02 2.13 0.40 -1.26 -5.18 117.98 111.62 2k4k s PHE 5 Ca 0.01 -1.13 -0.11 0.00 -0.60 0.00 0.00 56.93 55.10 2k4k s PHE 5 Cb 0.08 -0.58 0.01 0.00 0.51 0.00 0.00 43.02 43.04 2k4k s PHE 5 CO 0.29 -0.38 0.22 -2.00 0.70 0.00 0.00 175.22 174.06 2k4k s GLU 6 N -3.99 0.53 0.20 0.44 2.12 -1.26 -5.02 118.70 111.72 2k4k s GLU 6 Ca 0.24 -0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.05 2k4k s GLU 6 Cb 0.07 0.23 -0.15 0.00 0.26 0.00 0.00 34.13 34.54 2k4k s GLU 6 CO 0.03 -0.13 1.10 1.33 -0.54 0.00 0.00 175.26 177.05 2k4k n VAL 7 N 1.60 1.21 -0.05 3.70 0.24 -1.26 -2.07 118.33 121.70 2k4k n VAL 7 Ca -0.21 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2k4k n VAL 7 Cb 0.56 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 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 1.81 2.32 3.62 7.63 0.00 -0.37 -5.01 105.19 115.18 2k4k n GLY 8 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.57 2.29 -0.03 1.61 0.01 -0.88 -4.77 113.70 108.37 2k4k s SER 9 Ca 0.00 1.50 -0.00 0.00 1.31 0.00 0.00 55.95 58.76 2k4k s SER 9 Cb 0.00 -2.19 0.03 0.00 0.21 0.00 0.00 66.02 64.07 2k4k s SER 9 CO 0.00 -3.38 0.04 -0.69 0.41 0.00 0.00 173.24 169.62 2k4k s VAL 10 N -2.74 -0.07 0.21 3.43 1.01 -1.26 -0.60 120.40 120.38 2k4k s VAL 10 Ca 0.66 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 2k4k s VAL 10 Cb -0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 2k4k s VAL 10 CO 0.60 0.11 0.20 -0.31 0.00 0.00 0.00 175.10 175.70 2k4k s TYR 11 N 1.30 1.02 0.03 5.22 2.02 -0.57 -5.00 117.35 121.37 2k4k s TYR 11 Ca -0.06 -1.26 0.07 0.00 -0.37 0.00 0.00 57.07 55.44 2k4k s TYR 11 Cb -0.13 -0.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 2k4k s TYR 11 CO -0.03 -0.72 -0.18 0.99 -1.57 0.00 0.00 175.55 174.05 2k4k s THR 12 N -4.11 2.81 0.18 -0.71 2.01 -1.26 -0.66 115.64 113.90 2k4k s THR 12 Ca 0.36 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 2k4k s THR 12 Cb 0.05 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.41 2k4k s THR 12 CO 0.12 0.38 0.32 0.61 -0.69 0.00 0.00 174.62 175.36 2k4k n GLY 13 N 1.67 1.93 3.13 4.40 0.00 -0.12 -4.82 105.19 111.38 2k4k n GLY 13 Ca -0.16 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.17 1.56 -0.05 1.61 1.02 -0.39 -1.00 119.74 120.31 2k4k s LYS 14 Ca 0.10 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 2k4k s LYS 14 Cb -0.02 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.84 2k4k s LYS 14 CO 0.07 0.27 1.29 0.08 -0.92 0.00 0.00 175.35 176.15 2k4k s VAL 15 N -0.10 4.06 -0.61 3.17 1.01 0.14 -0.96 120.40 127.11 2k4k s VAL 15 Ca -0.00 1.38 0.12 0.00 0.00 0.00 0.00 61.98 63.48 2k4k s VAL 15 Cb -0.10 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 2k4k s VAL 15 CO 0.01 -0.02 0.52 0.35 0.00 0.00 0.00 175.10 175.96 2k4k n THR 16 N 4.78 0.00 -3.61 3.92 -2.24 0.14 -1.18 114.28 116.09 2k4k n THR 16 Ca 0.12 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 2k4k n THR 16 Cb 0.45 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 -2.08 -0.35 0.21 3.38 0.00 -1.20 -4.93 107.32 102.35 2k4k s GLY 17 Ca 0.05 1.08 0.10 0.00 0.00 0.00 0.00 44.72 45.95 2k4k s GLY 17 CO 0.48 0.31 -0.19 1.08 0.00 0.00 0.00 173.10 174.77 2k4k s LEU 18 N -2.60 2.51 0.16 0.66 1.43 -1.26 -0.96 118.68 118.62 2k4k s LEU 18 Ca 0.12 -0.95 -0.09 0.00 -1.03 0.00 0.00 54.13 52.18 2k4k s LEU 18 Cb 0.02 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 2k4k s LEU 18 CO -0.04 -0.00 0.29 -1.10 0.23 0.00 0.00 176.35 175.72 2k4k s GLN 19 N -3.15 1.13 0.01 1.70 -0.21 0.19 -4.96 119.66 114.36 2k4k s GLN 19 Ca 0.23 -1.13 0.04 0.00 0.02 0.00 0.00 55.36 54.52 2k4k s GLN 19 Cb -0.05 0.38 0.16 0.00 1.00 0.00 0.00 33.01 34.50 2k4k s GLN 19 CO 0.10 -0.41 1.11 0.00 -2.12 0.00 0.00 175.29 173.97 2k4k n ALA 20 N -0.20 1.14 -0.77 6.09 0.00 -1.26 -2.93 120.51 122.58 2k4k n ALA 20 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k4k n ALA 20 Cb 0.63 -1.06 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 -1.52 0.00 0.00 0.00 4.11 -1.26 -4.98 117.16 113.50 2k4k n TYR 21 Ca 0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 2k4k n TYR 21 Cb 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.37 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 -0.09 -0.75 2.86 -7.48 0.00 -1.15 -0.93 105.19 97.64 2k4k n GLY 22 Ca 0.00 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 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 1.15 0.30 4.61 0.00 -0.08 -0.63 121.76 125.11 2k4k s ALA 23 Ca 0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 51.96 51.23 2k4k s ALA 23 Cb 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 23.12 22.14 2k4k s ALA 23 CO 0.00 -0.47 1.06 -0.06 0.00 0.00 0.00 175.76 176.29 2k4k s PHE 24 N 1.78 3.57 -0.15 0.00 0.08 -0.13 -0.80 117.98 122.33 2k4k s PHE 24 Ca 0.05 1.72 -0.03 0.00 0.12 0.00 0.00 56.93 58.78 2k4k s PHE 24 Cb -0.13 -3.20 0.05 0.00 -0.57 0.00 0.00 43.02 39.17 2k4k s PHE 24 CO -0.07 -0.42 0.05 0.08 -0.10 0.00 0.00 175.22 174.75 2k4k s VAL 25 N -1.28 0.26 0.34 -0.44 1.01 -0.15 -0.68 120.40 119.46 2k4k s VAL 25 Ca 0.47 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 2k4k s VAL 25 Cb -0.29 -0.71 -0.09 0.00 0.00 0.00 0.00 36.38 35.29 2k4k s VAL 25 CO 0.37 -0.09 1.21 0.00 0.00 0.00 0.00 175.10 176.58 2k4k s ALA 26 N 1.99 3.36 0.00 5.51 0.00 -0.13 -1.22 121.76 131.26 2k4k s ALA 26 Ca 0.02 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2k4k s ALA 26 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2k4k s ALA 26 CO -0.07 -0.48 0.00 1.28 0.00 0.00 0.00 175.76 176.49 2k4k n LEU 27 N 0.66 0.23 -3.56 0.00 4.77 -0.08 -1.27 117.00 117.75 2k4k n LEU 27 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 2k4k n LEU 27 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 2k4k n LEU 27 CO 0.55 0.04 0.37 -0.62 -1.33 0.00 0.00 177.39 176.40 2k4k s ASP 28 N -2.94 -0.44 0.45 -1.43 -1.08 -0.95 -4.81 116.67 105.47 2k4k s ASP 28 Ca 0.00 -0.20 0.26 0.00 -0.52 0.00 0.00 52.55 52.09 2k4k s ASP 28 Cb 0.00 0.61 1.43 0.00 -1.46 0.00 0.00 42.92 43.49 2k4k s ASP 28 CO 0.00 -1.03 1.78 -0.33 0.52 0.00 0.00 175.17 176.11 2k4k h GLU 29 N 2.06 0.00 0.00 4.34 4.39 -2.04 -1.77 114.58 121.56 2k4k h GLU 29 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2k4k h GLU 29 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2k4k h GLU 29 CO 0.36 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.60 2k4k n GLU 30 N -2.48 1.14 -3.92 2.33 -0.58 -1.26 -5.09 120.64 110.78 2k4k n GLU 30 Ca -0.02 -0.87 -0.12 0.00 -0.42 0.00 0.00 57.16 55.73 2k4k n GLU 30 Cb 0.15 -0.72 -0.14 0.00 -0.57 0.00 0.00 31.44 30.15 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 -0.40 0.07 0.05 2.62 2.01 -0.67 -5.11 115.64 114.22 2k4k s THR 31 Ca 0.00 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 61.77 2k4k s THR 31 Cb 0.00 -0.09 0.01 0.00 0.01 0.00 0.00 72.50 72.43 2k4k s THR 31 CO 0.00 -0.04 0.21 -1.58 -0.69 0.00 0.00 174.62 172.53 2k4k s GLN 32 N -0.17 0.74 0.33 4.92 0.74 -1.26 -0.90 119.66 124.06 2k4k s GLN 32 Ca -0.01 -0.67 0.07 0.00 0.05 0.00 0.00 55.36 54.80 2k4k s GLN 32 Cb -0.01 0.31 -0.03 0.00 1.10 0.00 0.00 33.01 34.38 2k4k s GLN 32 CO -0.00 -0.22 0.26 0.41 -0.55 0.00 0.00 175.29 175.19 2k4k n GLY 33 N 0.52 2.96 2.89 2.59 0.00 -0.36 -3.95 105.19 109.85 2k4k n GLY 33 Ca -0.18 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.65 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 1.74 -0.10 0.99 2.96 -0.61 -0.98 118.68 122.68 2k4k s LEU 34 Ca 0.37 -0.76 -0.29 0.00 -0.22 0.00 0.00 54.13 53.23 2k4k s LEU 34 Cb 0.02 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 2k4k s LEU 34 CO 0.26 -0.20 1.50 -0.69 -1.32 0.00 0.00 176.35 175.90 2k4k s VAL 35 N 1.61 3.86 0.40 1.68 1.01 0.02 -0.97 120.40 128.00 2k4k s VAL 35 Ca -0.01 1.04 -0.24 0.00 0.00 0.00 0.00 61.98 62.77 2k4k s VAL 35 Cb -0.16 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 2k4k s VAL 35 CO -0.07 -0.09 1.02 -2.28 0.00 0.00 0.00 175.10 173.67 2k4k s HIS 36 N 3.84 3.31 0.42 5.22 2.46 -1.23 -0.90 115.29 128.40 2k4k s HIS 36 Ca 0.66 1.65 0.18 0.00 0.47 0.00 0.00 55.06 58.03 2k4k s HIS 36 Cb -0.29 -3.06 1.10 0.00 -0.13 0.00 0.00 32.58 30.20 2k4k s HIS 36 CO 0.24 -0.46 1.86 0.97 -2.47 0.00 0.00 174.74 174.88 2k4k h ILE 37 N 2.16 0.68 0.00 0.89 2.10 -1.38 0.22 117.51 122.18 2k4k h ILE 37 Ca -0.48 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.32 2k4k h ILE 37 Cb 1.21 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 2k4k h ILE 37 CO 0.62 