#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 0.53 -1.25 6.12 0.02 -2.05 -3.47 113.55 113.45 2jpu h SER 2 Ca 0.00 -0.94 -0.61 0.00 -0.84 0.00 0.00 61.79 59.41 2jpu h SER 2 Cb 0.00 -0.17 -0.10 0.00 0.14 0.00 0.00 62.40 62.27 2jpu h SER 2 CO 0.00 1.42 -0.51 0.27 -1.14 0.00 0.00 176.83 176.88 2jpu s ILE 3 N -2.51 1.92 -0.63 3.27 -4.36 -1.26 -5.10 121.20 112.54 2jpu s ILE 3 Ca -0.13 -1.81 0.05 0.00 -0.26 0.00 0.00 60.65 58.50 2jpu s ILE 3 Cb 0.01 -2.74 0.19 0.00 1.25 0.00 0.00 42.46 41.17 2jpu s ILE 3 CO 0.85 0.00 0.51 -1.20 0.24 0.00 0.00 174.94 175.34 2jpu n SER 4 N -1.23 2.36 -4.94 4.36 7.64 -1.26 -4.91 113.62 115.64 2jpu n SER 4 Ca -0.06 -3.07 -0.25 0.00 1.01 0.00 0.00 58.87 56.50 2jpu n SER 4 Cb 0.66 -0.70 0.05 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.34 2.56 0.33 0.44 -4.23 -1.26 -4.84 115.64 107.31 2jpu s THR 5 Ca 0.29 -0.35 0.04 0.00 -1.18 0.00 0.00 61.69 60.49 2jpu s THR 5 Cb 0.01 -3.06 0.29 0.00 1.34 0.00 0.00 72.50 71.08 2jpu s THR 5 CO -0.15 -0.06 1.93 0.77 -0.54 0.00 0.00 174.62 176.58 2jpu h SER 6 N -0.35 0.78 0.28 3.99 4.64 -1.98 0.20 113.55 121.10 2jpu h SER 6 Ca -0.44 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2jpu h SER 6 Cb 1.30 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2jpu h SER 6 CO 0.58 0.50 -0.13 0.00 -0.87 0.00 0.00 176.83 176.90 2jpu h ALA 7 N 1.56 -0.37 -0.22 5.18 0.00 -1.92 -1.01 119.26 122.48 2jpu h ALA 7 Ca 0.35 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2jpu h ALA 7 Cb 0.25 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2jpu h ALA 7 CO -0.13 -0.64 -0.01 0.93 0.00 0.00 0.00 179.25 179.41 2jpu h GLU 8 N -0.52 0.06 0.30 0.00 4.39 -1.73 0.96 114.58 118.03 2jpu h GLU 8 Ca -0.04 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2jpu h GLU 8 Cb 0.39 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2jpu h GLU 8 CO 0.06 0.04 -0.16 0.28 -1.16 0.00 0.00 179.01 178.07 2jpu h VAL 9 N 0.06 0.66 0.00 3.13 2.07 -0.60 -0.03 116.25 121.54 2jpu h VAL 9 Ca 0.10 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 2jpu h VAL 9 Cb 0.14 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2jpu h VAL 9 CO -0.18 0.00 -0.40 1.88 0.02 0.00 0.00 177.57 178.89 2jpu h TYR 10 N -0.43 0.00 -0.32 1.57 0.05 -1.10 -1.63 116.97 115.10 2jpu h TYR 10 Ca -0.03 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.65 2jpu h TYR 10 Cb 0.35 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 2jpu h TYR 10 CO -0.08 0.40 -0.18 -0.92 -1.05 0.00 0.00 178.16 176.34 2jpu h TYR 11 N 0.00 0.80 -0.55 4.88 3.20 -0.58 -0.95 116.97 123.77 2jpu h TYR 11 Ca -0.00 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.65 2jpu h TYR 11 Cb 0.94 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 2jpu h TYR 11 CO 0.00 0.92 0.29 1.49 -1.64 0.00 0.00 178.16 179.22 2jpu h GLU 12 N 0.46 0.77 -0.54 1.82 4.81 -0.64 0.26 114.58 121.53 2jpu h GLU 12 Ca 0.07 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2jpu h GLU 12 Cb 0.72 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2jpu h GLU 12 CO 0.05 0.61 0.05 0.93 -0.73 0.00 0.00 179.01 179.92 2jpu h GLU 13 N 0.74 0.88 -0.72 1.92 5.08 -1.26 0.33 114.58 121.55 2jpu h GLU 13 Ca 0.19 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jpu h GLU 13 Cb 0.06 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2jpu h GLU 13 CO -0.03 0.84 0.40 0.00 -1.00 0.00 0.00 179.01 179.23 2jpu h ALA 14 N 1.23 0.92 -0.50 3.43 0.00 -0.72 -0.67 119.26 122.93 2jpu h ALA 14 Ca 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2jpu h ALA 14 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jpu h ALA 14 CO 0.01 0.42 0.02 0.93 0.00 0.00 0.00 179.25 180.63 2jpu h GLU 15 N 0.98 0.83 -0.51 0.00 5.08 -0.25 -0.64 114.58 120.07 2jpu h GLU 15 Ca 0.25 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2jpu h GLU 15 Cb 0.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2jpu h GLU 15 CO -0.04 0.82 0.26 0.93 -1.00 0.00 0.00 179.01 179.98 2jpu h GLU 16 N 0.78 0.73 0.00 2.33 4.39 0.34 0.27 114.58 123.42 2jpu h GLU 16 Ca 0.15 -0.10 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 2jpu h GLU 16 Cb 0.45 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2jpu h GLU 16 CO 0.02 0.60 -0.65 0.74 -1.16 0.00 0.00 179.01 178.56 2jpu h PHE 17 N 0.68 0.00 -0.33 4.33 0.04 -1.02 -0.68 116.94 119.96 2jpu h PHE 17 Ca 0.18 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.86 2jpu h PHE 17 Cb 0.