#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpu h SER 2 N 0.00 0.00 -2.17 7.83 0.87 -2.04 -3.45 113.55 114.59 2jpu h SER 2 Ca 0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 2jpu h SER 2 Cb 0.00 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.01 2jpu h SER 2 CO 0.00 0.87 -0.02 0.27 -0.53 0.00 0.00 176.83 177.42 2jpu s ILE 3 N -2.84 2.50 -0.59 2.23 -4.36 -1.26 -4.68 121.20 112.19 2jpu s ILE 3 Ca 0.01 -0.70 -0.03 0.00 -0.26 0.00 0.00 60.65 59.67 2jpu s ILE 3 Cb 0.10 -2.80 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 2jpu s ILE 3 CO 0.80 0.00 0.52 -1.20 0.24 0.00 0.00 174.94 175.30 2jpu n SER 4 N -2.43 -4.75 -4.10 4.36 7.64 -1.26 -5.04 113.62 108.04 2jpu n SER 4 Ca 0.11 -0.38 -0.30 0.00 1.01 0.00 0.00 58.87 59.31 2jpu n SER 4 Cb 0.60 -3.25 0.22 0.00 -1.01 0.00 0.00 64.21 60.77 2jpu n SER 4 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jpu s THR 5 N -3.21 1.74 0.35 0.44 -4.23 -1.26 -4.65 115.64 104.83 2jpu s THR 5 Ca 0.25 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.81 2jpu s THR 5 Cb -0.03 -2.52 0.29 0.00 1.34 0.00 0.00 72.50 71.58 2jpu s THR 5 CO 0.43 0.00 1.95 0.28 -0.54 0.00 0.00 174.62 176.74 2jpu h SER 6 N -2.33 0.69 -0.02 3.99 0.02 -1.97 0.68 113.55 114.61 2jpu h SER 6 Ca -0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2jpu h SER 6 Cb 1.30 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 2jpu h SER 6 CO 0.42 0.44 0.01 0.00 -1.14 0.00 0.00 176.83 176.56 2jpu h ALA 7 N 1.60 0.03 -0.91 3.77 0.00 -1.89 -1.13 119.26 120.73 2jpu h ALA 7 Ca 0.32 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2jpu h ALA 7 Cb 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2jpu h ALA 7 CO -0.11 -0.41 0.59 0.93 0.00 0.00 0.00 179.25 180.25 2jpu h GLU 8 N -0.10 1.20 0.38 0.00 5.08 -1.66 -0.40 114.58 119.10 2jpu h GLU 8 Ca 0.01 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2jpu h GLU 8 Cb 0.13 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2jpu h GLU 8 CO -0.00 0.81 -0.18 0.28 -1.00 0.00 0.00 179.01 178.91 2jpu h VAL 9 N 1.24 0.63 -0.21 3.13 2.07 -0.68 -0.65 116.25 121.77 2jpu h VAL 9 Ca 0.33 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.67 2jpu h VAL 9 Cb -0.12 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2jpu h VAL 9 CO -0.07 0.02 -0.17 1.88 0.02 0.00 0.00 177.57 179.25 2jpu h TYR 10 N -0.58 0.39 -0.71 1.57 -1.99 -1.10 -0.03 116.97 114.52 2jpu h TYR 10 Ca -0.05 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.56 2jpu h TYR 10 Cb 0.43 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 39.03 2jpu h TYR 10 CO -0.03 0.52 0.21 -0.92 -0.00 0.00 0.00 178.16 177.93 2jpu h TYR 11 N 0.33 1.16 -0.37 4.88 3.20 -0.92 0.96 116.97 126.20 2jpu h TYR 11 Ca 0.06 -0.12 -0.14 0.00 3.14 0.00 0.00 58.73 61.67 2jpu h TYR 11 Cb 0.50 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2jpu h TYR 11 CO 0.01 0.92 -0.33 1.49 -1.64 0.00 0.00 178.16 178.61 2jpu h GLU 12 N 1.07 0.84 -0.23 1.82 4.81 -0.30 -0.55 114.58 122.04 2jpu h GLU 12 Ca 0.23 -0.41 -0.09 0.00 -0.13 0.00 0.00 59.36 58.96 2jpu h GLU 12 Cb 0.32 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2jpu h GLU 12 CO -0.00 1.04 -0.25 0.93 -0.73 0.00 0.00 179.01 180.00 2jpu h GLU 13 N 0.70 0.43 -0.31 1.92 5.08 -0.74 -0.16 114.58 121.51 2jpu h GLU 13 Ca 0.07 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2jpu h GLU 13 Cb 0.89 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2jpu h GLU 13 CO 0.08 0.65 0.09 0.00 -1.00 0.00 0.00 179.01 178.83 2jpu h ALA 14 N 1.35 0.41 -0.99 3.43 0.00 -0.48 -1.91 119.26 121.07 2jpu h ALA 14 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jpu h ALA 14 Cb 0.65 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2jpu h ALA 14 CO 0.05 0.06 0.65 0.93 0.00 0.00 0.00 179.25 180.94 2jpu h GLU 15 N 0.34 1.28 0.27 0.00 4.39 -0.75 0.34 114.58 120.46 2jpu h GLU 15 Ca 0.10 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2jpu h GLU 15 Cb 0.27 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2jpu h GLU 15 CO -0.00 0.85 -0.18 0.93 -1.16 0.00 0.00 179.01 179.45 2jpu h GLU 16 N 1.32 -0.42 -0.10 2.33 4.39 -0.83 -1.71 114.58 119.56 2jpu h GLU 16 Ca 0.37 0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.96 2jpu h GLU 16 Cb -0.13 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2jpu h GLU 16 CO -0.09 -0.28 -0.55 0.74 -1.16 0.00 0.00 179.01 177.67 2jpu h PHE 17 N -0.44 0.37 -1.00 4.33 -1.00 -1.08 -0.23 116.94 117.89 2jpu h PHE 17 Ca -0.02 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.65 