0.07 0.02 -1.20 -1.08 0.00 0.00 178.15 176.58 2k4k n SER 38 N -4.50 0.42 0.00 2.19 7.64 -1.26 -1.84 113.62 116.27 2k4k n SER 38 Ca 0.19 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2k4k n SER 38 Cb 0.70 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.08 1.52 0.08 1.43 -0.58 0.06 -4.67 120.64 116.40 2k4k n GLU 39 Ca -0.01 -1.06 -0.15 0.00 -0.42 0.00 0.00 57.16 55.52 2k4k n GLU 39 Cb 0.05 -0.90 -0.08 0.00 -0.57 0.00 0.00 31.44 29.93 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 0.47 1.41 -2.55 2.62 2.07 -1.28 0.15 116.25 119.14 2k4k h VAL 40 Ca 0.00 -2.63 -0.10 0.00 0.82 0.00 0.00 66.70 64.80 2k4k h VAL 40 Cb 0.46 2.62 -0.22 0.00 -1.52 0.00 0.00 31.29 32.63 2k4k h VAL 40 CO 0.00 0.78 -0.10 -0.89 0.02 0.00 0.00 177.57 177.38 2k4k s THR 41 N -3.04 0.01 0.14 2.57 2.01 -1.26 -3.78 115.64 112.30 2k4k s THR 41 Ca -0.06 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 2k4k s THR 41 Cb 0.08 -0.74 -0.14 0.00 0.01 0.00 0.00 72.50 71.71 2k4k s THR 41 CO 0.88 -0.07 1.36 -0.74 -0.69 0.00 0.00 174.62 175.37 2k4k h HIS 42 N 4.51 0.69 -4.20 4.92 2.76 -1.90 -3.44 115.15 118.49 2k4k h HIS 42 Ca -0.28 -0.33 -0.45 0.00 -2.20 0.00 0.00 60.37 57.11 2k4k h HIS 42 Cb 1.17 -0.10 0.14 0.00 1.55 0.00 0.00 27.41 30.17 2k4k h HIS 42 CO 0.43 1.12 0.34 0.20 -1.30 0.00 0.00 177.93 178.72 2k4k s GLY 43 N -4.30 1.64 -0.31 5.26 0.00 -1.26 -4.95 107.32 103.39 2k4k s GLY 43 Ca -0.07 -0.79 -0.28 0.00 0.00 0.00 0.00 44.72 43.59 2k4k s GLY 43 CO 0.86 -0.15 2.17 -0.12 0.00 0.00 0.00 173.10 175.86 2k4k s PHE 44 N -3.49 1.27 -1.13 1.90 5.36 -1.26 -4.89 117.98 115.75 2k4k s PHE 44 Ca 0.67 0.78 -0.22 0.00 -0.96 0.00 0.00 56.93 57.19 2k4k s PHE 44 Cb -0.10 -3.90 -0.05 0.00 -0.34 0.00 0.00 43.02 38.63 2k4k s PHE 44 CO 0.52 -3.50 1.88 0.54 -1.46 0.00 0.00 175.22 173.20 2k4k s VAL 45 N 8.91 3.63 0.51 3.12 0.11 -1.26 -4.82 120.40 130.59 2k4k s VAL 45 Ca 0.95 -0.93 0.19 0.00 -2.93 0.00 0.00 61.98 59.27 2k4k s VAL 45 Cb -0.27 -4.56 0.33 0.00 -1.53 0.00 0.00 36.38 30.35 2k4k s VAL 45 CO 0.32 -1.18 2.06 0.07 -3.33 0.00 0.00 175.10 173.04 2k4k h LYS 46 N 9.79 0.07 -2.33 1.54 2.10 -2.00 -3.38 116.57 122.36 2k4k h LYS 46 Ca 0.22 -0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.77 2k4k h LYS 46 Cb 0.95 -0.02 -0.28 0.00 -0.90 0.00 0.00 32.23 31.99 2k4k h LYS 46 CO 1.27 0.05 -0.39 0.34 -2.00 0.00 0.00 179.45 178.72 2k4k s ASP 47 N -6.59 -0.20 0.41 7.07 -1.08 -1.26 -5.04 116.67 109.98 2k4k s ASP 47 Ca -0.05 0.84 0.15 0.00 -0.52 0.00 0.00 52.55 52.96 2k4k s ASP 47 Cb 0.18 1.34 1.02 0.00 -1.46 0.00 0.00 42.92 44.00 2k4k s ASP 47 CO 0.71 -0.25 1.88 -0.29 0.52 0.00 0.00 175.17 177.74 2k4k h ILE 48 N 6.17 0.75 0.00 4.11 2.10 -1.93 -1.35 117.51 127.37 2k4k h ILE 48 Ca -0.17 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.61 2k4k h ILE 48 Cb 1.12 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.09 2k4k h ILE 48 CO 0.16 0.09 0.00 0.59 -1.08 0.00 0.00 178.15 177.90 2k4k n ASN 49 N -4.51 0.00 -0.30 2.19 3.02 -1.26 -0.65 115.26 113.75 2k4k n ASN 49 Ca 0.17 0.19 0.04 0.00 -0.03 0.00 0.00 54.58 54.95 2k4k n ASN 49 Cb 0.59 -0.32 0.04 0.00 -0.61 0.00 0.00 39.78 39.48 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 -1.32 0.43 0.00 3.52 -0.58 -0.51 -4.61 120.64 117.57 2k4k n GLU 50 Ca 0.05 -1.06 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 2k4k n GLU 50 Cb 0.09 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 0.36 0.00 -4.13 -0.32 8.25 -0.58 -5.03 115.22 113.77 2k4k n HIS 51 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.39 2k4k n HIS 51 Cb 0.20 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.46 0.90 -0.27 2.41 1.98 0.18 -4.99 118.68 117.43 2k4k s LEU 52 Ca 0.00 -1.27 -0.14 0.00 -2.89 0.00 0.00 54.13 49.83 2k4k s LEU 52 Cb 0.00 0.96 0.09 0.00 0.66 0.00 0.00 46.19 47.90 2k4k s LEU 52 CO 0.00 -1.00 0.63 -0.44 -1.89 0.00 0.00 176.35 173.65 2k4k s SER 53 N -3.13 -0.90 0.61 3.68 0.01 -1.26 -4.38 113.70 108.32 2k4k s SER 53 Ca 0.33 1.43 -0.18 0.00 1.31 0.00 0.00 55.95 58.83 2k4k s SER 53 Cb 0.03 1.48 -0.03 0.00 0.21 0.00 0.00 66.02 67.72 2k4k s SER 53 CO 0.13 -0.23 1.23 0.54 0.41 0.00 0.00 173.24 175.32 2k4k s VAL 54 N 1.88 2.45 -0.74 3.43 0.11 -1.26 -3.78 120.40 122.50 