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2jpu h PHE 17 CO -0.01 0.65 -0.18 1.25 -0.60 0.00 0.00 178.31 179.42 2jpu h LEU 18 N 0.00 0.59 -1.03 1.54 5.85 -0.72 -0.61 115.31 120.94 2jpu h LEU 18 Ca -0.01 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 2jpu h LEU 18 Cb 1.26 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2jpu h LEU 18 CO 0.08 0.78 -0.20 -1.28 -0.34 0.00 0.00 178.44 177.49 2jpu h SER 19 N 0.54 0.00 -0.07 1.25 0.87 -0.10 -2.91 113.55 113.13 2jpu h SER 19 Ca 0.09 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.41 2jpu h SER 19 Cb 0.61 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.59 2jpu h SER 19 CO 0.04 0.20 -0.90 0.50 -0.53 0.00 0.00 176.83 176.14 2jpu h LYS 20 N 0.00 0.73 0.00 2.24 3.64 -0.37 -3.48 116.57 119.32 2jpu h LYS 20 Ca -0.00 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 2jpu h LYS 20 Cb 0.77 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2jpu h LYS 20 CO 0.03 1.28 0.00 0.41 -2.27 0.00 0.00 179.45 178.90 2jpu n GLY 21 N 0.91 1.47 3.46 5.01 0.00 -0.31 -5.09 105.19 110.65 2jpu n GLY 21 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.84 -0.19 1.61 2.15 -0.96 -5.03 116.67 116.08 2jpu s ASP 22 Ca 0.00 -0.35 -0.02 0.00 0.43 0.00 0.00 52.55 52.61 2jpu s ASP 22 Cb 0.00 -0.68 -0.21 0.00 -0.30 0.00 0.00 42.92 41.73 2jpu s ASP 22 CO 0.00 0.29 0.05 0.18 -0.17 0.00 0.00 175.17 175.52 2jpu n LEU 23 N 1.84 2.80 0.18 -1.34 4.77 -1.26 -4.17 117.00 119.82 2jpu n LEU 23 Ca -0.16 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.69 2jpu n LEU 23 Cb 0.52 -1.00 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 2jpu n LEU 23 CO 0.26 0.90 0.77 0.58 -1.33 0.00 0.00 177.39 178.57 2jpu h VAL 24 N 0.03 0.73 0.00 4.08 2.07 -1.96 0.04 116.25 121.24 2jpu h VAL 24 Ca -0.51 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 2jpu h VAL 24 Cb 1.96 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2jpu h VAL 24 CO -0.01 0.01 -0.29 1.56 0.02 0.00 0.00 177.57 178.86 2jpu h GLN 25 N -0.40 0.00 -0.07 1.57 4.20 -1.97 -3.01 115.11 115.43 2jpu h GLN 25 Ca -0.04 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 2jpu h GLN 25 Cb 0.30 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.09 2jpu h GLN 25 CO 0.06 0.29 -0.53 0.00 -0.67 0.00 0.00 178.83 177.98 2jpu h ALA 26 N 1.71 0.16 -0.91 3.87 0.00 -1.58 -3.30 119.26 119.21 2jpu h ALA 26 Ca -0.00 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.45 2jpu h ALA 26 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 2jpu h ALA 26 CO 0.04 0.37 0.57 0.00 0.00 0.00 0.00 179.25 180.23 2jpu h GLU 28 N 1.02 1.11 0.00 0.00 4.57 -1.66 0.52 114.58 120.14 2jpu h GLU 28 Ca 0.40 -0.16 -0.16 0.00 -1.18 0.00 0.00 59.36 58.26 2jpu h GLU 28 Cb 0.21 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 2jpu h GLU 28 CO -0.19 0.85 -0.93 0.87 -1.18 0.00 0.00 179.01 178.44 2jpu h LYS 29 N 1.10 0.00 -0.68 1.92 1.57 -1.31 -0.68 116.57 118.49 2jpu h LYS 29 Ca 0.27 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2jpu h LYS 29 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2jpu h LYS 29 CO -0.03 0.61 0.22 1.88 -0.57 0.00 0.00 179.45 181.55 2jpu h TYR 30 N 0.00 1.10 -0.52 -1.35 0.05 -0.15 -0.03 116.97 116.07 2jpu h TYR 30 Ca -0.06 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.60 2jpu h TYR 30 Cb 1.59 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.99 2jpu h TYR 30 CO 0.00 0.88 0.29 -0.92 -1.05 0.00 0.00 178.16 177.36 2jpu h TYR 31 N 1.00 0.71 -0.41 4.88 3.20 -0.73 -2.02 116.97 123.59 2jpu h TYR 31 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2jpu h TYR 31 Cb 0.30 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2jpu h TYR 31 CO 0.02 0.52 0.20 0.87 -1.64 0.00 0.00 178.16 178.13 2jpu h LYS 32 N 0.70 0.58 -0.74 1.82 6.56 -0.81 0.65 116.57 125.33 2jpu h LYS 32 Ca 0.18 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 2jpu h LYS 32 Cb 0.04 -0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 31.56 2jpu h LYS 32 CO -0.03 0.49 0.47 0.00 -2.06 0.00 0.00 179.45 178.32 2jpu h ALA 33 N 1.05 1.44 0.02 3.86 0.00 -0.90 -0.48 119.26 124.25 2jpu h ALA 33 Ca 0.14 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 2jpu h ALA 33 Cb 0.10 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 17.61 2jpu h ALA 33 CO -0.02 0.50 -0.83 0.00 0.00 0.00 0.00 179.25 178.90 2jpu h ALA 34 N 1.51 0.08 -0.14 0.00 0.00 -0.93 -2.77 119.26 117.01 2jpu h ALA 34 Ca 0.27 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2jpu h ALA 34 Cb -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jpu