#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 0.03 -5.23 6.12 0.02 -2.04 -3.48 113.55 108.97 2jpu h SER 2 Ca 0.00 -0.91 -0.35 0.00 -0.84 0.00 0.00 61.79 59.70 2jpu h SER 2 Cb 0.00 -0.01 -0.14 0.00 0.14 0.00 0.00 62.40 62.39 2jpu h SER 2 CO 0.00 0.94 -0.58 0.27 -1.14 0.00 0.00 176.83 176.32 2jpu s ILE 3 N -2.59 0.17 -0.37 3.27 -0.00 -1.26 -5.13 121.20 115.28 2jpu s ILE 3 Ca -0.18 -2.00 0.02 0.00 -0.00 0.00 0.00 60.65 58.49 2jpu s ILE 3 Cb -0.02 -2.52 0.15 0.00 -0.00 0.00 0.00 42.46 40.07 2jpu s ILE 3 CO 0.70 0.00 0.32 -0.94 -0.00 0.00 0.00 174.94 175.01 2jpu s SER 4 N -3.28 1.84 0.57 4.36 1.04 -1.26 -5.07 113.70 111.90 2jpu s SER 4 Ca 0.38 -2.05 0.05 0.00 0.48 0.00 0.00 55.95 54.81 2jpu s SER 4 Cb 0.06 0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.32 2jpu s SER 4 CO 0.16 -0.26 0.78 0.42 0.98 0.00 0.00 173.24 175.33 2jpu s THR 5 N 1.07 2.47 0.41 2.02 -4.23 -1.26 -4.96 115.64 111.15 2jpu s THR 5 Ca 0.20 -0.83 0.10 0.00 -1.18 0.00 0.00 61.69 59.98 2jpu s THR 5 Cb -0.15 -2.63 0.31 0.00 1.34 0.00 0.00 72.50 71.36 2jpu s THR 5 CO -0.03 0.00 1.99 0.28 -0.54 0.00 0.00 174.62 176.31 2jpu h SER 6 N 0.10 0.47 0.05 3.99 0.02 -1.96 -2.60 113.55 113.62 2jpu h SER 6 Ca -0.36 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.61 2jpu h SER 6 Cb 1.28 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 2jpu h SER 6 CO 0.44 0.30 -0.20 0.00 -1.14 0.00 0.00 176.83 176.23 2jpu h ALA 7 N 1.68 -0.29 0.10 3.77 0.00 -1.91 0.30 119.26 122.91 2jpu h ALA 7 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2jpu h ALA 7 Cb 0.37 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jpu h ALA 7 CO -0.08 -0.71 -0.05 0.93 0.00 0.00 0.00 179.25 179.35 2jpu h GLU 8 N -0.34 -0.13 0.12 0.00 4.39 -1.85 -1.03 114.58 115.73 2jpu h GLU 8 Ca 0.04 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2jpu h GLU 8 Cb 0.39 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2jpu h GLU 8 CO -0.15 -0.00 -0.08 0.28 -1.16 0.00 0.00 179.01 177.90 2jpu h VAL 9 N -0.23 0.83 -0.40 3.13 2.07 -1.25 -0.74 116.25 119.67 2jpu h VAL 9 Ca -0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 2jpu h VAL 9 Cb 0.19 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2jpu h VAL 9 CO 0.02 0.00 -0.13 1.88 0.02 0.00 0.00 177.57 179.36 2jpu h TYR 10 N -0.19 0.80 -0.29 1.57 0.05 -0.42 -1.07 116.97 117.41 2jpu h TYR 10 Ca -0.01 -0.15 -0.11 0.00 0.05 0.00 0.00 58.73 58.51 2jpu h TYR 10 Cb 0.17 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2jpu h TYR 10 CO -0.09 0.82 -0.29 -0.92 -1.05 0.00 0.00 178.16 176.63 2jpu h TYR 11 N 0.66 0.68 -0.26 4.88 3.20 -0.96 -1.39 116.97 123.78 2jpu h TYR 11 Ca 0.11 -0.17 -0.16 0.00 3.14 0.00 0.00 58.73 61.66 2jpu h TYR 11 Cb 0.60 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2jpu h TYR 11 CO 0.03 0.82 -0.47 1.49 -1.64 0.00 0.00 178.16 178.39 2jpu h GLU 12 N 0.51 0.70 -0.17 1.82 4.81 -0.80 -2.44 114.58 119.01 2jpu h GLU 12 Ca 0.06 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 58.83 2jpu h GLU 12 Cb 0.77 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2jpu h GLU 12 CO 0.06 1.02 -0.18 0.93 -0.73 0.00 0.00 179.01 180.11 2jpu h GLU 13 N 0.56 0.29 -0.71 1.92 5.08 -0.94 0.17 114.58 120.94 2jpu h GLU 13 Ca 0.03 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2jpu h GLU 13 Cb 1.02 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2jpu h GLU 13 CO 0.10 0.47 0.41 0.00 -1.00 0.00 