2k4k s VAL 54 Ca -0.09 0.28 -0.01 0.00 -2.93 0.00 0.00 61.98 59.23 2k4k s VAL 54 Cb -0.07 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 2k4k s VAL 54 CO -0.19 -0.06 0.19 0.61 -3.33 0.00 0.00 175.10 172.32 2k4k n GLY 55 N 0.61 0.09 3.29 6.54 0.00 -0.33 -4.99 105.19 110.40 2k4k n GLY 55 Ca 0.14 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.77 1.99 -0.06 1.61 2.15 -1.25 -4.95 116.67 113.39 2k4k s ASP 56 Ca 0.09 -1.06 -0.14 0.00 0.43 0.00 0.00 52.55 51.87 2k4k s ASP 56 Cb -0.04 -0.04 -0.05 0.00 -0.30 0.00 0.00 42.92 42.49 2k4k s ASP 56 CO 0.12 -0.34 0.35 -0.70 -0.17 0.00 0.00 175.17 174.43 2k4k s GLU 57 N -3.75 3.94 0.02 4.34 2.12 -1.26 -0.68 118.70 123.43 2k4k s GLU 57 Ca 0.21 0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.77 2k4k s GLU 57 Cb 0.03 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 2k4k s GLU 57 CO 0.04 0.57 0.07 0.14 -0.54 0.00 0.00 175.26 175.54 2k4k s VAL 58 N -0.63 0.11 -0.18 3.70 -7.23 -0.17 -4.97 120.40 111.02 2k4k s VAL 58 Ca 0.21 -0.88 -0.07 0.00 -1.81 0.00 0.00 61.98 59.43 2k4k s VAL 58 Cb -0.15 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 2k4k s VAL 58 CO 0.10 -0.48 0.06 -1.58 -0.31 0.00 0.00 175.10 172.89 2k4k s GLN 59 N -1.72 3.95 0.05 4.82 0.74 -1.26 -0.95 119.66 125.30 2k4k s GLN 59 Ca -0.13 -0.33 0.07 0.00 0.05 0.00 0.00 55.36 55.01 2k4k s GLN 59 Cb -0.07 -3.21 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 2k4k s GLN 59 CO -0.01 0.30 -0.18 0.14 -0.55 0.00 0.00 175.29 174.99 2k4k s VAL 60 N 0.30 1.46 -0.06 1.34 -7.23 0.16 -4.76 120.40 111.61 2k4k s VAL 60 Ca 0.04 -1.20 -0.14 0.00 -1.81 0.00 0.00 61.98 58.87 2k4k s VAL 60 Cb -0.12 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 2k4k s VAL 60 CO 0.00 0.06 0.35 -0.75 -0.31 0.00 0.00 175.10 174.45 2k4k s LYS 61 N -1.34 3.93 -0.25 4.82 2.20 -0.54 -1.51 119.74 127.05 2k4k s LYS 61 Ca 0.05 0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.64 2k4k s LYS 61 Cb -0.09 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2k4k s LYS 61 CO 0.02 0.59 1.69 0.08 -0.36 0.00 0.00 175.35 177.37 2k4k s VAL 62 N -0.67 3.60 -0.09 4.02 1.01 0.23 -1.10 120.40 127.40 2k4k s VAL 62 Ca 0.21 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.69 2k4k s VAL 62 Cb -0.15 -3.67 -0.28 0.00 0.00 0.00 0.00 36.38 32.27 2k4k s VAL 62 CO 0.10 -0.33 0.62 0.25 0.00 0.00 0.00 175.10 175.74 2k4k h LEU 63 N 12.38 0.43 -7.33 3.92 5.85 -1.24 -0.99 115.31 128.33 2k4k h LEU 63 Ca -0.34 -0.88 -0.05 0.00 0.84 0.00 0.00 57.88 57.45 2k4k h LEU 63 Cb 1.16 -0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.92 2k4k h LEU 63 CO 1.01 1.61 -0.03 0.00 -0.34 0.00 0.00 178.44 180.69 2k4k s ALA 64 N -2.48 -1.04 -0.01 1.25 0.00 -0.95 -4.75 121.76 113.77 2k4k s ALA 64 Ca -0.18 0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2k4k s ALA 64 Cb 0.04 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 2k4k s ALA 64 CO 0.79 -0.64 -0.09 0.08 0.00 0.00 0.00 175.76 175.89 2k4k s VAL 65 N -3.67 0.76 -0.37 0.00 1.01 -1.26 -1.08 120.40 115.79 2k4k s VAL 65 Ca 0.02 -0.39 0.13 0.00 0.00 0.00 0.00 61.98 61.73 2k4k s VAL 65 Cb 0.01 -0.65 0.37 0.00 0.00 0.00 0.00 36.38 36.12 2k4k s VAL 65 CO -0.11 0.22 0.81 -0.67 0.00 0.00 0.00 175.10 175.35 2k4k n ASP 66 N 2.98 0.71 0.30 3.32 2.03 -0.06 -4.95 116.55 120.88 2k4k n ASP 66 Ca -0.15 -2.98 0.20 0.00 0.52 0.00 0.00 54.79 52.38 2k4k n ASP 66 Cb 0.56 -0.41 1.05 0.00 -0.72 0.00 0.00 41.12 41.60 2k4k n ASP 66 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2k4k h GLU 67 N 2.98 0.00 -0.82 -0.67 4.57 -1.92 0.13 114.58 118.85 2k4k h GLU 67 Ca 0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2k4k h GLU 67 Cb 1.03 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 2k4k h GLU 67 CO 0.47 0.00 0.47 0.93 -1.18 0.00 0.00 179.01 179.70 2k4k h GLU 68 N 0.00 1.12 0.01 1.92 5.08 -1.92 -2.87 114.58 117.92 2k4k h GLU 68 Ca 0.00 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 2k4k h GLU 68 Cb 0.07 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2k4k h GLU 68 CO 0.00 0.80 -0.50 -0.22 -1.00 0.00 0.00 179.01 178.09 2k4k h LYS 69 N 1.14 0.03 0.00 2.33 3.11 -1.82 -3.49 116.57 117.86 2k4k h LYS 69 Ca 0.29 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.08 