h ALA 34 CO -0.05 0.50 0.05 1.49 0.00 0.00 0.00 179.25 181.23 2jpu h GLU 35 N 0.10 0.11 -0.72 0.00 4.81 0.69 0.48 114.58 120.05 2jpu h GLU 35 Ca -0.11 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2jpu h GLU 35 Cb 1.52 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.85 2jpu h GLU 35 CO 0.16 0.07 0.33 0.93 -0.73 0.00 0.00 179.01 179.77 2jpu h GLU 36 N 0.11 1.05 -0.40 1.92 4.39 -1.22 -1.67 114.58 118.77 2jpu h GLU 36 Ca 0.06 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2jpu h GLU 36 Cb 0.03 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 2jpu h GLU 36 CO -0.06 0.84 0.25 0.00 -1.16 0.00 0.00 179.01 178.88 2jpu h ALA 37 N 1.16 0.50 -0.13 3.43 0.00 -1.11 0.95 119.26 124.06 2jpu h ALA 37 Ca 0.24 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jpu h ALA 37 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jpu h ALA 37 CO -0.03 -0.02 0.05 0.82 0.00 0.00 0.00 179.25 180.07 2jpu h ILE 38 N 0.53 0.98 -0.42 0.00 1.08 -0.78 0.20 117.51 119.09 2jpu h ILE 38 Ca 0.14 -0.04 0.08 0.00 -0.39 0.00 0.00 64.86 64.66 2jpu h ILE 38 Cb -0.02 0.86 -0.09 0.00 -3.07 0.00 0.00 36.82 34.49 2jpu h ILE 38 CO -0.03 0.02 -0.34 0.50 -0.69 0.00 0.00 178.15 177.62 2jpu h LYS 39 N 0.11 -0.24 -0.13 2.37 3.64 -0.85 0.25 116.57 121.73 2jpu h LYS 39 Ca 0.05 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2jpu h LYS 39 Cb 0.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2jpu h LYS 39 CO -0.05 -0.16 0.02 -0.07 -2.27 0.00 0.00 179.45 176.92 2jpu h LEU 40 N -0.25 -0.01 -1.03 5.20 4.07 -0.48 -3.02 115.31 119.79 2jpu h LEU 40 Ca 0.18 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.11 2jpu h LEU 40 Cb 0.54 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 2jpu h LEU 40 CO -0.56 0.02 0.14 -0.07 -1.08 0.00 0.00 178.44 176.89 2jpu h LEU 41 N 0.07 0.78 -0.40 1.67 3.38 0.13 -0.24 115.31 120.70 2jpu h LEU 41 Ca 0.06 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2jpu h LEU 41 Cb 0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2jpu h LEU 41 CO -0.08 0.76 0.13 0.58 0.09 0.00 0.00 178.44 179.92 2jpu h VAL 42 N 0.81 0.87 -0.09 1.22 2.07 -0.43 -1.47 116.25 119.23 2jpu h VAL 42 Ca 0.18 -0.10 -0.24 0.00 0.82 0.00 0.00 66.70 67.36 2jpu h VAL 42 Cb 0.28 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2jpu h VAL 42 CO -0.00 0.05 -0.88 0.40 0.02 0.00 0.00 177.57 177.16 2jpu h ILE 43 N 0.29 1.28 0.00 4.57 2.04 -1.33 -2.26 117.51 122.10 2jpu h ILE 43 Ca 0.18 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.95 2jpu h ILE 43 Cb 0.17 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2jpu h ILE 43 CO -0.20 0.65 -0.06 1.05 0.00 0.00 0.00 178.15 179.60 2jpu h GLU 44 N 0.48 0.00 0.00 2.37 -0.00 -0.88 -3.29 114.58 113.26 2jpu h GLU 44 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.28 2jpu h GLU 44 Cb 1.51 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.26 2jpu h GLU 44 CO 0.18 0.06 0.00 0.09 -0.00 0.00 0.00 179.01 179.34 2jpu n ASN 45 N -3.21 0.00 0.00 3.06 3.02 -0.57 -5.01 115.26 112.55 2jpu n ASN 45 Ca -0.00 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2jpu n ASN 45 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 2jpu n ASN 45 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jpu n ASN 46 N -0.38 0.00 -3.42 6.41 2.85 -1.16 -5.06 115.26 114.50 2jpu n ASN 46 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 2jpu n ASN 46 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 2jpu n ASN 46 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2jpu n LEU 47 N 0.00 8.25 0.29 1.20 4.77 -0.86 -4.59 117.00 126.06 2jpu n LEU 47 Ca 0.00 -4.74 0.15 0.00 -0.03 0.00 0.00 56.01 51.39 2jpu n LEU 47 Cb 0.00 -1.41 0.90 0.00 -2.33 0.00 0.00 43.42 40.58 2jpu n LEU 47 CO 0.00 2.07 1.10 0.11 -1.33 0.00 0.00 177.39 179.33 2jpu h LYS 48 N 4.70 0.00 0.00 3.23 1.57 -1.91 -0.64 116.57 123.51 2jpu h LYS 48 Ca 0.75 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.51 2jpu h LYS 48 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2jpu h LYS 48 CO 1.56 0.03 -0.09 0.93 -0.57 0.00 0.00 179.45 181.30 2jpu h GLU 49 N 0.00 0.00 0.00 3.15 4.39 -1.98 0.99 114.58 121.13 2jpu h GLU 49 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 2jpu h GLU 49 Cb 0.08 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2jpu h GLU 49 CO 0.00 0.09 -1.69 -0.89 -1.16 0.00 0.00 179.01 175.37 2jpu n ILE 50 N -3.36 1.35 0.10 3.13 2.08 -0.28 -3.54 119.36 118.83 2jpu n ILE 50 Ca -0.01 -0.75 -0.12 0.00 0.56 0.00 0.00 62.75 62.43 2jpu n ILE 50 Cb 0.27 -0.80 -0.08 0.00 -0.75 0.00 0.00 39.64 38.28 2jpu n ILE 50 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2jpu h THR 51 N 0.00 0.84 0.00 1.39 2.02 -0.87 -3.09 112.91 113.21 2jpu h THR 51 Ca -0.26 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2jpu h THR 51 Cb 1.83 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2jpu h THR 51 CO 0.06 0.17 0.00 -0.55 0.37 0.00 0.00 175.52 175.56 2jpu h ASN 52 N -0.73 0.00 -0.22 4.18 7.08 -1.05 -0.87 115.58 123.98 2jpu h ASN 52 Ca -0.03 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.17 2jpu h ASN 52 Cb 0.50 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.72 2jpu h ASN 52 CO 0.05 0.00 0.09 -1.13 -2.08 0.00 0.00 177.43 174.36 2jpu h ASN 53 N 0.00 0.35 -0.37 6.14 -0.73 -1.58 -2.24 115.58 117.14 2jpu h ASN 53 Ca 0.00 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.14 2jpu h ASN 53 Cb 0.39 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.89 2jpu h ASN 53 CO 0.00 0.34 0.00 0.52 -0.37 0.00 0.00 177.43 177.92 2jpu n VAL 54 N -4.40 1.82 -0.06 2.57 0.31 -0.37 -4.54 118.33 113.66 2jpu n VAL 54 Ca 0.01 -1.45 0.03 0.00 -0.01 0.00 0.00 64.34 62.91 2jpu n VAL 54 Cb 0.15 0.06 0.37 0.00 -0.91 0.00 0.00 33.84 33.50 2jpu n VAL 54 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2jpu h LYS 55 N 2.39 0.67 -0.20 5.55 3.11 -0.95 -2.23 116.57 124.90 2jpu h LYS 55 Ca 0.00 -0.05 -0.14 0.00 -2.81 0.00 0.00 60.65 57.65 2jpu h LYS 55 Cb 1.24 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 32.32 2jpu h LYS 55 CO 0.17 0.45 -0.47 -0.97 -2.81 0.00 0.00 179.45 175.82 2jpu h ASN 56 N 0.68 0.55 -2.27 4.20 -0.73 -1.80 -3.45 115.58 112.77 2jpu h ASN 56 Ca 0.18 -0.27 -0.44 0.00 1.87 0.00 0.00 56.30 57.65 2jpu h ASN 56 Cb -0.05 -0.16 0.04 0.00 0.27 0.00 0.00 38.32 38.41 2jpu h ASN 56 CO -0.04 0.94 -0.11 -0.54 -0.37 0.00 0.00 177.43 177.31 2jpu s LYS 57 N -4.12 2.72 -0.19 6.67 -0.14 -0.84 -5.04 119.74 118.81 2jpu s LYS 57 Ca -0.07 -0.85 0.15 0.00 -1.36 0.00 0.00 55.97 53.85 2jpu s LYS 57 Cb 0.12 -2.58 -0.24 0.00 -1.68 0.00 0.00 37.83 33.45 2jpu s LYS 57 CO 0.82 -0.50 0.10 0.41 -0.76 0.00 0.00 175.35 175.42 2jpu n GLY 58 N -2.15 -0.92 3.51 -3.33 0.00 -1.26 -4.94 105.19 96.09 2jpu n GLY 58 Ca 0.06 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.50 2.45 0.24 1.61 3.52 -1.26 -5.09 118.95 117.92 2jpu s ARG 59 Ca -0.12 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.43 2jpu s ARG 59 Cb 0.07 -2.39 -0.10 0.00 -1.56 0.00 0.00 34.95 30.97 2jpu s ARG 59 CO 0.80 0.61 1.37 -1.58 -0.81 0.00 0.00 175.30 175.69 2jpu s TRP 60 N -0.85 3.11 0.00 5.12 0.52 -1.26 -4.97 118.94 120.61 2jpu s TRP 60 Ca 0.14 1.16 -0.30 0.00 0.02 0.00 0.00 56.10 57.11 2jpu s TRP 60 Cb -0.11 -3.72 -0.04 0.00 -1.15 0.00 0.00 33.47 28.45 2jpu s TRP 60 CO 0.03 -2.26 1.13 0.15 0.02 0.00 0.00 176.95 176.02 2jpu s LYS 61 N -0.51 4.44 0.37 4.98 1.02 -1.26 -4.93 119.74 123.84 2jpu s LYS 61 Ca 0.57 1.62 0.08 0.00 0.02 0.00 0.00 55.97 58.26 2jpu s LYS 61 Cb -0.40 -3.45 0.79 0.00 -0.52 0.00 0.00 37.83 34.26 2jpu s LYS 61 CO 0.43 -0.26 1.94 0.77 -0.92 0.00 0.00 175.35 177.31 2jpu h SER 62 N 7.00 0.63 -0.69 2.83 0.02 -1.99 0.18 113.55 121.53 2jpu h SER 62 Ca -0.39 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 2jpu h SER 62 Cb 1.20 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 2jpu h SER 62 CO 0.82 0.38 0.18 -0.08 -1.14 0.00 0.00 176.83 176.99 2jpu h GLU 63 N 0.70 1.11 -0.05 3.45 4.81 -2.00 -1.70 114.58 120.90 2jpu h GLU 63 Ca 0.35 -0.26 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 2jpu h GLU 63 Cb 0.42 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2jpu h GLU 63 CO -0.13 0.98 -0.61 -0.97 -0.73 0.00 0.00 179.01 177.55 2jpu h ASN 64 N 1.06 0.22 -0.51 1.04 -1.24 -1.44 -2.58 115.58 112.13 2jpu h ASN 64 Ca 0.22 -0.13 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 2jpu h ASN 64 Cb 0.36 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 2jpu h ASN 64 CO 0.00 0.77 0.12 -0.07 -1.29 0.00 0.00 177.43 176.97 2jpu h LEU 65 N 0.14 0.78 -1.09 0.34 3.38 -0.66 0.43 115.31 118.63 2jpu h LEU 65 Ca -0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2jpu h LEU 65 Cb 1.