2jpu h PHE 17 Cb 0.37 -0.07 -0.05 0.00 3.61 0.00 0.00 35.95 39.81 2jpu h PHE 17 CO -0.10 0.78 0.66 1.25 -1.61 0.00 0.00 178.31 179.29 2jpu h LEU 18 N 0.23 1.12 -0.04 1.54 5.85 -0.21 -1.40 115.31 122.40 2jpu h LEU 18 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jpu h LEU 18 Cb 1.04 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2jpu h LEU 18 CO 0.09 0.79 -0.43 -1.20 -0.34 0.00 0.00 178.44 177.34 2jpu n SER 19 N -4.41 0.49 0.08 1.25 7.64 -0.65 -3.63 113.62 114.38 2jpu n SER 19 Ca 0.13 -0.24 -0.06 0.00 1.01 0.00 0.00 58.87 59.71 2jpu n SER 19 Cb 0.06 0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 2jpu n SER 19 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jpu h LYS 20 N 0.09 0.00 0.00 1.43 1.63 0.05 -3.47 116.57 116.30 2jpu h LYS 20 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jpu h LYS 20 Cb 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2jpu h LYS 20 CO 0.00 0.91 0.00 0.41 -3.45 0.00 0.00 179.45 177.32 2jpu n GLY 21 N 1.11 0.63 3.06 5.01 0.00 -0.96 -5.07 105.19 108.97 2jpu n GLY 21 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2jpu n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jpu s ASP 22 N -0.31 4.31 0.23 1.61 -1.08 -0.92 -4.96 116.67 115.55 2jpu s ASP 22 Ca 0.00 -1.33 0.13 0.00 -0.52 0.00 0.00 52.55 50.83 2jpu s ASP 22 Cb 0.00 -1.52 -0.02 0.00 -1.46 0.00 0.00 42.92 39.92 2jpu s ASP 22 CO 0.00 -0.18 1.39 -0.07 0.52 0.00 0.00 175.17 176.83 2jpu h LEU 23 N 7.80 0.00 0.20 -1.34 3.38 -1.87 -3.29 115.31 120.18 2jpu h LEU 23 Ca -0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2jpu h LEU 23 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2jpu h LEU 23 CO 0.47 0.65 -0.10 0.58 0.09 0.00 0.00 178.44 180.14 2jpu h VAL 24 N 0.00 0.80 0.00 1.22 2.07 -1.93 -2.69 116.25 115.72 2jpu h VAL 24 Ca -0.01 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 2jpu h VAL 24 Cb 1.51 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2jpu h VAL 24 CO 0.08 0.19 -0.17 1.56 0.02 0.00 0.00 177.57 179.26 2jpu h GLN 25 N -0.83 0.00 -0.25 1.57 4.20 -1.96 -1.68 115.11 116.16 2jpu h GLN 25 Ca -0.03 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 2jpu h GLN 25 Cb 0.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2jpu h GLN 25 CO 0.05 0.17 -0.22 0.00 -0.67 0.00 0.00 178.83 178.15 2jpu h ALA 26 N 1.83 1.16 -0.00 3.87 0.00 -1.62 -3.06 119.26 121.45 2jpu h ALA 26 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2jpu h ALA 26 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jpu h ALA 26 CO 0.02 0.53 -0.22 0.00 0.00 0.00 0.00 179.25 179.58 2jpu h GLU 28 N 0.00 0.59 -0.06 0.00 4.81 -1.59 -0.39 114.58 117.95 2jpu h GLU 28 Ca -0.00 -0.21 -0.20 0.00 -0.13 0.00 0.00 59.36 58.82 2jpu h GLU 28 Cb 0.40 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 2jpu h GLU 28 CO 0.03 0.74 -0.81 0.87 -0.73 0.00 0.00 179.01 179.11 2jpu h LYS 29 N 0.53 0.44 -0.40 1.92 6.56 -1.37 -1.37 116.57 122.87 2jpu h LYS 29 Ca 0.08 -0.40 -0.00 0.00 -1.06 0.00 0.00 60.65 59.27 2jpu h LYS 29 Cb 0.62 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.36 2jpu h LYS 29 CO 0.04 1.05 0.24 1.88 -2.06 0.00 0.00 179.45 180.60 2jpu h TYR 30 N 0.28 0.53 -0.12 -1.35 0.05 -0.94 0.18 116.97 115.60 2jpu h TYR 30 Ca -0.05 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 2jpu h TYR 30 Cb 1.42 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 2jpu h TYR 30 CO 0.05 0.38 0.07 -0.92 -1.05 0.00 0.00 178.16 176.70 2jpu h TYR 31 N 0.53 0.16 0.00 4.88 3.20 -1.01 -1.72 116.97 123.02 2jpu h TYR 31 Ca 0.14 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 2jpu h TYR 31 Cb 0.00 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2jpu h TYR 31 CO -0.03 0.16 -0.45 0.87 -1.64 0.00 0.00 178.16 177.07 2jpu h LYS 32 N 0.12 0.00 -0.63 1.82 1.57 -1.11 0.68 116.57 119.02 2jpu h LYS 32 Ca 0.04 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2jpu h LYS 32 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2jpu h LYS 32 CO -0.01 0.45 0.11 0.00 -0.57 0.00 0.00 179.45 179.43 2jpu h ALA 33 N 1.55 0.83 -0.49 3.86 0.00 -0.44 -0.92 119.26 123.65 2jpu h ALA 33 Ca -0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2jpu h ALA 33 Cb 0.85 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2jpu h ALA 33 CO 0.06 0.58 -0.17 0.00 0.00 0.00 0.00 179.25 179.71 2jpu h ALA 34 N 1.03 0.77 -0.13 0.00 0.00 -0.71 -2.20 119.26 118.02 2jpu h ALA 34 Ca 0.19 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2jpu h ALA 34 Cb 