0.00 179.01 178.99 2jpu h ALA 14 N 1.55 0.91 -0.19 3.43 0.00 -0.98 0.33 119.26 124.31 2jpu h ALA 14 Ca 0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2jpu h ALA 14 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jpu h ALA 14 CO 0.03 0.40 -0.21 0.93 0.00 0.00 0.00 179.25 180.40 2jpu h GLU 15 N 0.97 0.33 0.29 0.00 4.39 -0.83 -0.23 114.58 119.50 2jpu h GLU 15 Ca 0.25 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2jpu h GLU 15 Cb -0.00 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2jpu h GLU 15 CO -0.04 0.53 -0.14 0.93 -1.16 0.00 0.00 179.01 179.12 2jpu h GLU 16 N 0.30 -0.37 0.00 2.33 4.39 0.15 -2.97 114.58 118.40 2jpu h GLU 16 Ca 0.05 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2jpu h GLU 16 Cb 0.54 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2jpu h GLU 16 CO 0.04 -0.13 -0.38 0.74 -1.16 0.00 0.00 179.01 178.11 2jpu h PHE 17 N -0.56 0.00 -0.83 4.33 0.04 -0.85 -2.17 116.94 116.89 2jpu h PHE 17 Ca -0.04 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.79 2jpu h PHE 17 Cb 0.41 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.50 2jpu h PHE 17 CO -0.01 0.38 0.52 1.25 -0.60 0.00 0.00 178.31 179.85 2jpu h LEU 18 N 0.00 0.82 -0.40 1.54 5.85 -0.99 0.37 115.31 122.49 2jpu h LEU 18 Ca -0.00 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2jpu h LEU 18 Cb 0.81 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2jpu h LEU 18 CO 0.05 0.53 -0.41 0.28 -0.34 0.00 0.00 178.44 178.55 2jpu h SER 19 N 0.95 0.00 0.70 1.25 0.02 -1.27 -2.69 113.55 112.51 2jpu h SER 19 Ca 0.36 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.17 2jpu h SER 19 Cb 0.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2jpu h SER 19 CO -0.16 0.41 -0.64 0.50 -1.14 0.00 0.00 176.83 175.79 2jpu h LYS 20 N 0.00 0.00 0.00 3.45 1.63 -0.70 -3.47 116.57 117.48 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 1.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2jpu h LYS 20 CO 0.05 0.64 0.00 0.41 -3.45 0.00 0.00 179.45 177.11 2jpu n GLY 21 N 0.40 0.82 3.35 5.01 0.00 0.11 -5.01 105.19 109.88 2jpu n GLY 21 Ca -0.01 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.05 7.11 0.28 1.61 -1.08 -0.17 -4.87 116.67 117.51 2jpu s ASP 22 Ca 0.00 -3.22 0.11 0.00 -0.52 0.00 0.00 52.55 48.93 2jpu s ASP 22 Cb 0.00 -2.24 0.40 0.00 -1.46 0.00 0.00 42.92 39.62 2jpu s ASP 22 CO 0.00 -0.45 1.63 -0.07 0.52 0.00 0.00 175.17 176.80 2jpu h LEU 23 N 7.44 0.00 -0.06 -1.34 3.38 -1.82 -1.60 115.31 121.30 2jpu h LEU 23 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2jpu h LEU 23 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2jpu h LEU 23 CO 0.96 0.59 -0.01 0.58 0.09 0.00 0.00 178.44 180.66 2jpu h VAL 24 N 0.00 1.27 -0.63 1.22 2.07 -1.90 0.21 116.25 118.50 2jpu h VAL 24 Ca -0.01 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 2jpu h VAL 24 Cb 1.06 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 2jpu h VAL 24 CO 0.08 0.23 0.03 1.56 0.02 0.00 0.00 177.57 179.49 2jpu h GLN 25 N -0.19 1.09 -0.42 1.57 4.20 -1.96 -2.21 115.11 117.19 2jpu h GLN 25 Ca 0.02 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 2jpu h GLN 25 Cb 0.37 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2jpu h GLN 25 CO 0.00 1.04 0.26 0.00 -0.67 0.00 0.00 178.83 179.47 2jpu h ALA 26 N 1.01 0.54 -0.28 3.87 0.00 -1.19 -1.97 119.26 121.25 2jpu h ALA 26 Ca 0.18 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2jpu