#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k n ALA 2 N 0.00 -1.17 -1.29 3.04 0.00 -1.26 -4.94 120.51 114.89 2k4k n ALA 2 Ca 0.00 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 2k4k n ALA 2 Cb 0.00 -3.07 0.09 0.00 0.00 0.00 0.00 19.45 16.47 2k4k n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k s ALA 3 N -3.09 2.16 -0.43 0.00 0.00 -1.26 -4.94 121.76 114.21 2k4k s ALA 3 Ca 0.60 0.61 0.24 0.00 0.00 0.00 0.00 51.96 53.42 2k4k s ALA 3 Cb -0.33 -3.38 1.02 0.00 0.00 0.00 0.00 23.12 20.43 2k4k s ALA 3 CO 0.74 -1.79 1.73 0.87 0.00 0.00 0.00 175.76 177.30 2k4k h LYS 4 N -0.58 0.00 -4.26 0.00 1.57 -2.06 -3.44 116.57 107.81 2k4k h LYS 4 Ca -0.46 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.11 2k4k h LYS 4 Cb 1.26 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.37 2k4k h LYS 4 CO 0.50 0.00 -0.71 -0.06 -0.57 0.00 0.00 179.45 178.61 2k4k s PHE 5 N -3.35 0.46 0.00 -1.35 0.08 -1.26 -5.17 117.98 107.39 2k4k s PHE 5 Ca 0.04 -0.54 -0.07 0.00 0.12 0.00 0.00 56.93 56.48 2k4k s PHE 5 Cb 0.09 -0.30 0.00 0.00 -0.57 0.00 0.00 43.02 42.25 2k4k s PHE 5 CO 0.39 -0.15 0.14 -1.21 -0.10 0.00 0.00 175.22 174.29 2k4k s GLU 6 N -1.63 0.47 0.25 0.44 2.02 -1.26 -5.02 118.70 113.96 2k4k s GLU 6 Ca -0.12 -0.38 -0.31 0.00 0.02 0.00 0.00 54.97 54.18 2k4k s GLU 6 Cb -0.09 0.20 -0.14 0.00 0.10 0.00 0.00 34.13 34.20 2k4k s GLU 6 CO -0.01 -0.11 1.34 1.33 0.02 0.00 0.00 175.26 177.83 2k4k n VAL 7 N 1.52 1.13 0.00 2.63 0.24 -1.26 -1.86 118.33 120.73 2k4k n VAL 7 Ca -0.22 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2k4k n VAL 7 Cb 0.56 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 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 1.91 1.99 3.64 7.63 0.00 -0.39 -5.02 105.19 114.95 2k4k n GLY 8 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.16 2.60 -0.03 1.61 0.01 -0.77 -4.79 113.70 109.16 2k4k s SER 9 Ca 0.00 1.61 -0.01 0.00 1.31 0.00 0.00 55.95 58.86 2k4k s SER 9 Cb 0.00 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.99 2k4k s SER 9 CO 0.00 -3.20 0.07 -0.69 0.41 0.00 0.00 173.24 169.82 2k4k s VAL 10 N -2.75 -0.05 0.16 3.43 1.01 -1.26 -0.60 120.40 120.35 2k4k s VAL 10 Ca 0.66 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.86 2k4k s VAL 10 Cb -0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 2k4k s VAL 10 CO 0.59 0.08 0.15 -1.22 0.00 0.00 0.00 175.10 174.70 2k4k n TYR 11 N 4.09 -0.44 -4.52 5.22 4.01 -0.39 -5.00 117.16 120.13 2k4k n TYR 11 Ca -0.26 -1.37 -0.26 0.00 -0.16 0.00 0.00 57.90 55.85 2k4k n TYR 11 Cb 0.51 0.16 -0.13 0.00 -0.31 0.00 0.00 39.34 39.57 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 -2.66 1.82 0.34 -0.72 2.01 -1.26 -0.59 115.64 114.57 2k4k s THR 12 Ca 0.19 -1.42 -0.10 0.00 0.31 0.00 0.00 61.69 60.67 2k4k s THR 12 Cb 0.01 -1.61 0.04 0.00 0.01 0.00 0.00 72.50 70.95 2k4k s THR 12 CO 0.14 0.12 0.63 0.61 -0.69 0.00 0.00 174.62 175.42 2k4k n GLY 13 N 1.45 1.37 2.96 4.40 0.00 -0.14 -4.80 105.19 110.43 2k4k n GLY 13 Ca -0.18 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.22 1.76 0.03 1.61 2.36 -0.28 -1.04 119.74 121.95 2k4k s LYS 14 Ca 0.17 -0.37 -0.30 0.00 -2.55 0.00 0.00 55.97 52.92 2k4k s LYS 14 Cb -0.04 -1.68 -0.08 0.00 -1.05 0.00 0.00 37.83 34.99 2k4k s LYS 14 CO 0.12 -0.19 1.74 0.08 1.55 0.00 0.00 175.35 178.65 2k4k s VAL 15 N 1.41 3.17 -0.31 4.02 1.01 0.31 -0.99 120.40 129.02 2k4k s VAL 15 Ca 0.00 0.41 0.16 0.00 0.00 0.00 0.00 61.98 62.55 2k4k s VAL 15 Cb -0.13 -3.26 -0.22 0.00 0.00 0.00 0.00 36.38 32.76 2k4k s VAL 15 CO -0.06 -0.02 0.48 0.35 0.00 0.00 0.00 175.10 175.85 2k4k n THR 16 N 5.17 0.00 -3.61 3.92 -2.24 0.16 -1.52 114.28 116.16 2k4k n THR 16 Ca 0.17 -0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 61.67 2k4k n THR 16 Cb 0.41 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 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 -3.29 -0.35 0.02 3.38 0.00 -1.20 -4.89 107.32 100.99 2k4k s GLY 17 Ca -0.01 1.15 0.08 0.00 0.00 0.00 0.00 44.72 45.94 2k4k s GLY 17 CO 0.66 0.33 -0.23 1.08 0.00 0.00 0.00 173.10 174.94 2k4k s LEU 18 N -2.57 2.31 0.09 0.66 1.43 -1.26 -0.88 118.68 118.46 2k4k s LEU 18 Ca 0.12 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2k4k s LEU 18 Cb 0.02 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2k4k s LEU 18 CO -0.04 0.28 -0.07 -1.10 0.23 0.00 0.00 