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2jpu h LEU 65 CO 0.09 0.81 0.02 0.15 0.09 0.00 0.00 178.44 179.59 2jpu h PHE 66 N 0.71 0.69 -0.03 1.13 3.57 -1.19 -0.29 116.94 121.53 2jpu h PHE 66 Ca 0.16 -0.08 -0.22 0.00 3.53 0.00 0.00 57.97 61.36 2jpu h PHE 66 Cb 0.33 -0.20 0.02 0.00 2.79 0.00 0.00 35.95 38.89 2jpu h PHE 66 CO 0.02 0.65 -0.85 -0.22 -2.23 0.00 0.00 178.31 175.68 2jpu h LYS 67 N 0.63 0.64 -0.89 1.11 1.63 -1.11 -2.96 116.57 115.62 2jpu h LYS 67 Ca 0.13 -0.64 0.05 0.00 -0.85 0.00 0.00 60.65 59.34 2jpu h LYS 67 Cb 0.37 0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 32.12 2jpu h LYS 67 CO 0.01 1.24 0.58 0.00 -3.45 0.00 0.00 179.45 177.84 2jpu h ALA 68 N 0.41 1.48 -0.07 5.00 0.00 0.11 -0.91 119.26 125.28 2jpu h ALA 68 Ca -0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2jpu h ALA 68 Cb 1.52 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2jpu h ALA 68 CO 0.17 0.41 -0.15 0.77 0.00 0.00 0.00 179.25 180.45 2jpu h SER 69 N 1.06 0.10 -0.43 0.00 0.02 -1.00 0.16 113.55 113.46 2jpu h SER 69 Ca 0.36 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.25 2jpu h SER 69 Cb 0.10 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2jpu h SER 69 CO -0.12 0.27 0.08 0.50 -1.14 0.00 0.00 176.83 176.42 2jpu h LYS 70 N 0.10 0.70 -0.19 3.45 3.11 -1.02 -2.77 116.57 119.96 2jpu h LYS 70 Ca 0.02 -0.18 -0.11 0.00 -2.81 0.00 0.00 60.65 57.57 2jpu h LYS 70 Cb 0.34 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2jpu h LYS 70 CO 0.02 0.73 -0.36 -0.07 -2.81 0.00 0.00 179.45 176.96 2jpu h LEU 71 N 0.57 0.42 0.00 5.20 3.38 -0.78 -2.57 115.31 121.53 2jpu h LEU 71 Ca 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jpu h LEU 71 Cb 0.36 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jpu h LEU 71 CO 0.01 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.47 2jpu n LEU 72 N -4.06 0.00 0.26 1.67 4.77 0.48 -2.20 117.00 117.92 2jpu n LEU 72 Ca -0.01 0.24 0.17 0.00 -0.03 0.00 0.00 56.01 56.38 2jpu n LEU 72 Cb 0.47 -0.24 0.90 0.00 -2.33 0.00 0.00 43.42 42.21 2jpu n LEU 72 CO 0.43 -0.15 1.14 -0.09 -1.33 0.00 0.00 177.39 177.39 2jpu h ARG 73 N 0.00 0.00 -0.41 3.23 1.12 -1.28 0.20 114.38 117.24 2jpu h ARG 73 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 58.90 2jpu h ARG 73 Cb 0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.03 2jpu h ARG 73 CO 0.00 0.00 0.27 1.03 -3.11 0.00 0.00 179.97 178.16 2jpu h SER 74 N 0.00 0.39 0.00 -3.80 0.87 -1.68 -2.94 113.55 106.39 2jpu h SER 74 Ca 0.04 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2jpu h SER 74 Cb 0.27 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2jpu h SER 74 CO -0.00 0.27 -0.24 -1.13 -0.53 0.00 0.00 176.83 175.20 2jpu h ASN 75 N 0.45 0.00 -3.66 6.23 -0.73 -1.22 -3.47 115.58 113.18 2jpu h ASN 75 Ca 0.16 -0.74 -0.13 0.00 1.87 0.00 0.00 56.30 57.47 2jpu h ASN 75 Cb 0.09 0.00 -0.25 0.00 0.27 0.00 0.00 38.32 38.43 2jpu h ASN 75 CO -0.04 1.01 -0.28 0.21 -0.37 0.00 0.00 177.43 177.97 2jpu s ASN 76 N -6.22 -0.44 0.54 1.15 3.84 -1.01 -5.04 114.94 107.76 2jpu s ASN 76 Ca -0.18 0.81 0.32 0.00 0.21 0.00 0.00 52.86 54.02 2jpu s ASN 76 Cb -0.01 0.78 1.33 0.00 -0.55 0.00 0.00 41.25 42.80 2jpu s ASN 76 CO 0.56 -0.15 1.98 0.00 -2.79 0.00 0.00 177.10 176.69 2jpu h THR 77 N 4.88 0.12 -0.00 -5.21 1.03 -1.85 -2.75 112.91 109.13 2jpu h THR 77 Ca -0.30 -0.60 0.00 0.00 -0.01 0.00 0.00 66.41 65.50 2jpu h THR 77 Cb 1.18 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 69.79 2jpu h THR 77 CO 0.27 0.04 -0.36 -0.62 -0.01 0.00 0.00 175.52 174.85 2jpu n GLU 78 N -3.17 0.08 -0.01 0.00 1.02 -1.26 -4.27 120.64 113.03 2jpu n GLU 78 Ca 0.00 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 56.99 2jpu n GLU 78 Cb 0.32 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.10 0.20 -0.10 -3.67 1.08 -1.80 0.30 117.51 113.61 2jpu h ILE 79 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2jpu h ILE 79 Cb 0.49 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 2jpu h ILE 79 CO 0.00 0.00 0.07 1.55 -0.69 0.00 0.00 178.15 179.08 2jpu h PRO 80 N -0.43 0.13 -0.20 2.37 0.13 -1.74 -0.31 132.00 131.94 2jpu h PRO 80 Ca 0.09 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 65.05 2jpu h PRO 80 Cb 0.59 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2jpu h PRO 80 CO -0.40 0.09 -0.52 0.82 -0.23 0.00 0.00 178.00 177.76 2jpu h ILE 81 N 0.14 1.31 -0.47 -3.56 2.04 -1.41 0.60 117.51 116.15 2jpu h ILE 81 Ca 0.04 -1.74 -0.11 0.00 1.00 0.00 0.00 64.86 64.04 2jpu h ILE 81 Cb -0.01 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2jpu h ILE 81 CO -0.01 0.55 -0.14 -0.07 0.00 0.00 0.00 178.15 178.48 2jpu h LEU 82 N 0.43 0.94 -0.91 1.44 3.38 0.15 -2.53 115.31 118.20 2jpu h LEU 82 Ca -0.01 