2k4k h LYS 69 Cb -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2k4k h LYS 69 CO -0.05 1.02 0.00 0.41 -2.81 0.00 0.00 179.45 178.02 2k4k n GLY 70 N 1.57 1.36 3.34 5.01 0.00 0.36 -5.15 105.19 111.68 2k4k n GLY 70 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2k4k n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4k s LYS 71 N -0.03 1.51 0.01 1.61 -2.85 -0.67 -4.93 119.74 114.38 2k4k s LYS 71 Ca 0.00 -1.84 -0.00 0.00 -1.00 0.00 0.00 55.97 53.13 2k4k s LYS 71 Cb 0.00 -0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 35.47 2k4k s LYS 71 CO 0.00 -0.34 -0.00 0.42 0.10 0.00 0.00 175.35 175.53 2k4k s ILE 72 N -3.65 0.06 0.11 3.79 1.01 -1.25 -0.88 121.20 120.39 2k4k s ILE 72 Ca 0.36 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.58 2k4k s ILE 72 Cb 0.07 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.34 2k4k s ILE 72 CO 0.15 -0.27 -0.04 -0.44 0.00 0.00 0.00 174.94 174.34 2k4k s SER 73 N -0.80 4.73 0.20 3.58 0.01 -0.24 -1.57 113.70 119.61 2k4k s SER 73 Ca -0.09 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 56.89 2k4k s SER 73 Cb -0.05 -1.02 -0.05 0.00 0.21 0.00 0.00 66.02 65.11 2k4k s SER 73 CO -0.00 0.16 0.04 -0.76 0.41 0.00 0.00 173.24 173.09 2k4k s LEU 74 N -2.35 1.93 0.03 2.44 1.43 -0.15 -0.79 118.68 121.21 2k4k s LEU 74 Ca 0.24 -1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.08 2k4k s LEU 74 Cb -0.11 -0.00 -0.02 0.00 0.03 0.00 0.00 46.19 46.08 2k4k s LEU 74 CO 0.16 -0.63 -0.01 -0.94 0.23 0.00 0.00 176.35 175.17 2k4k s SER 75 N -3.21 0.28 0.00 2.29 1.04 -0.26 -3.56 113.70 110.28 2k4k s SER 75 Ca 0.29 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2k4k s SER 75 Cb 0.07 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2k4k s SER 75 CO 0.07 -0.40 0.00 -0.38 0.98 0.00 0.00 173.24 173.51 2k4k n ILE 76 N 1.14 0.00 0.15 -1.02 2.08 -0.12 -1.47 119.36 120.12 2k4k n ILE 76 Ca -0.21 0.00 0.16 0.00 0.56 0.00 0.00 62.75 63.26 2k4k n ILE 76 Cb 0.57 -0.46 0.74 0.00 -0.75 0.00 0.00 39.64 39.74 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 -0.53 0.38 0.11 -0.89 0.50 114.38 113.95 2k4k h ARG 77 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2k4k h ARG 77 Cb 0.57 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 2k4k h ARG 77 CO 0.00 0.00 0.25 0.00 0.10 0.00 0.00 179.97 180.32 2k4k h ALA 78 N 1.81 0.69 0.05 0.08 0.00 -1.82 -2.75 119.26 117.32 2k4k h ALA 78 Ca 0.12 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 2k4k h ALA 78 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2k4k h ALA 78 CO -0.00 0.25 -1.63 1.79 0.00 0.00 0.00 179.25 179.66 2k4k h THR 79 N 0.71 0.99 0.00 0.00 1.35 -1.42 -3.25 112.91 111.29 2k4k h THR 79 Ca 0.18 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 2k4k h THR 79 Cb 0.12 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 2k4k h THR 79 CO -0.02 0.69 0.00 0.00 -0.25 0.00 0.00 175.52 175.93 2k4k n GLN 80 N -3.24 0.91 0.00 4.72 6.02 0.03 -4.22 117.38 121.59 2k4k n GLN 80 Ca -0.17 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.87 2k4k n GLN 80 Cb 1.04 -1.01 0.21 0.00 1.02 0.00 0.00 30.24 31.50 2k4k n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k4k n ALA 81 N -0.51 1.50 -1.18 -1.58 0.00 -1.04 -4.81 120.51 112.89 2k4k n ALA 81 Ca 0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 2k4k n ALA 81 Cb 0.00 -1.15 0.09 0.00 0.00 0.00 0.00 19.45 18.39 2k4k n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k n ALA 82 N -1.41 -1.19 0.00 0.00 0.00 -1.26 -4.90 120.51 111.76 2k4k n ALA 82 Ca 0.03 -0.30 0.21 0.00 0.00 0.00 0.00 53.44 53.38 2k4k n ALA 82 Cb 0.09 -1.96 0.71 0.00 0.00 0.00 0.00 19.45 18.30 2k4k n ALA 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k4k h PRO 83 N -0.62 0.00 -3.56 0.00 0.11 -2.00 -3.42 132.00 122.51 2k4k h PRO 83 Ca -0.46 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 2k4k h PRO 83 Cb 1.33 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.27 2k4k h PRO 83 CO 0.43 0.00 -0.35 -2.00 -0.21 0.00 0.00 178.00 175.87 2k4k s GLU 84 N -4.92 0.76 0.00 1.05 2.56 -1.26 -5.07 118.70 111.82 2k4k s GLU 84 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 54.97 54.24 2k4k s GLU 84 Cb 0.19 0.32 0.00 0.00 2.00 0.00 0.00 