176.35 175.64 2k4k s GLN 19 N -1.11 0.81 0.00 1.70 -1.52 0.48 -4.97 119.66 115.05 2k4k s GLN 19 Ca 0.12 -1.25 0.04 0.00 -1.95 0.00 0.00 55.36 52.31 2k4k s GLN 19 Cb -0.10 -0.28 0.21 0.00 -0.22 0.00 0.00 33.01 32.62 2k4k s GLN 19 CO 0.02 0.01 0.76 0.00 -0.25 0.00 0.00 175.29 175.83 2k4k n ALA 20 N 0.20 1.56 -0.97 6.09 0.00 -1.26 -2.05 120.51 124.08 2k4k n ALA 20 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2k4k n ALA 20 Cb 0.60 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.08 0.00 -3.30 0.00 0.18 -1.26 -4.86 117.16 106.84 2k4k n TYR 21 Ca 0.02 -0.01 0.00 0.00 1.88 0.00 0.00 57.90 59.79 2k4k n TYR 21 Cb 0.02 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.98 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 -0.01 -0.79 2.93 -7.48 0.00 -0.87 -1.19 105.19 97.78 2k4k n GLY 22 Ca 0.00 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.00 0.59 0.29 4.61 0.00 -0.09 -0.39 121.76 125.76 2k4k s ALA 23 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.55 2k4k s ALA 23 Cb 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 2k4k s ALA 23 CO 0.00 0.05 0.96 -0.06 0.00 0.00 0.00 175.76 176.72 2k4k s PHE 24 N 0.44 3.78 -0.12 0.00 0.08 -0.06 -1.32 117.98 120.79 2k4k s PHE 24 Ca -0.05 1.83 -0.03 0.00 0.12 0.00 0.00 56.93 58.79 2k4k s PHE 24 Cb -0.09 -2.99 0.04 0.00 -0.57 0.00 0.00 43.02 39.41 2k4k s PHE 24 CO -0.00 0.20 0.05 0.08 -0.10 0.00 0.00 175.22 175.45 2k4k s VAL 25 N -1.40 0.13 0.35 -0.44 1.01 -0.07 -0.66 120.40 119.31 2k4k s VAL 25 Ca 0.46 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 2k4k s VAL 25 Cb -0.23 -0.53 -0.10 0.00 0.00 0.00 0.00 36.38 35.52 2k4k s VAL 25 CO 0.29 -0.01 1.29 0.00 0.00 0.00 0.00 175.10 176.66 2k4k s ALA 26 N 2.06 3.42 -0.01 5.51 0.00 -0.16 -1.12 121.76 131.45 2k4k s ALA 26 Ca 0.03 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.22 2k4k s ALA 26 Cb -0.14 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 2k4k s ALA 26 CO -0.06 -0.66 -0.00 1.28 0.00 0.00 0.00 175.76 176.31 2k4k n LEU 27 N 0.60 0.81 -3.95 0.00 4.77 0.13 -1.13 117.00 118.23 2k4k n LEU 27 Ca 0.01 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 2k4k n LEU 27 Cb 0.43 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2k4k n LEU 27 CO 0.58 0.16 0.29 -0.62 -1.33 0.00 0.00 177.39 176.46 2k4k s ASP 28 N -3.41 -0.15 0.21 -1.43 2.15 -0.74 -4.83 116.67 108.48 2k4k s ASP 28 Ca -0.01 -0.82 0.15 0.00 0.43 0.00 0.00 52.55 52.30 2k4k s ASP 28 Cb 0.00 0.64 0.79 0.00 -0.30 0.00 0.00 42.92 44.06 2k4k s ASP 28 CO 0.04 -1.22 1.46 -1.84 -0.17 0.00 0.00 175.17 173.45 2k4k n GLU 29 N -0.41 0.10 -0.41 4.34 0.28 -1.26 -1.88 120.64 121.40 2k4k n GLU 29 Ca -0.02 0.56 0.02 0.00 -0.16 0.00 0.00 57.16 57.56 2k4k n GLU 29 Cb 0.61 -1.80 0.03 0.00 1.43 0.00 0.00 31.44 31.71 2k4k n GLU 29 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2k4k n GLU 30 N -2.00 0.26 -3.82 3.44 1.02 -1.26 -5.08 120.64 113.19 2k4k n GLU 30 Ca -0.01 -1.32 -0.13 0.00 -0.02 0.00 0.00 57.16 55.69 2k4k n GLU 30 Cb 0.05 -0.70 -0.13 0.00 -0.02 0.00 0.00 31.44 30.63 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 -0.58 -0.01 -0.11 2.62 2.01 -0.79 -5.10 115.64 113.68 2k4k s THR 31 Ca 0.07 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 61.90 2k4k s THR 31 Cb 0.06 -0.19 0.04 0.00 0.01 0.00 0.00 72.50 72.42 2k4k s THR 31 CO 0.01 0.01 0.47 -1.58 -0.69 0.00 0.00 174.62 172.84 2k4k s GLN 32 N 0.21 0.68 0.33 4.92 -0.44 -1.26 -0.69 119.66 123.41 2k4k s GLN 32 Ca -0.01 0.37 0.05 0.00 -2.50 0.00 0.00 55.36 53.26 2k4k s GLN 32 Cb -0.02 0.32 -0.02 0.00 -1.64 0.00 0.00 33.01 31.65 2k4k s GLN 32 CO -0.01 -0.14 0.18 0.41 0.50 0.00 0.00 175.29 176.23 2k4k n GLY 33 N 2.07 3.21 2.79 2.59 0.00 -0.27 -4.25 105.19 111.32 2k4k n GLY 33 Ca -0.17 -2.00 -0.26 0.00 0.00 0.00 0.00 46.02 43.59 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 1.14 -0.28 0.99 2.96 -0.86 -0.89 118.68 121.74 2k4k s LEU 34 Ca 0.26 -0.57 -0.29 0.00 -0.22 0.00 0.00 54.13 53.31 2k4k s LEU 34 Cb 0.01 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 46.07 2k4k s LEU 34 CO 0.18 -0.24 1.04 0.54 -1.32 0.00 0.00 176.35 176.55 2k4k s VAL 35 N 1.83 4.60 0.47 1.68 0.11 -0.43 -1.20 120.40 127.46 2k4k s VAL 35 Ca 0.01 1.84 -0.22 0.00 -2.93 0.00 0.00 61.98 60.69 2k4k s VAL 35 Cb -0.15 -4.35 -0.08 0.00 -1.53 0.00 0.00 36.38 30.27 