0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2jpu h ALA 34 CO 0.01 0.66 -0.07 1.49 0.00 0.00 0.00 179.25 181.35 2jpu h GLU 35 N 0.84 -0.06 -0.63 0.00 4.81 -0.61 -0.93 114.58 118.01 2jpu h GLU 35 Ca 0.12 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2jpu h GLU 35 Cb 0.73 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 2jpu h GLU 35 CO 0.06 -0.04 0.42 0.93 -0.73 0.00 0.00 179.01 179.64 2jpu h GLU 36 N -0.06 0.83 -0.78 1.92 4.39 -1.09 -0.80 114.58 118.98 2jpu h GLU 36 Ca 0.07 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.76 2jpu h GLU 36 Cb 0.17 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 2jpu h GLU 36 CO -0.17 0.55 0.49 0.00 -1.16 0.00 0.00 179.01 178.72 2jpu h ALA 37 N 1.23 1.03 -0.26 3.43 0.00 -0.98 0.94 119.26 124.65 2jpu h ALA 37 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jpu h ALA 37 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2jpu h ALA 37 CO -0.05 0.28 0.16 0.82 0.00 0.00 0.00 179.25 180.46 2jpu h ILE 38 N 0.94 1.09 -0.68 0.00 1.08 -0.66 -0.26 117.51 119.03 2jpu h ILE 38 Ca 0.32 -0.22 0.07 0.00 -0.39 0.00 0.00 64.86 64.64 2jpu h ILE 38 Cb 0.05 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 34.50 2jpu h ILE 38 CO -0.13 0.09 0.36 0.11 -0.69 0.00 0.00 178.15 177.90 2jpu h LYS 39 N 0.33 0.63 -0.52 2.37 1.57 -0.24 0.17 116.57 120.88 2jpu h LYS 39 Ca 0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2jpu h LYS 39 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2jpu h LYS 39 CO -0.02 0.42 0.31 -0.07 -0.57 0.00 0.00 179.45 179.52 2jpu h LEU 40 N 0.65 0.63 -0.85 2.94 4.07 -0.60 -3.06 115.31 119.10 2jpu h LEU 40 Ca 0.31 -0.07 -0.10 0.00 0.08 0.00 0.00 57.88 58.11 2jpu h LEU 40 Cb 0.24 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 2jpu h LEU 40 CO -0.21 0.52 -0.16 -0.07 -1.08 0.00 0.00 178.44 177.43 2jpu h LEU 41 N 0.70 0.67 -0.60 1.67 3.38 0.23 -0.40 115.31 120.96 2jpu h LEU 41 Ca 0.19 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2jpu h LEU 41 Cb 0.01 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 2jpu h LEU 41 CO -0.03 0.85 0.26 0.58 0.09 0.00 0.00 178.44 180.18 2jpu h VAL 42 N 0.61 0.84 -0.12 1.22 2.07 -0.63 0.31 116.25 120.54 2jpu h VAL 42 Ca 0.10 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2jpu h VAL 42 Cb 0.62 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2jpu h VAL 42 CO 0.04 0.09 -0.20 0.40 0.02 0.00 0.00 177.57 177.92 2jpu h ILE 43 N 0.47 1.37 0.01 4.57 1.08 -1.37 -0.47 117.51 123.17 2jpu h ILE 43 Ca 0.29 -1.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.33 2jpu h ILE 43 Cb 0.31 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 2jpu h ILE 43 CO -0.26 0.42 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.53 2jpu h GLU 44 N -0.06 -0.01 0.00 2.37 4.22 -0.70 -2.68 114.58 117.72 2jpu h GLU 44 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2jpu h GLU 44 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2jpu h GLU 44 CO 0.04 0.17 0.00 0.09 -2.18 0.00 0.00 179.01 177.14 2jpu n ASN 45 N -5.01 0.00 -2.75 1.04 5.03 0.11 -4.95 115.26 108.72 2jpu n ASN 45 Ca -0.08 0.42 -0.05 0.00 0.87 0.00 0.00 54.58 55.75 2jpu n ASN 45 Cb 0.12 -0.47 0.01 0.00 -1.02 0.00 0.00 39.78 38.41 2jpu n ASN 45 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2jpu n ASN 46 N -1.47 -7.21 -4.31 6.41 5.15 -0.69 -4.93 115.26 108.20 2jpu n ASN 46 Ca 0.08 0.29 -0.44 0.00 -0.60 0.00 0.00 54.58 53.90 2jpu n ASN 46 Cb 0.32 -4.86 0.00 0.00 -0.53 0.00 0.00 39.78 34.71 2jpu n ASN 46 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2jpu n LEU 47 N -0.80 5.61 -0.14 1.20 4.77 -0.27 -4.86 117.00 122.51 2jpu n LEU 47 Ca 0.07 -4.86 0.01 0.00 -0.03 0.00 0.00 56.01 51.20 2jpu n LEU 47 Cb 0.44 -1.50 0.28 0.00 -2.33 0.00 0.00 43.42 40.31 2jpu n LEU 47 CO 0.44 1.20 1.16 0.50 -1.33 0.00 0.00 177.39 179.36 2jpu h LYS 48 N 6.60 0.83 0.00 3.23 3.64 -1.92 -0.39 116.57 128.56 2jpu h LYS 48 Ca 0.24 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2jpu h LYS 48 Cb 0.83 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2jpu h LYS 48 CO 1.16 0.59 -0.10 0.93 -2.27 0.00 0.00 179.45 179.77 2jpu h GLU 49 N 0.84 0.00 0.18 1.90 4.39 -1.99 0.71 114.58 120.61 2jpu h GLU 49 Ca 0.22 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.57 2jpu h GLU 49 Cb -0.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2jpu h GLU 49 CO -0.04 0.10 -1.72 0.82 -1.16 0.00 0.00 179.01 177.01 2jpu h ILE 50 N 0.00 0.97 -0.22 3.13 1.08 -1.53 -3.19 117.51 117.75 2jpu h ILE 50 Ca -0.00 -2.56 -0.13 0.00 -0.39 0.00 0.00 64.86 61.78 2jpu h ILE 50 Cb 0.48 2.