34.13 36.64 2k4k s GLU 84 CO 0.70 -0.23 0.10 0.36 -0.56 0.00 0.00 175.26 175.63 2k4k n LYS 85 N 0.47 4.02 -1.08 4.30 -0.00 -1.26 -5.03 118.16 119.57 2k4k n LYS 85 Ca -0.18 -0.10 -0.34 0.00 -0.00 0.00 0.00 58.31 57.69 2k4k n LYS 85 Cb 0.60 -0.54 0.11 0.00 -0.00 0.00 0.00 35.03 35.20 2k4k n LYS 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2k4k n LYS 86 N -0.60 0.11 -4.07 -1.58 4.81 -1.26 -5.06 118.16 110.51 2k4k n LYS 86 Ca 0.00 0.10 -0.07 0.00 -0.87 0.00 0.00 58.31 57.46 2k4k n LYS 86 Cb 0.01 -2.12 -0.10 0.00 0.02 0.00 0.00 35.03 32.84 2k4k n LYS 86 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2k4k s GLU 87 N -3.59 0.57 0.00 1.64 2.12 -1.26 -5.05 118.70 113.13 2k4k s GLU 87 Ca 0.67 -1.12 0.02 0.00 0.36 0.00 0.00 54.97 54.90 2k4k s GLU 87 Cb -0.29 0.20 0.13 0.00 0.26 0.00 0.00 34.13 34.42 2k4k s GLU 87 CO 0.57 -0.11 0.53 0.43 -0.54 0.00 0.00 175.26 176.14 2k4k n SER 88 N 0.33 0.00 -3.93 -1.70 7.64 -1.26 -4.61 113.62 110.08 2k4k n SER 88 Ca -0.16 -0.72 -0.10 0.00 1.01 0.00 0.00 58.87 58.90 2k4k n SER 88 Cb 0.60 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 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 -2.00 0.39 1.10 1.43 -0.14 -1.26 -5.18 119.74 114.08 2k4k s LYS 89 Ca 0.03 -0.52 -0.16 0.00 -1.36 0.00 0.00 55.97 53.97 2k4k s LYS 89 Cb 0.01 0.15 0.24 0.00 -1.68 0.00 0.00 37.83 36.55 2k4k s LYS 89 CO 0.02 -0.08 1.10 -1.25 -0.76 0.00 0.00 175.35 174.39 2k4k s PRO 90 N -1.43 -0.43 0.29 -1.68 0.04 -1.26 -4.95 135.00 125.58 2k4k s PRO 90 Ca -0.15 0.22 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 2k4k s PRO 90 Cb -0.09 -1.66 0.46 0.00 0.04 0.00 0.00 34.50 33.25 2k4k s PRO 90 CO 0.00 -3.24 1.93 -0.09 0.04 0.00 0.00 177.00 175.64 2k4k h ARG 91 N -2.25 1.08 -6.95 4.56 2.43 -2.02 -3.44 114.38 107.79 2k4k h ARG 91 Ca -0.50 -0.06 -0.56 0.00 -0.81 0.00 0.00 59.98 58.04 2k4k h ARG 91 Cb 1.32 -0.24 0.14 0.00 -0.42 0.00 0.00 29.97 30.76 2k4k h ARG 91 CO 0.46 0.71 0.51 1.63 -1.51 0.00 0.00 179.97 181.78 2k4k n LYS 92 N -4.45 1.70 -1.36 0.20 4.76 -1.26 -4.97 118.16 112.78 2k4k n LYS 92 Ca 0.12 0.62 -0.37 0.00 -2.87 0.00 0.00 58.31 55.82 2k4k n LYS 92 Cb 0.12 -2.47 0.07 0.00 -1.84 0.00 0.00 35.03 30.91 2k4k n LYS 92 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2k4k n PRO 93 N -0.64 0.45 0.22 1.97 -0.02 -1.26 -4.92 135.00 130.80 2k4k n PRO 93 Ca 0.09 0.20 0.08 0.00 -2.02 0.00 0.00 63.50 61.85 2k4k n PRO 93 Cb 0.43 -1.94 0.52 0.00 -0.02 0.00 0.00 33.50 32.49 2k4k n PRO 93 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2k4k h LYS 94 N -0.14 0.00 -7.22 -0.52 1.57 -1.93 -3.45 116.57 104.88 2k4k h LYS 94 Ca -0.46 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.81 2k4k h LYS 94 Cb 1.36 0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.87 2k4k h LYS 94 CO 0.45 0.24 0.14 0.00 -0.57 0.00 0.00 179.45 179.72 2k4k n ALA 95 N -2.36 -1.27 -2.74 3.86 0.00 -1.26 -5.08 120.51 111.66 2k4k n ALA 95 Ca -0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 53.44 52.65 2k4k n ALA 95 Cb 0.34 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 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 -2.59 0.18 0.38 0.00 0.00 -1.26 -5.15 121.76 113.32 2k4k s ALA 96 Ca 0.67 -1.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.30 2k4k s ALA 96 Cb -0.23 1.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.80 2k4k s ALA 96 CO 0.60 -0.69 1.36 0.94 0.00 0.00 0.00 175.76 177.97 2k4k n GLN 97 N -0.27 2.29 0.00 0.00 7.27 -1.26 -4.91 117.38 120.49 2k4k n GLN 97 Ca -0.04 0.80 0.00 0.00 0.07 0.00 0.00 57.00 57.84 2k4k n GLN 97 Cb 0.63 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 30.81 2k4k n GLN 97 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2k4k n VAL 98 N 0.22 0.00 -0.16 1.69 3.14 -1.26 -4.84 118.33 117.12 2k4k n VAL 98 Ca 0.04 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.46 2k4k n VAL 98 Cb 0.38 0.05 0.34 0.00 -1.06 0.00 0.00 33.84 33.55 2k4k n VAL 98 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2k4k h SER 99 N 0.00 0.67 -3.78 6.55 0.02 -2.02 -3.40 113.55 111.59 2k4k h SER 99 Ca 0.00 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.75 2k4k h SER 99 Cb 0.00 -0.15 -0.27 0.00 0.14 0.00 0.00 62.40 62.12 2k4k