2k4k s VAL 35 CO -0.07 -0.33 1.09 -1.00 -3.33 0.00 0.00 175.10 171.46 2k4k s HIS 36 N 3.41 2.98 0.43 1.54 3.76 -1.26 -0.91 115.29 125.24 2k4k s HIS 36 Ca 0.44 1.58 0.19 0.00 -0.15 0.00 0.00 55.06 57.12 2k4k s HIS 36 Cb -0.14 -3.20 1.12 0.00 1.11 0.00 0.00 32.58 31.47 2k4k s HIS 36 CO 0.11 -1.09 1.87 0.97 -0.85 0.00 0.00 174.74 175.75 2k4k h ILE 37 N 1.74 0.68 0.00 0.60 2.10 -1.49 -0.13 117.51 121.01 2k4k h ILE 37 Ca -0.49 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.32 2k4k h ILE 37 Cb 1.23 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 2k4k h ILE 37 CO 0.60 0.07 0.00 0.28 -1.08 0.00 0.00 178.15 178.01 2k4k h SER 38 N 0.37 0.00 0.00 2.19 0.02 -1.92 -2.37 113.55 111.83 2k4k h SER 38 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2k4k h SER 38 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2k4k h SER 38 CO -0.16 0.00 -0.00 -0.62 -1.14 0.00 0.00 176.83 174.91 2k4k n GLU 39 N -2.36 2.61 0.09 3.45 -0.58 -0.06 -4.65 120.64 119.12 2k4k n GLU 39 Ca -0.01 -1.67 -0.05 0.00 -0.42 0.00 0.00 57.16 55.01 2k4k n GLU 39 Cb 0.09 -1.08 -0.05 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.10 1.54 -2.56 2.62 2.07 -1.42 0.47 116.25 119.06 2k4k h VAL 40 Ca 0.00 -3.03 0.07 0.00 0.82 0.00 0.00 66.70 64.56 2k4k h VAL 40 Cb 0.61 2.67 -0.13 0.00 -1.52 0.00 0.00 31.29 32.92 2k4k h VAL 40 CO 0.00 0.84 0.39 0.28 0.02 0.00 0.00 177.57 179.10 2k4k s THR 41 N -2.89 0.00 -0.07 2.57 -1.32 -1.26 -3.84 115.64 108.83 2k4k s THR 41 Ca 0.01 -0.12 0.24 0.00 -1.21 0.00 0.00 61.69 60.61 2k4k s THR 41 Cb 0.10 -1.15 0.25 0.00 -1.51 0.00 0.00 72.50 70.19 2k4k s THR 41 CO 0.80 0.00 1.72 0.45 -2.21 0.00 0.00 174.62 175.38 2k4k h HIS 42 N 2.00 0.00 -3.97 9.09 -0.00 -1.90 -3.46 115.15 116.91 2k4k h HIS 42 Ca -0.26 0.00 -0.44 0.00 -0.00 0.00 0.00 60.37 59.66 2k4k h HIS 42 Cb 1.26 0.00 0.16 0.00 -0.00 0.00 0.00 27.41 28.83 2k4k h HIS 42 CO 0.27 0.19 0.27 0.20 -0.00 0.00 0.00 177.93 178.86 2k4k s GLY 43 N -4.28 1.62 0.55 2.45 0.00 -1.26 -5.04 107.32 101.36 2k4k s GLY 43 Ca 0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 44.72 43.78 2k4k s GLY 43 CO 0.65 -0.07 1.24 -0.11 0.00 0.00 0.00 173.10 174.81 2k4k s PHE 44 N -3.30 2.45 -0.45 1.90 -0.12 -1.26 -5.00 117.98 112.19 2k4k s PHE 44 Ca 0.68 1.48 0.07 0.00 -0.05 0.00 0.00 56.93 59.10 2k4k s PHE 44 Cb -0.12 -3.56 0.24 0.00 -0.63 0.00 0.00 43.02 38.96 2k4k s PHE 44 CO 0.54 -2.29 0.76 1.55 -0.05 0.00 0.00 175.22 175.74 2k4k n VAL 45 N -1.21 -0.25 0.30 -2.49 3.14 -1.26 -4.91 118.33 111.65 2k4k n VAL 45 Ca 0.11 -2.41 0.17 0.00 -2.96 0.00 0.00 64.34 59.26 2k4k n VAL 45 Cb 0.48 0.26 0.98 0.00 -1.06 0.00 0.00 33.84 34.50 2k4k n VAL 45 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 2k4k h LYS 46 N 3.99 0.00 -3.57 1.45 2.10 -1.95 -3.40 116.57 115.18 2k4k h LYS 46 Ca -0.07 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.42 2k4k h LYS 46 Cb 0.98 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.09 2k4k h LYS 46 CO 0.38 0.00 -0.54 0.34 -2.00 0.00 0.00 179.45 177.62 2k4k s ASP 47 N -5.78 0.03 0.41 7.07 -1.08 -1.26 -5.06 116.67 110.99 2k4k s ASP 47 Ca -0.05 -0.15 0.17 0.00 -0.52 0.00 0.00 52.55 52.00 2k4k s ASP 47 Cb 0.14 0.20 1.06 0.00 -1.46 0.00 0.00 42.92 42.87 2k4k s ASP 47 CO 0.50 -0.29 1.85 -0.29 0.52 0.00 0.00 175.17 177.46 2k4k h ILE 48 N 4.48 0.67 0.00 4.11 6.09 -1.82 -1.56 117.51 129.49 2k4k h ILE 48 Ca -0.30 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 2k4k h ILE 48 Cb 1.20 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.69 2k4k h ILE 48 CO 0.41 0.08 0.00 -0.55 -3.07 0.00 0.00 178.15 175.02 2k4k h ASN 49 N 0.43 0.00 0.46 2.19 7.08 -1.95 -2.55 115.58 121.25 2k4k h ASN 49 Ca 0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.70 2k4k h ASN 49 Cb 1.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.41 2k4k h ASN 49 CO -0.19 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 174.54 2k4k n GLU 50 N -2.70 0.09 -2.61 4.14 -0.58 -0.59 -4.77 120.64 113.62 2k4k n GLU 50 Ca -0.00 0.19 -0.06 0.00 -0.42 0.00 0.00 57.16 56.87 2k4k n GLU 50 Cb 0.17 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 2k4k n GLU 50 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2k4k n HIS 51 N -1.42 -0.40 -3.66 -0.32 -0.00 -0.96 -4.97 115.22 103.48 2k4k n HIS 51 Ca 0.05 -0.86 0.00 0.00 0.46 0.00 0.00 57.72 57.38 2k4k n HIS 51 Cb 0.17 0.