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 2jpu h ILE 50 CO 0.01 0.85 -0.40 0.71 -0.69 0.00 0.00 178.15 178.63 2jpu h THR 51 N 0.10 1.30 -0.88 -0.27 1.35 -0.95 -1.58 112.91 111.99 2jpu h THR 51 Ca -0.33 -1.56 0.07 0.00 -0.55 0.00 0.00 66.41 64.04 2jpu h THR 51 Cb 2.09 1.57 -0.06 0.00 -1.73 0.00 0.00 68.15 70.02 2jpu h THR 51 CO 0.18 0.49 0.57 0.78 -0.25 0.00 0.00 175.52 177.29 2jpu h ASN 52 N 0.43 0.87 0.17 5.36 2.35 -0.98 0.33 115.58 124.10 2jpu h ASN 52 Ca 0.04 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.61 2jpu h ASN 52 Cb 0.88 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 2jpu h ASN 52 CO 0.08 0.55 -0.69 0.78 -1.65 0.00 0.00 177.43 176.50 2jpu h ASN 53 N 0.98 0.55 1.37 5.81 2.35 -1.39 -3.16 115.58 122.09 2jpu h ASN 53 Ca 0.38 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2jpu h ASN 53 Cb 0.22 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2jpu h ASN 53 CO -0.14 1.08 -0.64 1.62 -1.65 0.00 0.00 177.43 177.69 2jpu h VAL 54 N 0.33 0.15 0.00 2.81 3.04 -0.84 -3.19 116.25 118.56 2jpu h VAL 54 Ca -0.02 -1.25 -0.01 0.00 -1.01 0.00 0.00 66.70 64.42 2jpu h VAL 54 Cb 1.26 1.84 -0.00 0.00 -2.01 0.00 0.00 31.29 32.37 2jpu h VAL 54 CO 0.12 0.09 -0.03 0.50 -1.01 0.00 0.00 177.57 177.24 2jpu h LYS 55 N 0.00 0.00 -0.47 4.17 3.64 -0.32 -1.22 116.57 122.38 2jpu h LYS 55 Ca -0.02 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2jpu h LYS 55 Cb 1.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2jpu h LYS 55 CO 0.01 0.03 -0.05 -0.97 -2.27 0.00 0.00 179.45 176.20 2jpu h ASN 56 N 0.00 0.78 -4.62 4.20 -0.73 -1.60 -3.44 115.58 110.17 2jpu h ASN 56 Ca -0.00 -0.21 -0.18 0.00 1.87 0.00 0.00 56.30 57.78 2jpu h ASN 56 Cb 0.14 -0.21 0.02 0.00 0.27 0.00 0.00 38.32 38.54 2jpu h ASN 56 CO 0.00 0.88 0.00 0.29 -0.37 0.00 0.00 177.43 178.23 2jpu n LYS 57 N -4.19 0.65 -0.00 6.67 4.76 -0.46 -5.04 118.16 120.55 2jpu n LYS 57 Ca 0.02 -1.10 0.08 0.00 -2.87 0.00 0.00 58.31 54.44 2jpu n LYS 57 Cb 0.33 -0.15 -0.11 0.00 -1.84 0.00 0.00 35.03 33.26 2jpu n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jpu n GLY 58 N 2.29 -0.65 3.33 0.72 0.00 -1.26 -4.99 105.19 104.63 2jpu n GLY 58 Ca 0.06 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 2jpu n GLY 58 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jpu s ARG 59 N -2.81 1.50 0.38 1.61 6.06 -1.26 -5.11 118.95 119.33 2jpu s ARG 59 Ca 0.02 -1.68 -0.22 0.00 -2.50 0.00 0.00 55.73 51.34 2jpu s ARG 59 Cb 0.12 0.34 -0.10 0.00 0.06 0.00 0.00 34.95 35.37 2jpu s ARG 59 CO 0.70 -0.56 0.93 -1.58 -2.50 0.00 0.00 175.30 172.29 2jpu s TRP 60 N -3.79 3.46 0.17 5.12 0.52 -1.26 -4.96 118.94 118.20 2jpu s TRP 60 Ca 0.35 1.65 0.09 0.00 0.02 0.00 0.00 56.10 58.21 2jpu s TRP 60 Cb 0.03 -2.86 -0.04 0.00 -1.15 0.00 0.00 33.47 29.46 2jpu s TRP 60 CO 0.17 0.02 -0.19 0.21 0.02 0.00 0.00 176.95 177.17 2jpu s LYS 61 N -2.75 1.32 0.12 4.98 2.47 -1.26 -5.06 119.74 119.57 2jpu s LYS 61 Ca 0.57 -1.43 -0.22 0.00 -1.56 0.00 0.00 55.97 53.33 2jpu s LYS 61 Cb -0.13 -1.44 -0.05 0.00 -1.46 0.00 0.00 37.83 34.76 2jpu s LYS 61 CO 0.17 0.30 1.69 0.66 0.16 0.00 0.00 175.35 178.33 2jpu h SER 62 N 3.24 -0.32 0.55 1.43 4.64 -1.99 -1.09 113.55 120.00 2jpu h SER 62 Ca -0.43 0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 60.91 2jpu h SER 62 Cb 1.21 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 2jpu h SER 62 CO 0.50 -0.14 -0.22 1.05 -0.87 0.00 0.00 176.83 177.15 2jpu h GLU 63 N -0.13 0.00 -0.44 4.77 9.09 -1.98 -0.05 114.58 125.84 2jpu h GLU 63 Ca 0.07 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.41 2jpu h GLU 63 Cb 0.23 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.32 2jpu h GLU 63 CO -0.18 0.22 -0.01 -0.97 0.05 0.00 0.00 179.01 178.13 2jpu h ASN 64 N 0.00 0.77 -0.45 3.06 -0.73 -1.73 0.11 115.58 116.62 2jpu h ASN 64 Ca -0.00 -0.31 -0.11 0.00 1.87 0.00 0.00 56.30 57.75 2jpu h ASN 64 Cb 0.55 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 2jpu h ASN 64 CO 0.03 0.90 -0.12 -0.07 -0.37 0.00 0.00 177.43 177.79 2jpu h LEU 65 N 0.63 0.92 -0.72 0.34 3.38 -0.56 -1.53 115.31 117.77 2jpu h LEU 65 Ca 0.12 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2jpu h LEU 65 Cb 0.50 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2jpu h LEU 65 CO 0.02 1.05 0.13 0.15 0.09 0.00 0.00 178.44 179.88 2jpu h PHE 66 N 0.82 1.16 -0.63 1.13 3.57 -0.82 -0.95 116.94 121.22 2jpu h PHE 66 Ca 0.13 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2jpu