h ALA 26 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2jpu h ALA 26 CO 0.03 0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.40 2jpu h GLU 28 N 0.22 0.25 0.95 0.00 5.08 -1.26 -1.03 114.58 118.80 2jpu h GLU 28 Ca 0.12 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2jpu h GLU 28 Cb 0.09 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jpu h GLU 28 CO -0.13 0.41 -0.46 0.87 -1.00 0.00 0.00 179.01 178.70 2jpu h LYS 29 N 0.23 -1.23 0.00 2.33 1.79 -0.68 -1.56 116.57 117.45 2jpu h LYS 29 Ca 0.05 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2jpu h LYS 29 Cb 0.42 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2jpu h LYS 29 CO 0.03 -0.82 0.00 0.10 -1.08 0.00 0.00 179.45 177.68 2jpu h TYR 30 N -1.32 0.00 0.10 -1.35 -0.00 -1.45 -1.29 116.97 111.65 2jpu h TYR 30 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.59 2jpu h TYR 30 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.71 2jpu h TYR 30 CO 0.00 0.00 -0.05 -0.92 -0.00 0.00 0.00 178.16 177.20 2jpu h TYR 31 N 0.00 -0.13 0.00 0.10 3.20 -1.07 -2.41 116.97 116.66 2jpu h TYR 31 Ca 0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2jpu h TYR 31 Cb 0.60 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2jpu h TYR 31 CO 0.00 0.07 -0.44 0.87 -1.64 0.00 0.00 178.16 177.01 2jpu h LYS 32 N -0.30 0.00 -0.56 1.82 1.57 -0.91 -1.92 116.57 116.28 2jpu h LYS 32 Ca -0.01 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2jpu h LYS 32 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2jpu h LYS 32 CO 0.02 0.44 0.37 0.00 -0.57 0.00 0.00 179.45 179.72 2jpu h ALA 33 N 1.56 1.84 -0.03 3.86 0.00 -1.15 -0.54 119.26 124.79 2jpu h ALA 33 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2jpu h ALA 33 Cb 0.90 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jpu h ALA 33 CO 0.06 0.08 -0.25 0.00 0.00 0.00 0.00 179.25 179.14 2jpu h ALA 34 N 1.70 0.07 -0.27 0.00 0.00 -0.84 -2.25 119.26 117.68 2jpu h ALA 34 Ca 0.24 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2jpu h ALA 34 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jpu h ALA 34 CO -0.07 0.09 -0.32 1.05 0.00 0.00 0.00 179.25 180.01 2jpu h GLU 35 N -0.36 0.57 -0.69 0.00 4.11 -1.28 0.11 114.58 117.04 2jpu h GLU 35 Ca -0.02 -0.25 -0.04 0.00 0.07 0.00 0.00 59.36 59.12 2jpu h GLU 35 Cb 0.94 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 2jpu h GLU 35 CO 0.05 0.82 0.28 0.93 0.07 0.00 0.00 179.01 181.16 2jpu h GLU 36 N 0.49 1.01 -0.52 1.06 4.39 -1.18 -0.25 114.58 119.59 2jpu h GLU 36 Ca 0.06 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 2jpu h GLU 36 Cb 0.79 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 2jpu h GLU 36 CO 0.06 0.82 0.01 0.00 -1.16 0.00 0.00 179.01 178.75 2jpu h ALA 37 N 1.31 0.69 -0.70 3.43 0.00 -0.72 -2.05 119.26 121.22 2jpu h ALA 37 Ca 0.23 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2jpu h ALA 37 Cb 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2jpu h ALA 37 CO -0.02 0.49 0.35 0.82 0.00 0.00 0.00 179.25 180.90 2jpu h ILE 38 N 0.77 0.87 -0.63 0.00 1.08 -0.36 -0.03 117.51 119.20 2jpu h ILE 38 Ca 0.15 -0.21 0.10 0.00 -0.39 0.00 0.00 64.86 64.51 2jpu h ILE 38 Cb 0.50 0.20 -0.07 0.00 -3.07 0.00 0.00 36.82 34.38 2jpu h ILE 38 CO 0.02 0.11 0.25 0.50 -0.69 0.00 0.00 178.15 178.34 2jpu h LYS 39 N 0.61 0.42 -0.36 2.37 3.11 -0.65 0.11 116.57 122.18 2jpu h LYS 39 Ca 0.34 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 