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 2k4k n HIS 51 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2k4k n LEU 52 N 0.00 0.00 -4.03 0.27 7.94 -1.26 -4.97 117.00 114.95 2k4k n LEU 52 Ca 0.02 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.82 2k4k n LEU 52 Cb 0.19 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.06 2k4k n LEU 52 CO 0.10 -1.07 -0.10 -0.44 -1.11 0.00 0.00 177.39 174.77 2k4k s SER 53 N -4.00 0.12 0.15 1.96 0.01 -1.26 -5.05 113.70 105.63 2k4k s SER 53 Ca 0.00 -1.00 0.10 0.00 1.31 0.00 0.00 55.95 56.36 2k4k s SER 53 Cb 0.00 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 2k4k s SER 53 CO 0.00 -0.86 -0.24 0.54 0.41 0.00 0.00 173.24 173.10 2k4k s VAL 54 N -4.00 2.13 -1.33 3.43 0.11 -1.26 -4.70 120.40 114.78 2k4k s VAL 54 Ca 0.21 -1.84 -0.08 0.00 -2.93 0.00 0.00 61.98 57.34 2k4k s VAL 54 Cb 0.04 -1.94 0.01 0.00 -1.53 0.00 0.00 36.38 32.96 2k4k s VAL 54 CO 0.02 -0.07 1.01 0.61 -3.33 0.00 0.00 175.10 173.34 2k4k n GLY 55 N 0.63 -0.47 3.17 6.54 0.00 -0.57 -5.00 105.19 109.48 2k4k n GLY 55 Ca -0.16 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.18 0.78 -0.00 1.61 2.15 -1.25 -4.94 116.67 111.84 2k4k s ASP 56 Ca 0.50 -1.12 -0.15 0.00 0.43 0.00 0.00 52.55 52.21 2k4k s ASP 56 Cb -0.22 0.18 -0.06 0.00 -0.30 0.00 0.00 42.92 42.53 2k4k s ASP 56 CO 0.62 -0.61 0.42 -0.70 -0.17 0.00 0.00 175.17 174.74 2k4k s GLU 57 N -3.94 3.95 -0.01 4.34 2.12 -1.26 -0.53 118.70 123.37 2k4k s GLU 57 Ca 0.19 0.43 -0.05 0.00 0.36 0.00 0.00 54.97 55.90 2k4k s GLU 57 Cb 0.07 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 31.22 2k4k s GLU 57 CO -0.01 0.66 0.09 0.14 -0.54 0.00 0.00 175.26 175.61 2k4k s VAL 58 N -1.00 0.06 0.05 3.70 -7.23 -0.20 -4.95 120.40 110.82 2k4k s VAL 58 Ca 0.24 -0.52 -0.21 0.00 -1.81 0.00 0.00 61.98 59.69 2k4k s VAL 58 Cb -0.17 -0.31 -0.06 0.00 0.56 0.00 0.00 36.38 36.40 2k4k s VAL 58 CO 0.13 -0.28 0.61 -1.10 -0.31 0.00 0.00 175.10 174.15 2k4k s GLN 59 N -0.94 4.29 -0.03 4.82 -0.21 -1.26 -0.97 119.66 125.35 2k4k s GLN 59 Ca -0.10 0.78 0.02 0.00 0.02 0.00 0.00 55.36 56.08 2k4k s GLN 59 Cb -0.06 -3.29 0.01 0.00 1.00 0.00 0.00 33.01 30.67 2k4k s GLN 59 CO 0.01 0.50 -0.07 0.14 -2.12 0.00 0.00 175.29 173.75 2k4k s VAL 60 N -0.68 0.64 0.07 1.09 -7.23 0.25 -4.77 120.40 109.77 2k4k s VAL 60 Ca 0.31 -0.24 -0.22 0.00 -1.81 0.00 0.00 61.98 60.02 2k4k s VAL 60 Cb -0.19 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.07 2k4k s VAL 60 CO 0.19 0.23 0.66 -0.75 -0.31 0.00 0.00 175.10 175.12 2k4k s LYS 61 N 0.52 4.38 -0.29 4.82 2.20 -0.73 -1.27 119.74 129.37 2k4k s LYS 61 Ca -0.07 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 2k4k s LYS 61 Cb -0.11 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 2k4k s LYS 61 CO 0.01 0.48 1.67 0.08 -0.36 0.00 0.00 175.35 177.22 2k4k s VAL 62 N -0.65 3.62 -0.09 4.02 1.01 0.23 -1.35 120.40 127.21 2k4k s VAL 62 Ca 0.33 0.67 -0.09 0.00 0.00 0.00 0.00 61.98 62.89 2k4k s VAL 62 Cb -0.20 -3.73 -0.28 0.00 0.00 0.00 0.00 36.38 32.16 2k4k s VAL 62 CO 0.21 -0.39 0.51 0.25 0.00 0.00 0.00 175.10 175.67 2k4k h LEU 63 N 12.56 0.52 -7.61 3.92 5.85 -1.23 -1.04 115.31 128.28 2k4k h LEU 63 Ca -0.33 -0.95 -0.02 0.00 0.84 0.00 0.00 57.88 57.42 2k4k h LEU 63 Cb 1.15 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 2k4k h LEU 63 CO 1.02 1.83 0.06 0.00 -0.34 0.00 0.00 178.44 181.01 2k4k s ALA 64 N -2.57 -1.02 0.03 1.25 0.00 -0.95 -4.77 121.76 113.74 2k4k s ALA 64 Ca -0.19 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2k4k s ALA 64 Cb 0.06 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 24.01 2k4k s ALA 64 CO 0.81 -0.81 -0.07 0.54 0.00 0.00 0.00 175.76 176.24 2k4k s VAL 65 N -3.86 0.44 -0.45 0.00 0.11 -1.26 -1.15 120.40 114.23 2k4k s VAL 65 Ca 0.08 -0.95 0.05 0.00 -2.93 0.00 0.00 61.98 58.23 2k4k s VAL 65 Cb -0.01 -0.51 0.18 0.00 -1.53 0.00 0.00 36.38 34.52 2k4k s VAL 65 CO -0.04 -0.35 0.40 -0.67 -3.33 0.00 0.00 175.10 171.11 2k4k n ASP 66 N 1.66 0.12 0.10 3.54 2.03 0.14 -4.98 116.55 119.16 2k4k n ASP 66 Ca -0.22 -2.55 0.16 0.00 0.52 0.00 0.00 54.79 52.71 2k4k n ASP 66 Cb 0.55 -0.59 0.68 0.00 -0.72 0.00 0.00 41.12 41.04 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 5.31 0.00 0.00 -0.67 4.57 -1.95 0.11 114.58 121.95 2k4k h GLU 67 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2k4k h GLU 67 Cb 0.