h PHE 66 Cb 0.66 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2jpu h PHE 66 CO 0.04 0.97 0.24 -0.22 -2.23 0.00 0.00 178.31 177.11 2jpu h LYS 67 N 1.03 0.95 -0.64 1.11 3.11 -0.53 0.11 116.57 121.71 2jpu h LYS 67 Ca 0.21 -0.18 -0.04 0.00 -2.81 0.00 0.00 60.65 57.83 2jpu h LYS 67 Cb 0.42 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 2jpu h LYS 67 CO 0.01 0.81 0.26 0.00 -2.81 0.00 0.00 179.45 177.72 2jpu h ALA 68 N 1.09 0.84 0.00 5.00 0.00 -0.98 -2.67 119.26 122.54 2jpu h ALA 68 Ca 0.21 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2jpu h ALA 68 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jpu h ALA 68 CO -0.01 0.45 -0.44 0.77 0.00 0.00 0.00 179.25 180.02 2jpu h SER 69 N 0.90 0.00 -0.79 0.00 0.02 -0.88 -2.92 113.55 109.88 2jpu h SER 69 Ca 0.22 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 2jpu h SER 69 Cb 0.20 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 2jpu h SER 69 CO -0.02 0.44 0.51 0.11 -1.14 0.00 0.00 176.83 176.73 2jpu h LYS 70 N 0.00 0.97 0.00 3.45 1.79 -0.44 -2.43 116.57 119.91 2jpu h LYS 70 Ca -0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2jpu h LYS 70 Cb 0.99 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2jpu h LYS 70 CO 0.06 0.64 0.00 1.28 -1.08 0.00 0.00 179.45 180.35 2jpu n LEU 71 N -4.59 0.00 -0.32 2.94 4.77 -1.10 -4.55 117.00 114.15 2jpu n LEU 71 Ca 0.09 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.03 2jpu n LEU 71 Cb 0.07 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2jpu n LEU 71 CO 0.34 -0.03 -0.04 0.18 -1.33 0.00 0.00 177.39 176.51 2jpu n LEU 72 N 0.00 0.19 0.24 2.23 4.77 -1.26 -4.66 117.00 118.51 2jpu n LEU 72 Ca 0.00 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2jpu n LEU 72 Cb 0.00 -1.97 0.54 0.00 -2.33 0.00 0.00 43.42 39.66 2jpu n LEU 72 CO 0.00 -0.71 0.87 -0.09 -1.33 0.00 0.00 177.39 176.13 2jpu h ARG 73 N 0.22 0.00 0.00 3.23 1.12 -1.80 0.66 114.38 117.81 2jpu h ARG 73 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 2jpu h ARG 73 Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.73 2jpu h ARG 73 CO 0.12 0.14 0.00 0.43 -3.11 0.00 0.00 179.97 177.56 2jpu n SER 74 N -3.30 0.04 -0.06 -3.80 7.64 -1.26 -3.78 113.62 109.10 2jpu n SER 74 Ca 0.00 0.51 -0.10 0.00 1.01 0.00 0.00 58.87 60.29 2jpu n SER 74 Cb 0.38 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 2jpu n SER 74 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jpu n ASN 75 N -1.54 1.62 -3.74 6.43 2.85 -0.22 -5.03 115.26 115.63 2jpu n ASN 75 Ca 0.05 0.26 -0.14 0.00 -0.11 0.00 0.00 54.58 54.64 2jpu n ASN 75 Cb 0.24 -0.61 -0.15 0.00 1.24 0.00 0.00 39.78 40.50 2jpu n ASN 75 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2jpu s ASN 76 N -6.13 0.09 0.45 1.20 3.84 0.06 -5.04 114.94 109.41 2jpu s ASN 76 Ca -0.22 0.26 0.24 0.00 0.21 0.00 0.00 52.86 53.36 2jpu s ASN 76 Cb 0.05 0.15 0.48 0.00 -0.55 0.00 0.00 41.25 41.38 2jpu s ASN 76 CO 0.31 -0.16 1.66 0.00 -2.79 0.00 0.00 177.10 176.12 2jpu h THR 77 N 6.16 0.00 0.00 -5.21 1.03 -1.80 -3.22 112.91 109.87 2jpu h THR 77 Ca -0.38 -0.93 0.00 0.00 -0.01 0.00 0.00 66.41 65.09 2jpu h THR 77 Cb 1.13 1.93 0.00 0.00 -1.07 0.00 0.00 68.15 70.14 2jpu h THR 77 CO 0.38 0.00 -0.34 -0.62 -0.01 0.00 0.00 175.52 174.93 2jpu n GLU 78 N -3.09 0.27 -0.07 0.00 1.02 -1.26 -4.32 120.64 113.20 2jpu n GLU 78 Ca 0.04 0.14 -0.10 0.00 -0.02 0.00 0.00 57.16 57.22 2jpu n GLU 78 Cb 0.50 -1.73 -0.04 0.00 -0.02 0.00 0.00 31.44 30.15 2jpu n GLU 78 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jpu h ILE 79 N 0.00 0.20 -0.61 -3.67 2.04 -1.86 0.32 117.51 113.92 2jpu h ILE 79 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2jpu h ILE 79 Cb 0.73 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2jpu h ILE 79 CO 0.00 0.00 0.40 1.55 0.00 0.00 0.00 178.15 180.10 2jpu h PRO 80 N -0.36 0.78 -0.19 2.37 0.13 -1.62 -1.84 132.00 131.27 2jpu h PRO 80 Ca 0.13 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.12 2jpu h PRO 80 Cb 0.57 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 2jpu h PRO 80 CO -0.47 0.52 -0.21 0.82 -0.23 0.00 0.00 178.00 178.42 2jpu h ILE 81 N 0.80 1.33 -0.31 -3.56 2.04 -1.30 -1.65 117.51 114.87 2jpu h ILE 81 Ca 0.23 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 2jpu h ILE 81 Cb -0.06 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2jpu h ILE 81 CO -0.05 0.42 0.05 -0.07 0.00 0.00 0.00 178.15 178.50 2jpu h LEU 82 N 0.15 0.50 -0.56 1.44 3.38 -0.18 0.36 115.31 120.40 2jpu h LEU 82 Ca 