2jpu h LYS 39 Cb 0.33 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.45 2jpu h LYS 39 CO -0.25 0.28 0.23 -0.07 -2.81 0.00 0.00 179.45 176.83 2jpu h LEU 40 N 0.43 0.43 -1.25 5.20 4.07 -0.48 -2.86 115.31 120.85 2jpu h LEU 40 Ca 0.32 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.20 2jpu h LEU 40 Cb 0.40 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 2jpu h LEU 40 CO -0.31 0.33 -0.02 -0.07 -1.08 0.00 0.00 178.44 177.28 2jpu h LEU 41 N 0.49 0.45 -1.24 1.67 4.07 -0.01 -1.42 115.31 119.31 2jpu h LEU 41 Ca 0.13 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 2jpu h LEU 41 Cb -0.03 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 2jpu h LEU 41 CO -0.03 0.53 0.10 0.58 -1.08 0.00 0.00 178.44 178.55 2jpu h VAL 42 N 0.46 1.19 -0.03 1.22 2.07 -0.84 -2.53 116.25 117.79 2jpu h VAL 42 Ca 0.10 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2jpu h VAL 42 Cb 0.34 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2jpu h VAL 42 CO 0.01 0.25 -0.17 0.40 0.02 0.00 0.00 177.57 178.08 2jpu h ILE 43 N 0.61 1.48 -0.65 4.57 2.04 -1.07 -1.58 117.51 122.91 2jpu h ILE 43 Ca 0.14 -1.67 -0.06 0.00 1.00 0.00 0.00 64.86 64.27 2jpu h ILE 43 Cb 0.23 2.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 2jpu h ILE 43 CO -0.00 0.46 0.17 1.05 0.00 0.00 0.00 178.15 179.83 2jpu h GLU 44 N -0.42 1.01 0.00 2.37 4.11 -1.28 -1.49 114.58 118.88 2jpu h GLU 44 Ca -0.01 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.20 2jpu h GLU 44 Cb 0.84 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2jpu h GLU 44 CO 0.03 0.89 -0.24 0.09 0.07 0.00 0.00 179.01 179.86 2jpu n ASN 45 N -4.25 0.48 -3.24 3.06 3.02 -0.96 -4.98 115.26 108.39 2jpu n ASN 45 Ca 0.05 0.29 -0.09 0.00 -0.03 0.00 0.00 54.58 54.80 2jpu n ASN 45 Cb 0.24 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.85 -6.98 -4.51 6.41 5.15 -0.56 -4.88 115.26 108.04 2jpu n ASN 46 Ca 0.05 -0.23 -0.43 0.00 -0.60 0.00 0.00 54.58 53.37 2jpu n ASN 46 Cb 0.39 -4.24 -0.01 0.00 -0.53 0.00 0.00 39.78 35.38 2jpu n ASN 46 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jpu s LEU 47 N -4.01 4.45 0.41 1.20 1.43 -0.68 -4.81 118.68 116.68 2jpu s LEU 47 Ca 0.05 -2.25 0.20 0.00 -1.03 0.00 0.00 54.13 51.10 2jpu s LEU 47 Cb -0.01 -2.47 0.88 0.00 0.03 0.00 0.00 46.19 44.61 2jpu s LEU 47 CO 0.80 -1.10 1.83 0.50 0.23 0.00 0.00 176.35 178.60 2jpu h LYS 48 N 8.35 0.00 0.00 1.70 3.64 -1.89 0.25 116.57 128.61 2jpu h LYS 48 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2jpu h LYS 48 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2jpu h LYS 48 CO 1.29 0.30 0.00 0.93 -2.27 0.00 0.00 179.45 179.70 2jpu h GLU 49 N 0.00 0.00 0.00 1.90 4.39 -2.00 -2.38 114.58 116.50 2jpu h GLU 49 Ca -0.00 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.32 2jpu h GLU 49 Cb 0.73 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.31 2jpu h GLU 49 CO 0.04 0.00 -2.42 -0.89 -1.16 0.00 0.00 179.01 174.58 2jpu n ILE 50 N -2.33 1.45 -0.11 3.13 2.08 -0.21 -3.89 119.36 119.48 2jpu n ILE 50 Ca 0.03 -0.72 -0.11 0.00 0.56 0.00 0.00 62.75 62.51 2jpu n ILE 50 Cb 0.29 -0.95 -0.03 0.00 -0.75 0.00 0.00 39.64 38.20 2jpu n ILE 50 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2jpu h THR 51 N 0.00 1.27 0.00 1.39 1.35 -0.95 -2.02 112.91 113.95 2jpu h THR 51 Ca -0.56 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 2jpu h THR 51 Cb 2.07 