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 2jpu h LEU 82 Cb 1.14 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2jpu h LEU 82 CO 0.11 1.10 -0.06 -0.25 0.09 0.00 0.00 178.44 179.43 2jpu h TRP 83 N 0.78 0.78 -0.58 1.13 2.91 -1.07 -2.89 115.95 117.01 2jpu h TRP 83 Ca 0.12 -0.12 0.10 0.00 1.13 0.00 0.00 58.89 60.12 2jpu h TRP 83 Cb 0.70 -0.21 -0.08 0.00 -0.51 0.00 0.00 29.16 29.06 2jpu h TRP 83 CO 0.05 0.77 0.15 -0.22 -1.03 0.00 0.00 178.44 178.16 2jpu h LYS 84 N 0.67 0.29 -0.65 2.65 3.64 -0.47 0.67 116.57 123.37 2jpu h LYS 84 Ca 0.12 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2jpu h LYS 84 Cb 0.51 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2jpu h LYS 84 CO 0.03 0.19 0.25 0.77 -2.27 0.00 0.00 179.45 178.42 2jpu h SER 85 N 0.30 0.90 -0.50 4.20 0.02 -1.30 0.22 113.55 117.38 2jpu h SER 85 Ca 0.30 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 2jpu h SER 85 Cb 0.42 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2jpu h SER 85 CO -0.36 0.83 -0.09 0.00 -1.14 0.00 0.00 176.83 176.07 2jpu h ALA 86 N 1.11 0.83 -0.53 3.77 0.00 -1.08 -1.58 119.26 121.78 2jpu h ALA 86 Ca 0.22 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2jpu h ALA 86 Cb 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2jpu h ALA 86 CO -0.02 0.66 0.33 2.35 0.00 0.00 0.00 179.25 182.57 2jpu h TRP 87 N 0.88 0.61 -0.94 0.00 -0.00 0.65 -2.40 115.95 114.75 2jpu h TRP 87 Ca 0.14 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 59.07 2jpu h TRP 87 Cb 0.64 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 29.55 2jpu h TRP 87 CO 0.04 0.36 0.62 1.15 -0.00 0.00 0.00 178.44 180.61 2jpu h THR 88 N 0.65 1.20 -0.93 2.65 2.02 -0.20 -0.23 112.91 118.07 2jpu h THR 88 Ca 0.21 -0.42 0.12 0.00 0.77 0.00 0.00 66.41 67.09 2jpu h THR 88 Cb -0.01 -0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.19 2jpu h THR 88 CO -0.08 0.22 0.59 -0.07 0.37 0.00 0.00 175.52 176.56 2jpu h LEU 89 N 1.23 0.79 0.16 2.58 3.38 -0.78 -1.81 115.31 120.86 2jpu h LEU 89 Ca 0.36 0.04 -0.35 0.00 0.09 0.00 0.00 57.88 58.02 2jpu h LEU 89 Cb -0.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2jpu h LEU 89 CO -0.10 0.42 -1.78 -0.74 0.09 0.00 0.00 178.44 176.33 2jpu h HIS 90 N 0.85 0.63 0.75 1.13 2.76 -1.20 -2.75 115.15 117.32 2jpu h HIS 90 Ca 0.46 -0.46 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2jpu h HIS 90 Cb 0.56 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.51 2jpu h HIS 90 CO -0.00 1.66 -0.37 0.28 -1.30 0.00 0.00 177.93 178.19 2jpu h VAL 91 N 0.09 0.24 -2.24 5.26 2.07 -0.78 -3.30 116.25 117.60 2jpu h VAL 91 Ca -0.35 0.00 -0.59 0.00 0.82 0.00 0.00 66.70 66.58 2jpu h VAL 91 Cb 2.08 0.24 -0.42 0.00 -1.52 0.00 0.00 31.29 31.67 2jpu h VAL 91 CO 0.16 0.00 -0.66 -0.62 0.02 0.00 0.00 177.57 176.47 2jpu n GLU 92 N -5.53 2.88 -3.62 1.57 1.02 -0.71 -4.75 120.64 111.49 2jpu n GLU 92 Ca -0.14 -4.71 -0.17 0.00 -0.02 0.00 0.00 57.16 52.11 2jpu n GLU 92 Cb 0.42 -2.20 -0.15 0.00 -0.02 0.00 0.00 31.44 29.49 2jpu n GLU 92 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2jpu s GLY 93 N -3.08 0.02 -0.10 0.62 0.00 -1.04 -4.48 107.32 99.27 2jpu s GLY 93 Ca 0.46 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.70 2jpu s GLY 93 CO -0.10 1.85 0.00 0.33 0.00 0.00 0.00 173.10 175.18 2jpu n PHE 94 N 5.33 0.00 0.00 1.90 7.35 -1.26 -4.74 117.46 126.03 2jpu n PHE 94 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2jpu n PHE 94 Cb 0.50 -0.66 0.00 0.00 0.35 0.00 0.00 39.48 39.66 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 -2.75 0.00 0.00 -5.13 -0.00 -1.26 -5.00 115.22 101.08 2jpu n HIS 95 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2jpu n HIS 95 Cb 0.14 -0.16 0.00 0.00 -0.12 0.00 0.00 29.99 29.86 2jpu n HIS 95 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2jpu n GLU 96 N -1.37 0.00 -3.06 1.57 1.02 -1.26 -5.01 120.64 112.52 2jpu n GLU 96 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2jpu n GLU 96 Cb 0.00 -0.02 -0.06 0.00 -0.02 0.00 0.00 31.44 31.34 2jpu n GLU 96 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jpu s LEU 97 N -4.91 4.70 0.00 -4.62 2.01 -1.26 -4.91 118.68 109.69 2jpu s LEU 97 Ca 0.00 -0.73 0.00 0.00 0.01 0.00 0.00 54.13 53.41 2jpu s LEU 97 Cb 0.00 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.63 2jpu s LEU 97 CO 0.00 -0.98 0.43 -1.20 1.01 0.00 0.00 176.35 175.61 2jpu n SER 98 N 6.54 0.97 -0.91 2.29 7.64 -1.26 -4.21 113.62 124.68 2jpu n SER 98 Ca -0.04 -1.50 0.00 0.00 1.01 0.00 0.00 58.87 