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2jpu h LEU 82 Cb 0.76 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2jpu h LEU 82 CO 0.05 0.64 0.33 -0.25 0.09 0.00 0.00 178.44 179.30 2jpu h TRP 83 N 0.35 0.74 -0.33 1.13 2.91 -1.38 -1.12 115.95 118.26 2jpu h TRP 83 Ca 0.09 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 2jpu h TRP 83 Cb 0.35 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 28.74 2jpu h TRP 83 CO 0.02 0.52 -0.02 -0.22 -1.03 0.00 0.00 178.44 177.71 2jpu h LYS 84 N 0.75 0.51 -0.45 2.65 3.11 -1.03 0.17 116.57 122.28 2jpu h LYS 84 Ca 0.20 -0.11 -0.10 0.00 -2.81 0.00 0.00 60.65 57.83 2jpu h LYS 84 Cb 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.15 2jpu h LYS 84 CO -0.04 0.56 -0.10 0.77 -2.81 0.00 0.00 179.45 177.83 2jpu h SER 85 N 0.49 0.86 -0.55 4.20 0.02 -0.37 -0.59 113.55 117.61 2jpu h SER 85 Ca 0.10 -0.36 -0.11 0.00 -0.84 0.00 0.00 61.79 60.59 2jpu h SER 85 Cb 0.35 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2jpu h SER 85 CO 0.01 1.02 -0.07 0.00 -1.14 0.00 0.00 176.83 176.65 2jpu h ALA 86 N 0.87 0.80 -0.77 3.77 0.00 -0.69 -2.60 119.26 120.65 2jpu h ALA 86 Ca 0.11 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.78 2jpu h ALA 86 Cb 0.64 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 2jpu h ALA 86 CO 0.04 0.67 0.42 2.35 0.00 0.00 0.00 179.25 182.73 2jpu h TRP 87 N 0.93 0.75 -0.88 0.00 2.91 -0.48 -2.50 115.95 116.68 2jpu h TRP 87 Ca 0.15 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.25 2jpu h TRP 87 Cb 0.64 -0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 29.00 2jpu h TRP 87 CO 0.04 0.30 0.56 1.15 -1.03 0.00 0.00 178.44 179.46 2jpu h THR 88 N 0.71 1.08 -0.68 2.65 2.02 -0.72 -1.81 112.91 116.16 2jpu h THR 88 Ca 0.37 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.22 2jpu h THR 88 Cb 0.35 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.67 2jpu h THR 88 CO -0.25 0.19 0.45 -0.07 0.37 0.00 0.00 175.52 176.21 2jpu h LEU 89 N 1.04 0.72 0.15 2.58 3.38 -1.31 0.45 115.31 122.32 2jpu h LEU 89 Ca 0.37 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 58.01 2jpu h LEU 89 Cb 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2jpu h LEU 89 CO -0.16 0.51 -1.63 -0.74 0.09 0.00 0.00 178.44 176.51 2jpu h HIS 90 N 0.84 0.57 -0.27 1.13 2.76 -1.48 -3.32 115.15 115.39 2jpu h HIS 90 Ca 0.27 -0.42 -0.18 0.00 -2.20 0.00 0.00 60.37 57.84 2jpu h HIS 90 Cb 0.02 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 2jpu h HIS 90 CO -0.00 1.50 -0.54 0.28 -1.30 0.00 0.00 177.93 177.87 2jpu h VAL 91 N 0.09 1.28 -0.44 5.26 2.07 -1.01 -3.06 116.25 120.45 2jpu h VAL 91 Ca -0.29 -1.74 -0.18 0.00 0.82 0.00 0.00 66.70 65.31 2jpu h VAL 91 Cb 2.06 1.65 -0.11 0.00 -1.52 0.00 0.00 31.29 33.37 2jpu h VAL 91 CO 0.17 0.56 0.23 -0.62 0.02 0.00 0.00 177.57 177.93 2jpu n GLU 92 N -4.00 2.04 -0.24 1.57 -0.58 0.12 -4.28 120.64 115.27 2jpu n GLU 92 Ca -0.04 -1.53 -0.03 0.00 -0.42 0.00 0.00 57.16 55.14 2jpu n GLU 92 Cb 0.62 -1.68 0.08 0.00 -0.57 0.00 0.00 31.44 29.89 2jpu n GLU 92 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2jpu h GLY 93 N 3.11 1.00 -1.80 0.62 0.00 -1.63 -3.46 103.07 100.92 2jpu h GLY 93 Ca 0.22 -0.32 -0.37 0.00 0.00 0.00 0.00 47.33 46.87 2jpu h GLY 93 CO 0.46 0.25 -0.41 0.33 0.00 0.00 0.00 176.54 177.18 2jpu n PHE 94 N -4.69 -0.47 0.00 5.60 7.35 -1.26 -3.11 117.46 120.88 2jpu n PHE 94 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 2jpu n PHE 94 Cb 0.11 -3.36 0.00 0.00 0.35 0.00 0.00 39.48 36.57 2jpu n PHE 94 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 2jpu n HIS 95 N -3.31 0.00 -2.89 -5.13 -0.00 -1.26 -4.78 115.22 97.85 2jpu n HIS 95 Ca -0.20 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.08 2jpu n HIS 95 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.61 2jpu n HIS 95 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2jpu s GLU 96 N 0.00 3.90 -0.72 1.57 -1.05 -1.18 -4.95 118.70 116.27 2jpu s GLU 96 Ca 0.00 -2.20 -0.26 0.00 -0.15 0.00 0.00 54.97 52.36 2jpu s GLU 96 Cb 0.00 -5.08 -0.12 0.00 -0.44 0.00 0.00 34.13 28.50 2jpu s GLU 96 CO 0.00 -1.84 2.39 -0.51 0.95 0.00 0.00 175.26 176.26 2jpu s LEU 97 N 2.33 3.00 -0.71 1.83 2.01 -1.22 -4.79 118.68 121.13 2jpu s LEU 97 Ca 0.41 0.27 0.02 0.00 0.01 0.00 0.00 54.13 54.85 2jpu s LEU 97 Cb -0.03 -2.54 0.35 0.00 0.01 0.00 0.00 46.19 43.99 2jpu s LEU 97 CO -0.03 -3.62 1.38 -1.20 1.01 0.00 0.00 176.35 173.89 2jpu n SER 98 N 17.90 5.75 -4.62 2.29 7.64 -1.26 -4.97 113.62 136.35 2jpu n SER 98 Ca 0.44 -3.72 -0.43 