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2k4k h GLU 67 CO 0.44 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.66 2k4k n GLU 68 N -4.41 0.15 0.00 1.92 1.02 -1.26 -2.64 120.64 115.42 2k4k n GLU 68 Ca 0.05 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2k4k n GLU 68 Cb 0.42 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 2k4k n GLU 68 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2k4k n LYS 69 N -2.17 4.77 -3.18 3.49 4.81 -0.60 -5.03 118.16 120.24 2k4k n LYS 69 Ca 0.01 -0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.30 2k4k n LYS 69 Cb 0.14 -0.34 0.05 0.00 0.02 0.00 0.00 35.03 34.90 2k4k n LYS 69 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k4k n GLY 70 N 0.68 0.02 3.51 3.14 0.00 0.29 -5.04 105.19 107.79 2k4k n GLY 70 Ca 0.00 -0.10 -0.24 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 -5.81 1.73 0.00 1.61 -0.14 -0.87 -4.94 119.74 111.32 2k4k s LYS 71 Ca 0.36 -1.90 0.01 0.00 -1.36 0.00 0.00 55.97 53.09 2k4k s LYS 71 Cb -0.16 -1.48 -0.01 0.00 -1.68 0.00 0.00 37.83 34.51 2k4k s LYS 71 CO 0.45 0.08 -0.03 0.42 -0.76 0.00 0.00 175.35 175.52 2k4k s ILE 72 N -2.78 0.20 0.09 2.17 1.01 -1.26 -0.69 121.20 119.94 2k4k s ILE 72 Ca 0.32 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.76 2k4k s ILE 72 Cb 0.04 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 2k4k s ILE 72 CO 0.15 -0.04 -0.01 -0.44 0.00 0.00 0.00 174.94 174.60 2k4k s SER 73 N -0.32 5.00 0.27 3.58 0.01 -0.30 -2.02 113.70 119.91 2k4k s SER 73 Ca -0.02 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.08 2k4k s SER 73 Cb -0.03 -1.18 -0.05 0.00 0.21 0.00 0.00 66.02 64.97 2k4k s SER 73 CO -0.00 0.18 0.06 -0.76 0.41 0.00 0.00 173.24 173.13 2k4k s LEU 74 N -2.28 1.92 0.02 2.44 1.43 -0.34 -0.79 118.68 121.08 2k4k s LEU 74 Ca 0.25 -1.34 -0.03 0.00 -1.03 0.00 0.00 54.13 51.98 2k4k s LEU 74 Cb -0.12 -0.16 -0.01 0.00 0.03 0.00 0.00 46.19 45.93 2k4k s LEU 74 CO 0.18 -0.64 0.05 -0.94 0.23 0.00 0.00 176.35 175.22 2k4k s SER 75 N -3.36 0.19 0.00 2.29 1.04 -0.45 -3.97 113.70 109.43 2k4k s SER 75 Ca 0.35 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2k4k s SER 75 Cb 0.08 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2k4k s SER 75 CO 0.13 -0.40 0.00 -0.38 0.98 0.00 0.00 173.24 173.57 2k4k n ILE 76 N 1.21 0.00 0.17 -1.02 2.08 -0.06 -1.78 119.36 119.96 2k4k n ILE 76 Ca -0.22 0.00 0.18 0.00 0.56 0.00 0.00 62.75 63.28 2k4k n ILE 76 Cb 0.57 -0.72 0.80 0.00 -0.75 0.00 0.00 39.64 39.54 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 -1.11 0.78 114.38 114.55 2k4k h ARG 77 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2k4k h ARG 77 Cb 0.82 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.89 2k4k h ARG 77 CO 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 179.97 180.03 2k4k h ALA 78 N 1.68 0.99 0.00 0.08 0.00 -1.82 -3.37 119.26 116.82 2k4k h ALA 78 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2k4k h ALA 78 Cb 0.68 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k4k h ALA 78 CO -0.00 0.06 -1.19 0.25 0.00 0.00 0.00 179.25 178.37 2k4k n THR 79 N -3.14 0.04 -1.64 0.00 -2.24 0.13 -4.98 114.28 102.46 2k4k n THR 79 Ca 0.01 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 2k4k n THR 79 Cb 0.39 0.17 0.06 0.00 -2.10 0.00 0.00 70.33 68.85 2k4k n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4k n GLN 80 N -1.72 0.92 -0.30 -0.78 1.13 -0.41 -4.96 117.38 111.25 2k4k n GLN 80 Ca -0.02 0.36 0.04 0.00 -1.94 0.00 0.00 57.00 55.44 2k4k n GLN 80 Cb 0.19 -2.27 0.05 0.00 0.11 0.00 0.00 30.24 28.33 2k4k n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k4k n ALA 81 N -1.86 2.05 -2.59 -1.58 0.00 -1.26 -5.02 120.51 110.26 2k4k n ALA 81 Ca 0.15 -1.59 -0.09 0.00 0.00 0.00 0.00 53.44 51.91 2k4k n ALA 81 Cb 0.48 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 2k4k n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k s ALA 82 N -1.10 -0.15 0.41 0.00 0.00 -1.26 -5.06 121.76 114.60 2k4k s ALA 82 Ca 0.12 -0.70 0.15 0.00 0.00 0.00 0.00 51.96 51.53 2k4k s ALA 82 Cb 0.10 0.58 1.02 0.00 0.00 0.00 0.00 23.12 24.82 2k4k s ALA 82 CO 0.01 -0.54 1.90 -1.35 0.00 0.00 0.00 175.76 175.78 2k4k h PRO 83 N 2.70 0.45 -4.03 0.00 0.11 -2.04 -3.43 132.00 125.76 2k4k h PRO 83 Ca -0.33 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.62 