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 2jpu h THR 51 CO -0.03 0.34 0.00 -0.55 -0.25 0.00 0.00 175.52 175.04 2jpu h ASN 52 N 0.39 0.00 0.91 5.36 7.08 -1.65 -1.88 115.58 125.78 2jpu h ASN 52 Ca 0.09 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.24 2jpu h ASN 52 Cb 0.52 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.75 2jpu h ASN 52 CO 0.02 0.00 -0.31 -1.13 -2.08 0.00 0.00 177.43 173.93 2jpu h ASN 53 N 0.00 0.00 -0.08 6.14 -0.73 -1.48 -2.50 115.58 116.92 2jpu h ASN 53 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2jpu h ASN 53 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.04 2jpu h ASN 53 CO 0.00 0.31 0.00 0.52 -0.37 0.00 0.00 177.43 177.89 2jpu n VAL 54 N -3.46 0.09 0.44 2.57 0.31 -0.72 -4.29 118.33 113.26 2jpu n VAL 54 Ca 0.00 -0.42 0.11 0.00 -0.01 0.00 0.00 64.34 64.02 2jpu n VAL 54 Cb 0.48 0.95 0.46 0.00 -0.91 0.00 0.00 33.84 34.82 2jpu n VAL 54 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2jpu n LYS 55 N 0.83 0.16 0.04 5.55 3.00 -0.94 -2.20 118.16 124.60 2jpu n LYS 55 Ca 0.17 0.38 -0.20 0.00 -0.00 0.00 0.00 58.31 58.65 2jpu n LYS 55 Cb 0.48 -1.80 -0.14 0.00 0.00 0.00 0.00 35.03 33.57 2jpu n LYS 55 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2jpu h ASN 56 N 0.00 0.45 -4.07 3.14 2.35 -1.77 -3.47 115.58 112.21 2jpu h ASN 56 Ca 0.00 -0.77 -0.40 0.00 -0.55 0.00 0.00 56.30 54.58 2jpu h ASN 56 Cb 0.37 -0.15 0.14 0.00 0.05 0.00 0.00 38.32 38.73 2jpu h ASN 56 CO 0.00 1.66 0.32 0.29 -1.65 0.00 0.00 177.43 178.05 2jpu n LYS 57 N -3.48 -0.93 -0.04 0.81 4.76 -0.93 -5.03 118.16 113.32 2jpu n LYS 57 Ca -0.24 -2.02 0.03 0.00 -2.87 0.00 0.00 58.31 53.21 2jpu n LYS 57 Cb 1.06 -1.11 -0.15 0.00 -1.84 0.00 0.00 35.03 32.99 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 -2.75 -0.90 3.41 0.72 0.00 -1.26 -5.02 105.19 99.39 2jpu n GLY 58 Ca 0.15 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.05 1.59 0.21 1.61 3.52 -1.26 -5.13 118.95 116.44 2jpu s ARG 59 Ca -0.08 -1.61 -0.31 0.00 -0.13 0.00 0.00 55.73 53.60 2jpu s ARG 59 Cb 0.10 0.39 -0.11 0.00 -1.56 0.00 0.00 34.95 33.77 2jpu s ARG 59 CO 0.79 -0.62 1.57 -1.58 -0.81 0.00 0.00 175.30 174.66 2jpu s TRP 60 N -3.69 2.98 0.09 5.12 0.52 -1.26 -5.01 118.94 117.69 2jpu s TRP 60 Ca 0.32 0.69 0.05 0.00 0.02 0.00 0.00 56.10 57.17 2jpu s TRP 60 Cb 0.02 -3.96 -0.04 0.00 -1.15 0.00 0.00 33.47 28.34 2jpu s TRP 60 CO 0.16 -3.45 0.01 0.21 0.02 0.00 0.00 176.95 173.90 2jpu s LYS 61 N 0.56 2.59 0.29 4.98 2.20 -1.26 -5.03 119.74 124.08 2jpu s LYS 61 Ca 0.67 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 55.44 2jpu s LYS 61 Cb -0.45 -2.57 0.42 0.00 -1.51 0.00 0.00 37.83 33.73 2jpu s LYS 61 CO 0.37 0.54 1.96 0.77 -0.36 0.00 0.00 175.35 178.63 2jpu h SER 62 N 3.41 0.97 -0.82 1.43 0.02 -2.00 -1.40 113.55 115.16 2jpu h SER 62 Ca -0.47 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 60.49 2jpu h SER 62 Cb 1.16 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.41 2jpu h SER 62 CO 0.61 0.71 0.54 1.05 -1.14 0.00 0.00 176.83 178.59 2jpu h GLU 63 N 1.15 0.97 -0.22 3.45 4.11 -2.00 -2.03 114.58 120.01 2jpu h GLU 63 Ca 0.31 -0.06 -0.12 0.00 0.07 0.00 0.00 59.36 59.56 2jpu h GLU 63 Cb -0.13 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.89 2jpu h GLU 63 CO -0.07 0.64 -0.39 -0.97 0.07 0.00 0.00 179.01 178.29 2jpu h ASN 64 N 1.00 0.52 -0.65 3.06 -0.73 -1.68 -1.89 115.58 115.21 2jpu h ASN 64 Ca 0.33 -0.22 -0.05 0.00 1.87 