0.00 1.01 0.00 0.00 58.87 56.17 2jpu n SER 98 Cb 0.46 -0.77 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 2jpu n SER 98 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jpu s LEU 99 N -3.81 3.82 0.36 -3.43 1.43 -1.26 -5.01 118.68 110.79 2jpu s LEU 99 Ca 0.47 0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 54.47 2jpu s LEU 99 Cb 0.31 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 2jpu s LEU 99 CO -0.19 -1.06 0.60 0.20 0.23 0.00 0.00 176.35 176.13 2jpu s ASN 100 N 2.26 6.31 0.45 2.29 0.01 -1.26 -4.62 114.94 120.38 2jpu s ASN 100 Ca 0.50 0.59 0.13 0.00 -0.71 0.00 0.00 52.86 53.37 2jpu s ASN 100 Cb -0.12 -2.09 1.01 0.00 0.41 0.00 0.00 41.25 40.45 2jpu s ASN 100 CO 0.22 -0.33 2.02 -0.08 -1.51 0.00 0.00 177.10 177.42 2jpu h GLU 101 N 0.81 0.09 -0.61 -0.60 4.81 -1.98 -2.36 114.58 114.73 2jpu h GLU 101 Ca -0.49 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 58.85 2jpu h GLU 101 Cb 1.21 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.48 2jpu h GLU 101 CO 0.62 0.19 0.08 -0.22 -0.73 0.00 0.00 179.01 178.96 2jpu h LYS 102 N 0.08 0.19 -0.04 1.92 1.63 -2.00 0.34 116.57 118.69 2jpu h LYS 102 Ca 0.02 -0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.58 2jpu h LYS 102 Cb 0.23 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2jpu h LYS 102 CO 0.01 0.13 -0.89 0.93 -3.45 0.00 0.00 179.45 176.18 2jpu h GLU 103 N 0.20 0.54 -0.79 1.90 4.39 -1.84 -3.28 114.58 115.70 2jpu h GLU 103 Ca 0.33 -0.52 0.02 0.00 0.34 0.00 0.00 59.36 59.52 2jpu h GLU 103 Cb 0.51 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 2jpu h GLU 103 CO -0.46 1.15 0.51 0.28 -1.16 0.00 0.00 179.01 179.34 2jpu h VAL 104 N 0.33 1.16 -0.58 3.13 2.07 -0.78 -1.73 116.25 119.85 2jpu h VAL 104 Ca -0.08 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.17 2jpu h VAL 104 Cb 1.52 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2jpu h VAL 104 CO 0.16 0.19 0.39 0.11 0.02 0.00 0.00 177.57 178.44 2jpu h LYS 105 N 1.03 0.46 0.25 1.57 1.57 -0.44 0.36 116.57 121.37 2jpu h LYS 105 Ca 0.30 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2jpu h LYS 105 Cb -0.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2jpu h LYS 105 CO -0.09 0.30 -0.12 0.87 -0.57 0.00 0.00 179.45 179.84 2jpu h LYS 106 N 0.47 -0.33 -0.48 3.15 1.57 -1.48 -3.25 116.57 116.23 2jpu h LYS 106 Ca 0.26 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 2jpu h LYS 106 Cb 0.41 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2jpu h LYS 106 CO -0.07 -0.09 0.24 -0.07 -0.57 0.00 0.00 179.45 178.88 2jpu h LEU 107 N -1.04 0.59 -0.85 2.94 -0.00 -0.95 -1.02 115.31 114.97 2jpu h LEU 107 Ca -0.03 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.77 2jpu h LEU 107 Cb 0.39 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 40.86 2jpu h LEU 107 CO 0.06 0.50 0.44 0.50 -0.00 0.00 0.00 178.44 179.93 2jpu h LYS 108 N 0.66 1.21 -0.26 1.13 3.64 -0.43 0.39 116.57 122.91 2jpu h LYS 108 Ca 0.17 -0.16 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 2jpu h LYS 108 Cb 0.06 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2jpu h LYS 108 CO -0.02 0.91 -0.47 0.93 -2.27 0.00 0.00 179.45 178.52 2jpu h GLU 109 N 1.20 0.70 -0.27 1.90 4.39 -1.30 0.60 114.58 121.82 2jpu h GLU 109 Ca 0.30 -0.40 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 2jpu h GLU 109 Cb 0.07 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2jpu h GLU 109 CO -0.04 1.02 -0.42 -0.44 -1.16 0.00 0.00 179.01 177.97 2jpu h ASP 110 N 0.56 0.83 0.08 1.42 3.32 -0.70 -1.57 116.42 120.35 2jpu h ASP 110 Ca 0.03 -0.52 -0.10 0.00 0.02 0.00 0.00 57.03 56.46 2jpu h ASP 110 Cb 1.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2jpu h ASP 110 CO 0.10 1.19 -0.34 0.58 -1.72 0.00 0.00 179.24 179.04 2jpu h VAL 111 N 0.49 1.29 -0.48 -1.35 2.07 -0.24 -2.51 116.25 115.52 2jpu h VAL 111 Ca 0.02 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.15 2jpu h VAL 111 Cb 1.01 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 2jpu h VAL 111 CO 0.10 0.43 0.32 -0.09 0.02 0.00 0.00 177.57 178.35 2jpu h ARG 112 N 0.32 0.61 0.24 1.57 2.43 -0.59 0.61 114.38 119.56 2jpu h ARG 112 Ca 0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2jpu h ARG 112 Cb 0.75 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2jpu h ARG 112 CO 0.06 0.40 -0.11 0.87 -1.51 0.00 0.00 179.97 179.68 2jpu h LYS 113 N 0.62 -0.30 -0.02 0.20 1.57 -0.85 -2.68 116.57 115.11 2jpu h LYS 113 Ca 0.18 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2jpu h LYS 113 