2k4k h PRO 83 Cb 1.21 -0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 2k4k h PRO 83 CO 0.54 0.30 -0.40 -1.21 -0.21 0.00 0.00 178.00 177.02 2k4k s GLU 84 N -5.46 1.11 -0.86 1.05 2.02 -1.26 -4.68 118.70 110.63 2k4k s GLU 84 Ca -0.08 -1.26 -0.23 0.00 0.02 0.00 0.00 54.97 53.42 2k4k s GLU 84 Cb 0.21 0.34 -0.16 0.00 0.10 0.00 0.00 34.13 34.63 2k4k s GLU 84 CO 0.77 -0.39 1.90 1.17 0.02 0.00 0.00 175.26 178.74 2k4k n LYS 85 N -0.19 1.31 -1.73 1.61 0.00 -1.26 -4.95 118.16 112.94 2k4k n LYS 85 Ca -0.06 -1.98 -0.38 0.00 0.00 0.00 0.00 58.31 55.88 2k4k n LYS 85 Cb 0.63 -3.23 0.05 0.00 0.00 0.00 0.00 35.03 32.48 2k4k n LYS 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k4k n LYS 86 N 7.63 1.56 -1.13 1.64 4.01 -1.26 -4.89 118.16 125.73 2k4k n LYS 86 Ca 0.47 0.58 -0.32 0.00 -0.51 0.00 0.00 58.31 58.53 2k4k n LYS 86 Cb 0.43 -2.54 0.12 0.00 -0.51 0.00 0.00 35.03 32.52 2k4k n LYS 86 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2k4k s GLU 87 N -2.95 1.79 0.64 1.97 2.02 -1.26 -5.00 118.70 115.91 2k4k s GLU 87 Ca 0.74 1.49 -0.18 0.00 0.02 0.00 0.00 54.97 57.04 2k4k s GLU 87 Cb -0.41 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 2k4k s GLU 87 CO 0.48 -2.05 1.10 0.43 0.02 0.00 0.00 175.26 175.24 2k4k n SER 88 N -3.50 1.28 -4.73 -0.19 7.64 -1.26 -4.98 113.62 107.88 2k4k n SER 88 Ca 0.11 0.80 -0.36 0.00 1.01 0.00 0.00 58.87 60.43 2k4k n SER 88 Cb 0.52 -1.46 0.08 0.00 -1.01 0.00 0.00 64.21 62.33 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 -3.09 2.42 0.87 1.43 1.02 -1.26 -5.01 119.74 116.12 2k4k s LYS 89 Ca 0.79 2.03 -0.10 0.00 0.02 0.00 0.00 55.97 58.70 2k4k s LYS 89 Cb -0.39 -1.83 0.12 0.00 -0.52 0.00 0.00 37.83 35.20 2k4k s LYS 89 CO 0.44 -1.69 1.12 -1.25 -0.92 0.00 0.00 175.35 173.05 2k4k s PRO 90 N -3.48 1.44 0.00 -1.68 0.04 -1.26 -5.00 135.00 125.07 2k4k s PRO 90 Ca 0.81 1.32 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2k4k s PRO 90 Cb -0.36 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2k4k s PRO 90 CO 0.41 -2.26 0.25 -2.13 0.04 0.00 0.00 177.00 173.32 2k4k n ARG 91 N -3.96 -0.01 -1.87 4.56 3.00 -1.26 -5.05 116.66 112.06 2k4k n ARG 91 Ca 0.10 -0.29 -0.41 0.00 -0.00 0.00 0.00 57.85 57.25 2k4k n ARG 91 Cb 0.53 -0.64 -0.01 0.00 0.00 0.00 0.00 32.46 32.34 2k4k n ARG 91 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2k4k s LYS 92 N -0.06 4.17 0.43 -0.14 -0.14 -1.26 -4.99 119.74 117.74 2k4k s LYS 92 Ca 0.00 2.49 -0.25 0.00 -1.36 0.00 0.00 55.97 56.84 2k4k s LYS 92 Cb 0.00 -3.01 -0.08 0.00 -1.68 0.00 0.00 37.83 33.06 2k4k s LYS 92 CO 0.00 -0.48 1.33 -1.25 -0.76 0.00 0.00 175.35 174.19 2k4k s PRO 93 N -1.58 3.85 0.15 -1.68 0.04 -1.26 -4.94 135.00 129.58 2k4k s PRO 93 Ca 0.55 2.22 -0.09 0.00 0.04 0.00 0.00 61.00 63.71 2k4k s PRO 93 Cb -0.45 -2.69 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 2k4k s PRO 93 CO 0.57 -0.62 1.46 -0.22 0.04 0.00 0.00 177.00 178.23 2k4k h LYS 94 N 2.50 0.81 -7.32 4.56 1.63 -1.94 -3.43 116.57 113.39 2k4k h LYS 94 Ca -0.50 -0.48 -0.51 0.00 -0.85 0.00 0.00 60.65 58.31 2k4k h LYS 94 Cb 1.25 0.04 0.14 0.00 -0.60 0.00 0.00 32.23 33.06 2k4k h LYS 94 CO 0.62 1.11 0.30 0.00 -3.45 0.00 0.00 179.45 178.03 2k4k s ALA 95 N -4.18 2.07 -1.02 5.00 0.00 -1.26 -4.05 121.76 118.32 2k4k s ALA 95 Ca -0.10 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 2k4k s ALA 95 Cb 0.11 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 2k4k s ALA 95 CO 0.87 -1.92 2.30 0.00 0.00 0.00 0.00 175.76 177.01 2k4k n ALA 96 N -3.62 5.27 0.57 0.00 0.00 0.36 -4.25 120.51 118.85 2k4k n ALA 96 Ca 0.09 -2.26 0.13 0.00 0.00 0.00 0.00 53.44 51.39 2k4k n ALA 96 Cb 0.54 -3.04 0.36 0.00 0.00 0.00 0.00 19.45 17.30 2k4k n ALA 96 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2k4k h GLN 97 N 5.95 0.00 -6.17 0.00 4.15 -1.83 -3.46 115.11 113.75 2k4k h GLN 97 Ca 0.56 0.00 -0.47 0.00 0.77 0.00 0.00 58.65 59.51 2k4k h GLN 97 Cb 0.22 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 27.78 2k4k h GLN 97 CO 1.46 0.00 -0.71 1.33 -1.93 0.00 0.00 178.83 178.99 2k4k n VAL 98 N -2.36 -1.18 0.85 2.39 0.24 -1.26 -4.84 118.33 112.17 2k4k n VAL 98 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2k4k n VAL 98 Cb 0.44 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 30.89 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 -2.54 2.41 -3.58 -1.34 7.64 -1.26 -4.78 113.62 110.18 2k4k n SER 99 Ca 0.04 -1.69 -0.22 0.00 1.01 0.00 0.00 58.87 58.01 2k4k n SER 99 Cb 0.51 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.07 1.85 0.00 1.43 2.02 -1.26 -5.03 118.70 117.78 2k4k s GLU 100 Ca 0.00 -2.10 0.12 0.00 0.02 0.00 0.00 54.97 53.01 2k4k s GLU 100 Cb 0.00 0.02 0.58 0.00 0.10 0.00 0.00 34.13 34.83 2k4k s GLU 100 CO 0.00 -0.61 1.30 0.39 0.02 0.00 0.00 175.26 176.36 2k4k n GLU 101 N -0.75 0.14 -4.13 1.61 1.02 -1.26 -4.74 120.64 112.54 2k4k n GLU 101 Ca 0.03 0.19 -0.12 0.00 -0.02 0.00 0.00 57.16 57.25 2k4k n GLU 101 Cb 0.63 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.47 2k4k n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k4k s ALA 102 N -2.64 0.71 0.00 0.62 0.00 -1.26 -5.04 121.76 114.15 2k4k s ALA 102 Ca 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2k4k s ALA 102 Cb 0.08 1.27 0.00 0.00 0.00 0.00 0.00 23.12 24.47 2k4k s ALA 102 CO 0.19 -0.70 1.14 0.43 0.00 0.00 0.00 175.76 176.82 2k4k n SER 103 N -0.49 3.27 0.02 0.00 7.64 -1.26 -4.62 113.62 118.18 2k4k n SER 103 Ca 0.01 -1.93 -0.11 0.00 1.01 0.00 0.00 58.87 57.86 2k4k n SER 103 Cb 0.64 -0.60 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 2k4k n SER 103 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2k4k h THR 104 N 0.37 0.34 -3.52 0.44 1.35 -1.93 -3.40 112.91 106.56 2k4k h THR 104 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.34 2k4k h THR 104 Cb 0.90 0.34 0.02 0.00 -1.73 0.00 0.00 68.15 67.69 2k4k h THR 104 CO 0.00 0.00 0.57 -2.16 -0.25 0.00 0.00 175.52 173.68 2k4k s PRO 105 N -6.03 4.48 0.03 4.72 0.04 -1.26 -5.04 135.00 131.94 2k4k s PRO 105 Ca -0.15 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 2k4k s PRO 105 Cb 0.10 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.40 2k4k s PRO 105 CO 0.66 -0.09 0.04 -0.65 0.04 0.00 0.00 177.00 177.00 2k4k s GLN 106 N -0.43 0.47 0.00 4.56 -1.52 -1.26 -4.32 119.66 117.15 2k4k s GLN 106 Ca 0.52 -0.71 0.00 0.00 -1.95 0.00 0.00 55.36 53.22 2k4k s GLN 106 Cb -0.33 0.18 0.00 0.00 -0.22 0.00 0.00 33.01 32.63 2k4k s GLN 106 CO 0.38 -0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.73 2k4k n GLY 107 N 1.10 -0.49 3.57 3.09 0.00 -1.26 -4.45 105.19 106.74 2k4k n GLY 107 Ca -0.21 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 2k4k n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k4k n PHE 108 N 8.62 -0.08 -3.72 1.61 3.72 -1.26 -3.94 117.46 122.41 2k4k n PHE 108 Ca 0.00 0.25 -0.12 0.00 -0.05 0.00 0.00 57.45 57.53 2k4k n PHE 108 Cb 0.00 -1.88 -0.07 0.00 -0.94 0.00 0.00 39.48 36.59 2k4k n PHE 108 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2k4k s ASN 109 N -2.44 -0.17 0.44 4.37 3.84 -1.26 -0.49 114.94 119.23 2k4k s ASN 109 Ca 0.65 -0.15 0.16 0.00 0.21 0.00 0.00 52.86 53.73 2k4k s ASN 109 Cb -0.23 0.38 1.08 0.00 -0.55 0.00 0.00 41.25 41.93 2k4k s ASN 109 CO 0.62 -0.64 1.94 0.71 -2.79 0.00 0.00 177.10 176.94 2k4k h THR 110 N 3.11 0.82 -0.13 -5.21 1.35 -1.98 -0.79 112.91 110.08 2k4k h THR 110 Ca -0.32 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.39 2k4k h THR 110 Cb 1.20 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2k4k h THR 110 CO 0.45 0.07 -0.02 0.25 -0.25 0.00 0.00 175.52 176.03 2k4k h LEU 111 N 0.37 0.24 -1.97 3.87 5.85 -1.98 -3.11 115.31 118.59 2k4k h LEU 111 Ca 0.33 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2k4k h LEU 111 Cb 0.78 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2k4k h LEU 111 CO -0.09 0.53 0.17 0.11 -0.34 0.00 0.00 178.44 178.82 2k4k h LYS 112 N -0.05 0.04 0.00 1.25 1.57 -1.59 0.32 116.57 118.11 2k4k h LYS 112 Ca 0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2k4k h LYS 112 Cb 0.41 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2k4k h LYS 112 CO 0.01 0.02 0.00 0.22 -0.57 0.00 0.00 179.45 179.13 2k4k h ASP 113 N 0.04 0.00 0.00 0.86 3.58 -1.20 -3.39 116.42 116.31 2k4k h ASP 113 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2k4k h ASP 113 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2k4k h ASP 113 CO -0.01 0.00 0.00 2.29 -2.88 0.00 0.00 179.24 178.64 2k4k n LYS 114 N -2.65 1.01 -0.48 0.28 2.85 -0.48 -5.10 118.16 113.59 2k4k n LYS 114 Ca 0.02 -0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.00 2k4k n LYS 114 Cb 0.32 -0.09 0.26 0.00 -0.65 0.00 0.00 35.03 