h SER 99 CO 0.00 0.46 -0.54 -1.61 -1.14 0.00 0.00 176.83 174.00 2k4k s GLU 100 N -5.68 0.18 0.35 3.45 0.41 -1.26 -5.06 118.70 111.09 2k4k s GLU 100 Ca -0.10 0.21 0.04 0.00 -0.41 0.00 0.00 54.97 54.71 2k4k s GLU 100 Cb 0.19 0.08 0.64 0.00 -1.78 0.00 0.00 34.13 33.26 2k4k s GLU 100 CO 0.77 -0.02 1.94 1.49 -0.49 0.00 0.00 175.26 178.94 2k4k h GLU 101 N 5.92 0.63 -3.08 1.61 4.57 -1.89 -3.41 114.58 118.95 2k4k h GLU 101 Ca -0.25 -0.09 -0.19 0.00 -1.18 0.00 0.00 59.36 57.65 2k4k h GLU 101 Cb 1.20 -0.12 -0.28 0.00 -0.16 0.00 0.00 28.75 29.39 2k4k h GLU 101 CO 0.41 0.53 -0.47 0.00 -1.18 0.00 0.00 179.01 178.30 2k4k s ALA 102 N -5.28 -0.56 0.85 2.92 0.00 -1.26 -5.00 121.76 113.43 2k4k s ALA 102 Ca -0.09 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 52.66 2k4k s ALA 102 Cb 0.16 -0.55 0.11 0.00 0.00 0.00 0.00 23.12 22.84 2k4k s ALA 102 CO 0.76 -0.17 1.12 -1.12 0.00 0.00 0.00 175.76 176.35 2k4k s SER 103 N 0.89 3.61 0.82 0.00 0.01 -1.26 -5.01 113.70 112.76 2k4k s SER 103 Ca -0.06 2.03 -0.11 0.00 1.31 0.00 0.00 55.95 59.11 2k4k s SER 103 Cb -0.08 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.70 2k4k s SER 103 CO -0.06 -2.64 1.14 0.42 0.41 0.00 0.00 173.24 172.52 2k4k s THR 104 N -2.76 2.56 0.56 1.44 -4.23 -1.26 -4.78 115.64 107.16 2k4k s THR 104 Ca 0.64 0.20 -0.19 0.00 -1.18 0.00 0.00 61.69 61.17 2k4k s THR 104 Cb -0.20 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.06 2k4k s THR 104 CO 0.57 -0.21 0.73 -2.65 -0.54 0.00 0.00 174.62 172.52 2k4k n PRO 105 N -3.60 0.72 -2.27 3.99 -0.02 -1.26 -2.38 135.00 130.19 2k4k n PRO 105 Ca 0.11 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 2k4k n PRO 105 Cb 0.52 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 2k4k n PRO 105 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2k4k n GLN 106 N -0.37 -2.04 -1.06 -0.52 6.02 -1.26 -4.75 117.38 113.40 2k4k n GLN 106 Ca 0.12 0.65 -0.06 0.00 -0.01 0.00 0.00 57.00 57.70 2k4k n GLN 106 Cb 0.46 -5.20 -0.06 0.00 1.02 0.00 0.00 30.24 26.47 2k4k n GLN 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k4k n GLY 107 N -0.73 0.56 3.65 1.08 0.00 -1.00 -5.14 105.19 103.61 2k4k n GLY 107 Ca -0.15 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 0.03 1.06 -3.68 1.61 7.35 -1.21 -4.35 117.46 118.26 2k4k n PHE 108 Ca -0.25 0.41 -0.18 0.00 -0.76 0.00 0.00 57.45 56.67 2k4k n PHE 108 Cb 0.74 -2.14 -0.17 0.00 0.35 0.00 0.00 39.48 38.27 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 -1.58 0.80 0.37 -2.13 2.47 -1.26 -5.06 114.94 108.55 2k4k s ASN 109 Ca 0.76 0.19 -0.28 0.00 0.42 0.00 0.00 52.86 53.95 2k4k s ASN 109 Cb -0.36 0.05 -0.11 0.00 -1.45 0.00 0.00 41.25 39.39 2k4k s ASN 109 CO 0.47 -0.23 1.50 0.41 -3.72 0.00 0.00 177.10 175.53 2k4k n THR 110 N 5.14 1.92 -3.70 -5.21 -1.04 -1.26 -4.87 114.28 105.26 2k4k n THR 110 Ca -0.07 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.05 61.32 2k4k n THR 110 Cb 0.50 -1.98 -0.09 0.00 -1.82 0.00 0.00 70.33 66.94 2k4k n THR 110 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2k4k s LEU 111 N -1.95 0.09 -0.06 -4.42 2.96 -1.26 -5.07 118.68 108.96 2k4k s LEU 111 Ca 0.54 1.01 -0.15 0.00 -0.22 0.00 0.00 54.13 55.30 2k4k s LEU 111 Cb -0.48 1.71 0.03 0.00 0.50 0.00 0.00 46.19 47.96 2k4k s LEU 111 CO 0.63 -0.17 0.36 -0.75 -1.32 0.00 0.00 176.35 175.09 2k4k s LYS 112 N 0.29 0.61 -0.01 1.98 2.20 -1.26 -5.18 119.74 118.37 2k4k s LYS 112 Ca -0.00 0.10 -0.26 0.00 -0.36 0.00 0.00 55.97 55.44 2k4k s LYS 112 Cb -0.04 0.28 0.06 0.00 -1.51 0.00 0.00 37.83 36.62 2k4k s LYS 112 CO 0.00 -0.14 0.58 0.34 -0.36 0.00 0.00 175.35 175.77 2k4k s ASP 113 N -0.76 -0.54 0.00 1.43 2.15 -1.26 -5.07 116.67 112.62 2k4k s ASP 113 Ca -0.08 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.36 2k4k s ASP 113 Cb -0.04 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 43.08 2k4k s ASP 113 CO 0.03 -0.63 0.53 0.29 -0.17 0.00 0.00 175.17 175.23 2k4k n LYS 114 N 0.78 0.51 0.28 4.34 4.76 -1.26 -4.80 118.16 122.77 2k4k n LYS 114 Ca -0.19 -0.62 0.17 0.00 -2.87 0.00 0.00 58.31 54.79 2k4k n LYS 114 Cb 0.58 -0.61 0.82 0.00 -1.84 0.00 0.00 35.03 33.98 2k4k n LYS 114 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2k4k h LEU 115 N 0.00 0.00 -1.26 -0.35 5.85 -1.98 -2.27 115.31 115.29 2k4k h LEU 115 Ca 0.00 0.00 0.45 0.00 0.84 0.00 0.00 57.88 59.17 2k4k h LEU 115 Cb 0.82 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.72 2k4k h LEU 115 CO 0.00 0.00 0.80 -0.62 -0.34 0.00 0.00 178.44 178.28 2k4k n GLU 116 N -3.12 -0.04 0.17 1.25 1.02 -1.26 -0.59 120.64 118.06 2k4k n GLU 116 Ca 0.00 1.20 0.13 0.00 -0.02 0.00 0.00 57.16 58.47 2k4k n GLU 116 Cb 0.42 -2.33 0.57 0.00 -0.02 0.00 0.00 31.44 30.08 2k4k n GLU 116 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k4k h GLU 117 N 0.00 0.00 0.00 3.49 5.08 -1.68 -3.30 114.58 118.17 2k4k h GLU 117 Ca 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.19 2k4k h GLU 117 Cb 2.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.87 2k4k h GLU 117 CO -0.47 0.00 0.00 0.91 -1.00 0.00 0.00 179.01 178.45 2k4k n TRP 118 N -2.43 0.00 -0.08 4.33 8.01 0.18 -4.44 117.44 123.00 2k4k n TRP 118 Ca 0.01 0.00 0.18 0.00 -1.31 0.00 0.00 57.50 56.39 2k4k n TRP 118 Cb 0.21 0.00 0.61 0.00 -2.01 0.00 0.00 31.31 30.12 2k4k n TRP 118 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 2k4k h ILE 119 N 0.86 0.75 -0.95 -0.99 6.09 -0.93 -1.07 117.51 121.28 2k4k h ILE 119 Ca 0.00 -0.06 -0.35 0.00 -1.37 0.00 0.00 64.86 63.08 2k4k h ILE 119 Cb 0.43 0.55 -0.40 0.00 0.47 0.00 0.00 36.82 37.88 2k4k h ILE 119 CO 0.00 0.03 -1.18 1.21 -3.07 0.00 0.00 178.15 175.14 2k4k n GLU 120 N -4.42 1.17 0.00 2.19 2.13 -1.26 -5.06 120.64 115.39 2k4k n GLU 120 Ca 0.12 -3.24 0.00 0.00 0.66 0.00 0.00 57.16 54.70 2k4k n GLU 120 Cb 0.59 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 31.06 2k4k n GLU 120 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k4k n MET 121 N -0.10 0.00 0.00 5.31 2.81 -0.41 -0.79 117.12 123.95 2k4k n MET 121 Ca 0.09 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.13 2k4k n MET 121 Cb 0.82 0.00 0.75 0.00 -0.71 0.00 0.00 33.22 34.08 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 -0.32 0.43 0.24 7.83 7.64 -1.26 -4.03 113.62 124.14 2k4k n SER 122 Ca 0.00 -0.88 0.14 0.00 1.01 0.00 0.00 58.87 59.13 2k4k n SER 122 Cb 0.00 -0.05 0.33 0.00 -1.01 0.00 0.00 64.21 63.48 2k4k n SER 122 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2k4k h ASN 123 N 0.62 0.00 -2.84 6.43 -1.24 -1.35 -3.46 115.58 113.74 2k4k h ASN 123 Ca 0.00 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.42 2k4k h ASN 123 Cb 0.23 0.00 0.15 0.00 0.73 0.00 0.00 38.32 39.43 2k4k h ASN 123 CO 0.00 0.00 -0.21 -2.11 -1.29 0.00 0.00 177.43 173.82 2k4k n ARG 124 N -3.09 0.77 -0.28 6.67 -4.01 -1.12 -4.89 116.66 110.70 2k4k n ARG 124 Ca 0.03 0.29 -0.02 0.00 -1.04 0.00 0.00 57.85 57.11 2k4k n ARG 124 Cb 0.46 -1.76 0.10 0.00 -3.04 0.00 0.00 32.46 28.22 2k4k n ARG 124 CO 0.00 0.00 0.00 -0.22 -3.04 0.00 0.00 177.63 174.37 2k4k h LYS 125 N 0.76 0.91 0.00 2.89 3.64 -1.39 -3.42 116.57 119.97 2k4k h LYS 125 Ca -0.44 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2k4k h LYS 125 Cb 1.38 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2k4k h LYS 125 CO 0.51 0.61 0.00 -3.47 -2.27 0.00 0.00 179.45 174.83 2k4k n ASP 126 N -4.63 -0.59 0.00 4.20 2.03 -1.26 -4.98 116.55 111.32 2k4k n ASP 126 Ca 0.10 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2k4k n ASP 126 Cb 0.11 0.72 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 2k4k n ASP 126 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k4k n LEU 127 N -2.86 0.00 -4.15 -2.67 4.77 -1.26 -5.00 117.00 105.83 2k4k n LEU 127 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2k4k n LEU 127 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2k4k n LEU 127 CO 0.00 0.00 -0.03 0.27 -1.33 0.00 0.00 177.39 176.30 2k4k s ILE 128 N 0.00 0.00 0.09 -0.08 -4.36 -1.26 -4.58 121.20 111.01 2k4k s ILE 128 Ca 0.00 -1.79 -0.17 0.00 -0.26 0.00 0.00 60.65 58.44 2k4k s ILE 128 Cb 0.00 -2.49 0.03 0.00 1.25 0.00 0.00 42.46 41.26 2k4k s ILE 128 CO 0.00 0.00 0.40 -0.75 0.24 0.00 0.00 174.94 174.83 2k4k s LYS 129 N -3.67 1.00 0.00 0.37 2.20 -1.26 -0.99 119.74 117.39 2k4k s LYS 129 Ca 0.34 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 2k4k s LYS 129 Cb 0.03 0.44 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 2k4k s LYS 129 CO 0.17 -0.37 0.45 1.63 -0.36 0.00 0.00 175.35 176.87