Cb -0.03 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2jpu h LYS 113 CO -0.04 -0.17 0.01 -0.07 -0.57 0.00 0.00 179.45 178.61 2jpu h LEU 114 N -0.36 0.03 0.17 2.94 4.07 -1.08 -1.26 115.31 119.81 2jpu h LEU 114 Ca -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 2jpu h LEU 114 Cb 0.27 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2jpu h LEU 114 CO 0.05 0.13 -0.08 0.58 -1.08 0.00 0.00 178.44 178.05 2jpu h VAL 115 N -0.08 0.91 0.00 1.22 2.07 -0.99 0.83 116.25 120.21 2jpu h VAL 115 Ca 0.01 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2jpu h VAL 115 Cb 0.11 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2jpu h VAL 115 CO -0.00 0.08 -0.07 0.40 0.02 0.00 0.00 177.57 178.00 2jpu h ILE 116 N -0.38 1.05 0.08 4.57 2.04 -1.50 -1.43 117.51 121.94 2jpu h ILE 116 Ca -0.02 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 2jpu h ILE 116 Cb 0.30 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2jpu h ILE 116 CO 0.04 0.07 -0.04 0.15 0.00 0.00 0.00 178.15 178.37 2jpu h PHE 117 N 0.00 -0.10 -0.83 1.37 3.57 -0.65 -1.66 116.94 118.63 2jpu h PHE 117 Ca -0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2jpu h PHE 117 Cb 0.12 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 2jpu h PHE 117 CO 0.00 0.43 0.38 0.00 -2.23 0.00 0.00 178.31 176.89 2jpu h ALA 118 N 0.07 1.10 -0.10 2.41 0.00 -0.59 0.20 119.26 122.35 2jpu h ALA 118 Ca -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2jpu h ALA 118 Cb 0.58 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jpu h ALA 118 CO 0.02 0.66 -0.46 0.28 0.00 0.00 0.00 179.25 179.75 2jpu h VAL 119 N 1.19 1.33 0.00 0.00 2.07 -1.34 0.14 116.25 119.64 2jpu h VAL 119 Ca 0.28 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 2jpu h VAL 119 Cb 0.14 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2jpu h VAL 119 CO -0.03 0.49 -0.16 -1.13 0.02 0.00 0.00 177.57 176.75 2jpu h ASN 120 N 0.21 0.00 1.24 0.57 -0.73 -0.47 0.19 115.58 116.59 2jpu h ASN 120 Ca 0.01 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.04 2jpu h ASN 120 Cb 0.90 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.46 2jpu h ASN 120 CO 0.07 0.16 -0.78 0.28 -0.37 0.00 0.00 177.43 176.79 2jpu h SER 121 N 0.00 0.00 0.58 1.15 0.02 -0.10 -3.24 113.55 111.95 2jpu h SER 121 Ca -0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.66 2jpu h SER 121 Cb 0.95 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.49 2jpu h SER 121 CO 0.02 0.66 -1.30 0.25 -1.14 0.00 0.00 176.83 175.32 2jpu h LEU 122 N 0.00 0.45 0.08 5.07 5.85 -0.60 -3.48 115.31 122.68 2jpu h LEU 122 Ca -0.03 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 2jpu h LEU 122 Cb 1.53 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2jpu h LEU 122 CO 0.08 1.39 -0.03 -0.62 -0.34 0.00 0.00 178.44 178.93 2jpu n GLU 123 N -3.53 -1.39 -3.15 1.25 1.02 0.65 -4.94 120.64 110.55 2jpu n GLU 123 Ca -0.10 0.43 -0.45 0.00 -0.02 0.00 0.00 57.16 57.02 2jpu n GLU 123 Cb 1.03 -4.51 -0.05 0.00 -0.02 0.00 0.00 31.44 27.90 2jpu n GLU 123 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2jpu s HIS 124 N -1.42 3.06 0.00 -0.32 3.76 -1.25 -4.25 115.29 114.85 2jpu s HIS 124 Ca 0.00 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 2jpu s HIS 124 Cb 0.00 -3.97 0.00 0.00 1.11 0.00 0.00 32.58 29.72 2jpu s HIS 124 CO 0.00 -1.24 0.00 1.58 -0.85 0.00 0.00 174.74 174.23 2jpu n HIS 125 N 6.08 -0.11 -3.64 1.40 -0.00 -1.26 -4.51 115.22 113.19 2jpu n HIS 125 Ca -0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.57 2jpu n HIS 125 Cb 0.42 0.02 -0.06 0.00 -0.00 0.00 0.00 29.99 30.37 2jpu n HIS 125 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jpu s HIS 126 N -1.84 -0.15 -0.97 1.57 5.65 -1.26 -5.06 115.29 113.22 2jpu s HIS 126 Ca 0.00 0.33 -0.24 0.00 0.25 0.00 0.00 55.06 55.40 2jpu s HIS 126 Cb 0.00 0.46 -0.06 0.00 -1.18 0.00 0.00 32.58 31.81 2jpu s HIS 126 CO 0.00 -0.10 1.95 -3.38 -0.65 0.00 0.00 174.74 172.56 2jpu s HIS 127 N -0.40 1.84 0.00 3.88 0.00 -1.26 -4.74 115.29 114.61 2jpu s HIS 127 Ca 0.06 0.60 0.00 0.00 -3.00 0.00 0.00 55.06 52.72 2jpu s HIS 127 Cb -0.03 -4.03 0.00 0.00 -4.00 0.00 0.00 32.58 24.52 2jpu s HIS 127 CO -0.10 -1.60 0.00 1.58 -1.00 0.00 0.00 174.74 173.62 2jpu n HIS 128 N 14.12 0.00 1.82 0.38 -0.00 -1.26 -5.25 115.22 125.04 2jpu n HIS 128 Ca 0.41 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 58.29 2jpu n HIS 128 Cb 0.47 0.00 0.80 0.00 -0.00 0.00 0.00 29.99 31.26 2jpu n HIS 128 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06