0.00 0.00 56.30 58.23 2jpu h ASN 64 Cb 0.07 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 2jpu h ASN 64 CO -0.10 0.86 0.23 -0.07 -0.37 0.00 0.00 177.43 177.98 2jpu h LEU 65 N 0.41 0.94 -0.25 0.34 3.38 -0.98 0.34 115.31 119.49 2jpu h LEU 65 Ca 0.04 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.65 2jpu h LEU 65 Cb 0.87 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2jpu h LEU 65 CO 0.07 0.87 -0.62 0.15 0.09 0.00 0.00 178.44 179.00 2jpu h PHE 66 N 0.99 1.10 -0.65 1.13 3.57 -1.27 -1.83 116.94 119.98 2jpu h PHE 66 Ca 0.22 -0.42 0.01 0.00 3.53 0.00 0.00 57.97 61.31 2jpu h PHE 66 Cb 0.25 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 2jpu h PHE 66 CO 0.02 1.26 0.42 -0.22 -2.23 0.00 0.00 178.31 177.56 2jpu h LYS 67 N 0.63 0.83 -0.00 1.11 3.11 -0.83 -0.58 116.57 120.84 2jpu h LYS 67 Ca -0.01 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2jpu h LYS 67 Cb 1.24 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 32.29 2jpu h LYS 67 CO 0.14 0.55 -0.00 0.00 -2.81 0.00 0.00 179.45 177.32 2jpu h ALA 68 N 1.25 0.00 -0.17 5.00 0.00 -0.92 -3.07 119.26 121.35 2jpu h ALA 68 Ca 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jpu h ALA 68 Cb -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jpu h ALA 68 CO -0.07 -0.32 0.09 0.77 0.00 0.00 0.00 179.25 179.72 2jpu h SER 69 N -0.34 0.19 0.03 0.00 0.02 -1.14 -1.49 113.55 110.82 2jpu h SER 69 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2jpu h SER 69 Cb 0.35 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2jpu h SER 69 CO 0.00 0.15 -0.03 0.50 -1.14 0.00 0.00 176.83 176.31 2jpu h LYS 70 N 0.23 -0.07 -0.21 3.45 3.11 -1.05 -2.70 116.57 119.33 2jpu h LYS 70 Ca 0.06 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.83 2jpu h LYS 70 Cb 0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 2jpu h LYS 70 CO -0.01 -0.05 -0.21 -0.07 -2.81 0.00 0.00 179.45 176.30 2jpu h LEU 71 N -0.07 0.36 0.00 5.20 3.38 -1.28 -2.96 115.31 119.94 2jpu h LEU 71 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jpu h LEU 71 Cb 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2jpu h LEU 71 CO -0.01 0.59 0.00 0.18 0.09 0.00 0.00 178.44 179.29 2jpu n LEU 72 N -4.17 0.00 0.29 1.67 4.77 -0.63 -2.13 117.00 116.80 2jpu n LEU 72 Ca -0.00 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 2jpu n LEU 72 Cb 0.36 -0.23 0.84 0.00 -2.33 0.00 0.00 43.42 42.05 2jpu n LEU 72 CO 0.40 -0.17 1.09 -0.09 -1.33 0.00 0.00 177.39 177.30 2jpu h ARG 73 N 0.00 0.00 0.00 3.23 2.43 -1.54 -0.63 114.38 117.87 2jpu h ARG 73 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2jpu h ARG 73 Cb 0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2jpu h ARG 73 CO 0.00 0.02 -0.40 0.66 -1.51 0.00 0.00 179.97 178.74 2jpu h SER 74 N 0.00 0.00 0.06 -3.80 4.64 -1.70 -3.16 113.55 109.59 2jpu h SER 74 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 2jpu h SER 74 Cb 0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2jpu h SER 74 CO 0.00 0.40 -0.44 -1.13 -0.87 0.00 0.00 176.83 174.79 2jpu h ASN 75 N 0.00 0.19 -3.89 4.97 -1.24 -1.37 -3.47 115.58 110.77 2jpu h ASN 75 Ca -0.00 -0.95 -0.03 0.00 0.71 0.00 0.00 56.30 56.03 2jpu h ASN 75 Cb 0.92 -0.06 -0.22 0.00 0.73 0.00 0.00 38.32 39.69 2jpu h ASN 75 CO 0.05 1.20 0.18 0.21 -1.29 0.00 0.00 177.43 177.78 2jpu s ASN 76 N -6.57 -0.71 0.48 1.15 3.84 -0.67 -5.06 114.94 107.41 2jpu s ASN 76 Ca -0.18 1.37 0.28 0.00 0.21 