58.35 2jpu n SER 98 Cb 0.46 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2jpu n SER 98 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jpu n LEU 99 N 0.20 0.00 -4.23 -3.43 4.77 -1.26 -4.80 117.00 108.25 2jpu n LEU 99 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2jpu n LEU 99 Cb 0.22 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2jpu n LEU 99 CO 0.00 -1.41 -0.39 0.20 -1.33 0.00 0.00 177.39 174.46 2jpu s ASN 100 N -4.00 1.56 0.39 -1.43 0.01 -1.26 -5.03 114.94 105.17 2jpu s ASN 100 Ca 0.00 -1.03 0.13 0.00 -0.71 0.00 0.00 52.86 51.24 2jpu s ASN 100 Cb 0.00 0.03 0.95 0.00 0.41 0.00 0.00 41.25 42.64 2jpu s ASN 100 CO 0.00 -0.40 1.87 -0.08 -1.51 0.00 0.00 177.10 176.98 2jpu h GLU 101 N 2.81 0.53 -0.61 -0.60 4.22 -2.00 -1.72 114.58 117.22 2jpu h GLU 101 Ca -0.36 -0.03 0.11 0.00 0.08 0.00 0.00 59.36 59.15 2jpu h GLU 101 Cb 1.19 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 2jpu h GLU 101 CO 0.64 0.35 0.17 -0.22 -2.18 0.00 0.00 179.01 177.77 2jpu h LYS 102 N 0.55 0.31 -0.06 1.92 3.11 -2.01 -0.88 116.57 119.52 2jpu h LYS 102 Ca 0.44 -0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 58.13 2jpu h LYS 102 Cb 0.90 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 2jpu h LYS 102 CO -0.19 0.21 -0.59 0.93 -2.81 0.00 0.00 179.45 177.00 2jpu h GLU 103 N 0.32 0.19 -0.66 1.90 4.39 -1.73 -3.12 114.58 115.86 2jpu h GLU 103 Ca 0.32 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 2jpu h GLU 103 Cb 0.44 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2jpu h GLU 103 CO -0.36 0.72 0.16 0.28 -1.16 0.00 0.00 179.01 178.65 2jpu h VAL 104 N 0.14 1.25 -0.30 3.13 2.07 -1.01 0.16 116.25 121.70 2jpu h VAL 104 Ca -0.00 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2jpu h VAL 104 Cb 1.08 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2jpu h VAL 104 CO 0.09 0.36 0.12 0.11 0.02 0.00 0.00 177.57 178.26 2jpu h LYS 105 N 1.00 0.41 0.00 1.57 1.57 -1.28 0.09 116.57 119.93 2jpu h LYS 105 Ca 0.21 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2jpu h LYS 105 Cb 0.35 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2jpu h LYS 105 CO 0.00 0.35 -0.23 -0.22 -0.57 0.00 0.00 179.45 178.78 2jpu h LYS 106 N 0.42 0.15 -0.39 3.15 3.64 -1.34 -3.35 116.57 118.85 2jpu h LYS 106 Ca 0.10 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2jpu h LYS 106 Cb 0.09 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2jpu h LYS 106 CO -0.01 0.91 0.10 -0.07 -2.27 0.00 0.00 179.45 178.11 2jpu h LEU 107 N -0.54 0.52 -1.91 5.20 -0.00 -0.36 -2.06 115.31 116.16 2jpu h LEU 107 Ca -0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2jpu h LEU 107 Cb 0.99 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.52 2jpu h LEU 107 CO 0.04 0.52 0.06 0.07 -0.00 0.00 0.00 178.44 179.14 2jpu h LYS 108 N 0.56 0.12 0.23 1.13 2.10 -1.11 0.22 116.57 119.81 2jpu h LYS 108 Ca 0.13 -0.01 -0.33 0.00 -2.00 0.00 0.00 60.65 58.44 2jpu h LYS 108 Cb 0.21 -0.03 0.03 0.00 -0.90 0.00 0.00 32.23 31.54 2jpu h LYS 108 CO -0.00 0.08 -1.53 1.49 -2.00 0.00 0.00 179.45 177.48 2jpu h GLU 109 N 0.12 0.48 -0.14 0.07 4.22 -1.54 -2.39 114.58 115.41 2jpu h GLU 109 Ca 0.04 -0.82 0.01 0.00 0.08 0.00 0.00 59.36 58.67 2jpu h GLU 109 Cb -0.01 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2jpu h GLU 109 CO -0.01 1.39 0.04 -0.44 -2.18 0.00 0.00 179.01 177.82 2jpu h ASP 110 N 0.10 0.05 -0.42 1.04 3.32 -0.74 0.11 116.42 119.86 2jpu h ASP 110 Ca -0.28 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 2jpu h ASP 110 Cb 2.12 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.66 2jpu h ASP 110 CO 0.24 0.05 -0.11 0.58 -1.72 0.00 0.00 179.24 178.28 2jpu h VAL 111 N 0.11 1.26 -0.91 -1.35 2.07 -0.73 -2.66 116.25 114.05 2jpu h VAL 111 Ca 0.06 -1.21 0.02 0.00 0.82 0.00 0.00 66.70 66.38 2jpu h VAL 111 Cb 0.03 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 2jpu h VAL 111 CO -0.06 0.42 0.60 0.03 0.02 0.00 0.00 177.57 178.58 2jpu h ARG 112 N 0.79 1.16 -0.17 1.57 3.08 -0.88 0.16 114.38 120.10 2jpu h ARG 112 Ca 0.13 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2jpu h ARG 112 Cb 0.62 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2jpu h ARG 112 CO 0.04 0.77 -0.04 0.87 -1.07 0.00 0.00 179.97 180.54 2jpu h LYS 113 N 1.20 0.01 -0.55 0.04 1.79 -0.47 0.76 116.57 119.35 2jpu h LYS 113 Ca 0.34 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.75 2jpu h LYS 113 Cb -0.09 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 