34.87 2k4k n LYS 114 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2k4k n LEU 115 N -0.15 -1.61 0.00 -5.58 -0.00 -0.02 -5.00 117.00 104.65 2k4k n LEU 115 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 2k4k n LEU 115 Cb 0.01 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.19 2k4k n LEU 115 CO 0.00 -3.31 0.11 -0.62 -0.00 0.00 0.00 177.39 173.57 2k4k n GLU 116 N -4.83 0.37 0.32 1.47 1.02 -1.26 -4.84 120.64 112.89 2k4k n GLU 116 Ca 0.03 -0.22 0.20 0.00 -0.02 0.00 0.00 57.16 57.15 2k4k n GLU 116 Cb 0.54 -0.67 1.08 0.00 -0.02 0.00 0.00 31.44 32.37 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 -2.00 -2.12 114.58 119.03 2k4k h GLU 117 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k4k h GLU 117 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k4k h GLU 117 CO 0.00 0.01 0.03 0.11 -1.00 0.00 0.00 179.01 178.16 2k4k h TRP 118 N 0.00 0.00 0.00 4.33 5.08 -2.01 -1.51 115.95 121.84 2k4k h TRP 118 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2k4k h TRP 118 Cb 0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.25 2k4k h TRP 118 CO 0.00 0.00 0.00 0.44 -1.28 0.00 0.00 178.44 177.60 2k4k n ILE 119 N -2.39 0.90 -1.75 0.12 -6.64 -0.80 -3.51 119.36 105.29 2k4k n ILE 119 Ca -0.02 0.34 -0.42 0.00 -1.77 0.00 0.00 62.75 60.88 2k4k n ILE 119 Cb 0.07 -1.28 -0.01 0.00 -1.44 0.00 0.00 39.64 36.99 2k4k n ILE 119 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 2k4k n GLU 120 N -2.20 2.60 -0.18 6.28 2.13 -0.57 -4.58 120.64 124.12 2k4k n GLU 120 Ca 0.01 0.92 0.15 0.00 0.66 0.00 0.00 57.16 58.90 2k4k n GLU 120 Cb 0.18 -2.66 0.48 0.00 0.27 0.00 0.00 31.44 29.72 2k4k n GLU 120 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 2k4k h MET 121 N 3.86 0.45 -0.02 5.31 2.86 -1.91 0.11 114.93 125.59 2k4k h MET 121 Ca -0.48 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.14 2k4k h MET 121 Cb 1.24 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.80 2k4k h MET 121 CO 0.72 0.30 0.25 0.77 1.06 0.00 0.00 176.91 180.01 2k4k h SER 122 N 0.46 0.00 0.00 1.22 0.02 -1.93 -2.45 113.55 110.87 2k4k h SER 122 Ca 0.38 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 2k4k h SER 122 Cb 0.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 2k4k h SER 122 CO -0.13 0.00 -1.14 -3.20 -1.14 0.00 0.00 176.83 171.22 2k4k n ASN 123 N -3.00 4.15 -0.10 3.07 5.15 -0.10 -4.74 115.26 119.69 2k4k n ASN 123 Ca -0.02 -0.01 0.24 0.00 -0.60 0.00 0.00 54.58 54.20 2k4k n ASN 123 Cb 0.31 0.25 0.70 0.00 -0.53 0.00 0.00 39.78 40.51 2k4k n ASN 123 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2k4k h ARG 124 N 0.00 0.02 -0.63 1.20 2.43 -0.61 -1.48 114.38 115.32 2k4k h ARG 124 Ca -0.06 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.29 2k4k h ARG 124 Cb 1.11 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 2k4k h ARG 124 CO -0.00 0.02 0.86 1.57 -1.51 0.00 0.00 179.97 180.90 2k4k h LYS 125 N 0.02 0.00 0.00 0.20 2.10 -1.71 -1.10 116.57 116.09 2k4k h LYS 125 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 2k4k h LYS 125 Cb 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 2k4k h LYS 125 CO -0.01 0.00 0.00 0.22 -2.00 0.00 0.00 179.45 177.66 2k4k h ASP 126 N 0.00 0.00 -3.68 7.07 3.58 -1.59 -3.46 116.42 118.35 2k4k h ASP 126 Ca 0.30 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.21 2k4k h ASP 126 Cb 2.01 0.00 0.20 0.00 1.72 0.00 0.00 39.33 43.26 2k4k h ASP 126 CO -0.00 0.00 -0.20 0.00 -2.88 0.00 0.00 179.24 176.15 2k4k n LEU 127 N -2.54 1.64 -3.70 2.28 -0.00 -0.42 -5.06 117.00 109.20 2k4k n LEU 127 Ca -0.01 0.46 -0.13 0.00 -0.00 0.00 0.00 56.01 56.33 2k4k n LEU 127 Cb 0.09 -1.32 -0.07 0.00 -0.00 0.00 0.00 43.42 42.12 2k4k n LEU 127 CO 0.15 -2.84 0.10 -0.51 -0.00 0.00 0.00 177.39 174.29 2k4k s ILE 128 N -2.26 0.06 0.11 1.47 2.07 -1.26 -5.18 121.20 116.22 2k4k s ILE 128 Ca 0.64 -0.52 -0.10 0.00 -1.41 0.00 0.00 60.65 59.26 2k4k s ILE 128 Cb -0.26 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.43 2k4k s ILE 128 CO 0.60 -0.28 0.25 -1.59 -1.91 0.00 0.00 174.94 172.00 2k4k s LYS 129 N -2.29 0.96 0.00 3.50 0.00 -1.26 -5.27 119.74 115.38 2k4k s LYS 129 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 55.97 54.94 2k4k s LYS 129 Cb -0.01 0.37 0.00 0.00 0.00 0.00 0.00 37.83 38.19 2k4k s LYS 129 CO -0.01 -0.33 0.42 1.17 0.00 0.00 0.00 175.35 176.60