0.00 0.00 52.86 54.53 2jpu s ASN 76 Cb -0.01 1.38 0.98 0.00 -0.55 0.00 0.00 41.25 43.06 2jpu s ASN 76 CO 0.74 -0.24 1.84 0.74 -2.79 0.00 0.00 177.10 177.40 2jpu h THR 77 N 3.94 0.25 0.00 -5.21 2.02 -1.82 -3.20 112.91 108.89 2jpu h THR 77 Ca -0.29 -0.90 -0.14 0.00 0.77 0.00 0.00 66.41 65.85 2jpu h THR 77 Cb 1.16 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 2jpu h THR 77 CO 0.06 0.11 -0.69 -0.33 0.37 0.00 0.00 175.52 175.04 2jpu h GLU 78 N 0.00 0.00 -0.11 6.66 5.08 -1.92 -3.33 114.58 120.96 2jpu h GLU 78 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2jpu h GLU 78 Cb 0.72 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2jpu h GLU 78 CO 0.01 0.69 -0.29 0.82 -1.00 0.00 0.00 179.01 179.25 2jpu h ILE 79 N 0.00 0.34 -0.13 3.13 5.03 -1.87 0.38 117.51 124.39 2jpu h ILE 79 Ca -0.01 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.77 2jpu h ILE 79 Cb 1.23 0.34 -0.01 0.00 -3.03 0.00 0.00 36.82 35.36 2jpu h ILE 79 CO 0.09 0.00 0.11 -0.65 -0.68 0.00 0.00 178.15 177.02 2jpu h PRO 80 N -0.37 0.00 0.05 2.37 0.11 -1.70 -0.97 132.00 131.49 2jpu h PRO 80 Ca 0.09 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.07 2jpu h PRO 80 Cb 0.51 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.64 2jpu h PRO 80 CO -0.32 0.00 -0.53 0.82 -0.21 0.00 0.00 178.00 177.76 2jpu h ILE 81 N 0.00 1.52 -0.85 4.15 2.04 -1.09 -2.42 117.51 120.86 2jpu h ILE 81 Ca 0.06 -2.23 0.03 0.00 1.00 0.00 0.00 64.86 63.72 2jpu h ILE 81 Cb 0.29 2.92 -0.05 0.00 -0.74 0.00 0.00 36.82 39.24 2jpu h ILE 81 CO -0.00 0.63 0.55 -0.07 0.00 0.00 0.00 178.15 179.25 2jpu h LEU 82 N -0.38 0.92 -0.91 1.44 3.38 0.29 0.57 115.31 120.61 2jpu h LEU 82 Ca -0.08 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2jpu h LEU 82 Cb 1.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2jpu h LEU 82 CO 0.10 0.64 -0.19 -0.25 0.09 0.00 0.00 178.44 178.83 2jpu h TRP 83 N 1.08 0.65 -0.65 1.13 2.91 -1.28 -2.24 115.95 117.54 2jpu h TRP 83 Ca 0.33 -0.13 -0.07 0.00 1.13 0.00 0.00 58.89 60.15 2jpu h TRP 83 Cb -0.02 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 28.44 2jpu h TRP 83 CO -0.02 0.74 0.12 -0.22 -1.03 0.00 0.00 178.44 178.03 2jpu h LYS 84 N 0.52 1.06 -0.31 2.65 3.64 -0.67 0.12 116.57 123.58 2jpu h LYS 84 Ca 0.08 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2jpu h LYS 84 Cb 0.62 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2jpu h LYS 84 CO 0.04 0.96 0.20 0.77 -2.27 0.00 0.00 179.45 179.15 2jpu h SER 85 N 1.00 0.33 -0.05 4.20 0.02 -0.59 0.11 113.55 118.57 2jpu h SER 85 Ca 0.20 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 2jpu h SER 85 Cb 0.41 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2jpu h SER 85 CO 0.01 0.24 -0.27 0.00 -1.14 0.00 0.00 176.83 175.66 2jpu h ALA 86 N 1.13 1.07 -0.96 3.77 0.00 -1.11 -1.85 119.26 121.30 2jpu h ALA 86 Ca 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jpu h ALA 86 Cb -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2jpu h ALA 86 CO -0.04 0.57 0.59 2.35 0.00 0.00 0.00 179.25 182.72 2jpu h TRP 87 N 0.43 1.26 0.23 0.00 2.91 -0.34 -2.11 115.95 118.31 2jpu h TRP 87 Ca 0.06 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 2jpu h TRP 87 Cb 0.70 -0.41 0.00 0.00 -0.51 0.00 0.00 29.16 28.94 2jpu h TRP 87 CO 0.02 0.83 -0.11 1.15 -1.03 0.00 0.00 178.44 179.30 2jpu h THR 88 N 1.32 0.79 0.00 2.65 2.02 -0.00 -1.96 112.91 117.73 2jpu h THR 88 Ca 0.35 