2jpu h LYS 113 CO -0.08 0.00 0.09 -0.07 -1.08 0.00 0.00 179.45 178.31 2jpu h LEU 114 N 0.01 0.81 -0.06 2.94 4.07 -1.02 -1.29 115.31 120.77 2jpu h LEU 114 Ca 0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 2jpu h LEU 114 Cb 0.12 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.65 2jpu h LEU 114 CO -0.17 0.82 -0.00 0.58 -1.08 0.00 0.00 178.44 178.59 2jpu h VAL 115 N 0.82 1.26 -0.41 1.22 2.07 -0.35 -2.06 116.25 118.80 2jpu h VAL 115 Ca 0.17 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.92 2jpu h VAL 115 Cb 0.36 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2jpu h VAL 115 CO 0.01 0.22 0.27 0.40 0.02 0.00 0.00 177.57 178.49 2jpu h ILE 116 N -0.18 1.04 -0.13 4.57 2.04 -0.69 0.47 117.51 124.62 2jpu h ILE 116 Ca 0.02 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2jpu h ILE 116 Cb 0.35 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2jpu h ILE 116 CO 0.00 0.08 0.00 -0.26 0.00 0.00 0.00 178.15 177.98 2jpu h PHE 117 N 0.45 0.25 -0.17 1.37 0.04 -0.98 0.11 116.94 118.02 2jpu h PHE 117 Ca 0.16 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 2jpu h PHE 117 Cb 0.09 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 2jpu h PHE 117 CO -0.00 0.47 -0.11 0.00 -0.60 0.00 0.00 178.31 178.07 2jpu h ALA 118 N 0.75 0.24 -0.62 2.45 0.00 -0.93 -2.99 119.26 118.17 2jpu h ALA 118 Ca 0.04 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2jpu h ALA 118 Cb 0.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jpu h ALA 118 CO 0.01 0.09 0.06 0.28 0.00 0.00 0.00 179.25 179.69 2jpu h VAL 119 N 0.04 1.26 -0.39 0.00 2.07 -0.90 -2.82 116.25 115.52 2jpu h VAL 119 Ca 0.03 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2jpu h VAL 119 Cb 0.61 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2jpu h VAL 119 CO 0.03 0.39 0.04 -1.13 0.02 0.00 0.00 177.57 176.92 2jpu h ASN 120 N 0.97 0.56 -0.25 0.57 -0.00 -0.80 0.11 115.58 116.74 2jpu h ASN 120 Ca 0.19 -0.10 -0.10 0.00 -0.00 0.00 0.00 56.30 56.28 2jpu h ASN 120 Cb 0.47 -0.15 -0.02 0.00 -0.00 0.00 0.00 38.32 38.63 2jpu h ASN 120 CO 0.02 0.60 -0.20 -1.28 -0.00 0.00 0.00 177.43 176.57 2jpu h SER 121 N 0.57 0.71 0.08 1.15 0.87 -1.35 -3.33 113.55 112.25 2jpu h SER 121 Ca 0.13 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2jpu h SER 121 Cb 0.31 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2jpu h SER 121 CO 0.01 0.90 -0.04 -0.07 -0.53 0.00 0.00 176.83 177.10 2jpu h LEU 122 N 0.62 -0.09 -3.45 2.23 4.07 -1.15 -3.48 115.31 114.07 2jpu h LEU 122 Ca 0.09 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.53 2jpu h LEU 122 Cb 0.68 0.02 0.02 0.00 1.08 0.00 0.00 40.66 42.46 2jpu h LEU 122 CO 0.05 0.19 -0.98 -0.62 -1.08 0.00 0.00 178.44 176.01 2jpu n GLU 123 N -3.70 -0.84 0.09 1.13 -0.58 -0.04 -4.86 120.64 111.84 2jpu n GLU 123 Ca -0.01 0.25 0.01 0.00 -0.42 0.00 0.00 57.16 56.99 2jpu n GLU 123 Cb 0.04 -3.33 0.36 0.00 -0.57 0.00 0.00 31.44 27.94 2jpu n GLU 123 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2jpu h HIS 124 N -2.26 0.33 0.14 -0.32 -0.00 -1.93 -2.41 115.15 108.69 2jpu h HIS 124 Ca -0.69 -0.04 -0.30 0.00 -0.00 0.00 0.00 60.37 59.34 2jpu h HIS 124 Cb 1.39 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 2jpu h HIS 124 CO 0.37 0.43 -1.42 1.12 -0.00 0.00 0.00 177.93 178.43 2jpu h HIS 125 N 0.30 0.55 -3.93 5.26 2.07 -1.99 -3.50 115.15 113.90 2jpu h HIS 125 Ca 0.06 -0.40 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 2jpu h HIS 125 Cb 0.38 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.34 2jpu h HIS 125 CO 0.01 1.37 -0.86 0.72 -3.07 0.00 0.00 177.93 176.11 2jpu n HIS 126 N -3.52 -4.45 -0.12 6.12 -0.00 -0.91 -4.88 115.22 107.45 2jpu n HIS 126 Ca -0.14 2.61 -0.11 0.00 -0.00 0.00 0.00 57.72 60.09 2jpu n HIS 126 Cb 1.04 -3.52 -0.02 0.00 -0.00 0.00 0.00 29.99 27.50 2jpu n HIS 126 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2jpu h HIS 127 N 3.65 0.73 -1.78 4.41 6.17 -1.97 -3.50 115.15 122.86 2jpu h HIS 127 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 60.37 60.94 2jpu h HIS 127 Cb 0.00 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 29.74 2jpu h HIS 127 CO 0.00 0.79 -0.44 1.58 0.71 0.00 0.00 177.93 180.57 2jpu n HIS 128 N -4.45 -2.12 -1.02 5.26 -0.00 -1.26 -5.29 115.22 106.34 2jpu n HIS 128 Ca -0.02 1.13 0.00 0.00 0.46 0.00 0.00 57.72 59.29 2jpu n HIS 128 Cb 0.30 -2.22 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 2jpu n HIS 128 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41