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.41 2jpu h THR 88 Cb -0.07 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2jpu h THR 88 CO -0.07 0.02 -0.12 0.17 0.37 0.00 0.00 175.52 175.89 2jpu h LEU 89 N -0.35 0.00 -0.33 2.58 8.10 -1.30 -0.32 115.31 123.68 2jpu h LEU 89 Ca -0.03 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.80 2jpu h LEU 89 Cb 0.27 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.49 2jpu h LEU 89 CO 0.05 0.12 -0.43 -0.74 -4.11 0.00 0.00 178.44 173.34 2jpu h HIS 90 N 0.00 1.07 0.00 0.17 2.76 -1.03 -3.08 115.15 115.04 2jpu h HIS 90 Ca -0.00 -0.35 -0.12 0.00 -2.20 0.00 0.00 60.37 57.70 2jpu h HIS 90 Cb 0.40 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 2jpu h HIS 90 CO 0.00 1.16 -0.57 0.28 -1.30 0.00 0.00 177.93 177.50 2jpu h VAL 91 N 0.67 1.19 0.00 5.26 2.07 -0.57 -3.33 116.25 121.54 2jpu h VAL 91 Ca 0.04 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.43 2jpu h VAL 91 Cb 1.03 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2jpu h VAL 91 CO 0.10 0.56 0.00 -0.62 0.02 0.00 0.00 177.57 177.63 2jpu n GLU 92 N -3.54 0.00 -1.59 1.57 -0.58 -0.21 -4.27 120.64 112.03 2jpu n GLU 92 Ca -0.00 0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 2jpu n GLU 92 Cb 0.65 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 30.00 2jpu n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jpu n GLY 93 N -1.10 4.06 2.79 0.62 0.00 -1.25 -4.78 105.19 105.53 2jpu n GLY 93 Ca 0.00 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 2jpu n GLY 93 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jpu s PHE 94 N 3.46 2.70 -1.44 1.61 0.08 -1.26 -4.86 117.98 118.27 2jpu s PHE 94 Ca 0.50 -2.91 0.00 0.00 0.12 0.00 0.00 56.93 54.64 2jpu s PHE 94 Cb 0.14 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.35 2jpu s PHE 94 CO -0.05 -0.69 0.00 1.58 -0.10 0.00 0.00 175.22 175.96 2jpu n HIS 95 N 2.76 0.00 -2.45 0.36 -0.00 -1.26 -4.97 115.22 109.66 2jpu n HIS 95 Ca 0.15 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.08 2jpu n HIS 95 Cb 0.36 -2.49 0.04 0.00 -0.12 0.00 0.00 29.99 27.78 2jpu n HIS 95 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2jpu s GLU 96 N -3.12 2.68 -1.05 1.57 4.04 -1.26 -5.02 118.70 116.53 2jpu s GLU 96 Ca 0.00 -0.25 -0.07 0.00 0.04 0.00 0.00 54.97 54.69 2jpu s GLU 96 Cb 0.00 -2.31 0.26 0.00 0.02 0.00 0.00 34.13 32.10 2jpu s GLU 96 CO 0.00 -0.80 1.02 -0.51 -1.84 0.00 0.00 175.26 173.13 2jpu s LEU 97 N -4.98 6.13 -1.07 1.83 2.01 -1.26 -4.60 118.68 116.74 2jpu s LEU 97 Ca 0.55 -3.63 -0.05 0.00 0.01 0.00 0.00 54.13 51.02 2jpu s LEU 97 Cb -0.10 -2.13 0.01 0.00 0.01 0.00 0.00 46.19 43.97 2jpu s LEU 97 CO 0.43 -0.26 0.61 -1.20 1.01 0.00 0.00 176.35 176.94 2jpu n SER 98 N 2.60 -5.00 0.00 2.29 7.64 -1.26 -4.74 113.62 115.15 2jpu n SER 98 Ca 0.23 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2jpu n SER 98 Cb 0.39 -3.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.83 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 -3.30 0.00 -4.42 -3.43 4.77 -1.26 -4.49 117.00 104.87 2jpu n LEU 99 Ca -0.05 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.66 2jpu n LEU 99 Cb 0.57 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.54 2jpu n LEU 99 CO 0.39 -0.40 -0.54 0.54 -1.33 0.00 0.00 177.39 176.05 2jpu s ASN 100 N -4.00 3.44 0.12 -1.43 2.20 -1.26 -5.04 114.94 108.97 2jpu s ASN 100 Ca 0.00 -0.80 -0.14 0.00 -0.94 0.00 0.00 52.86 50.98 2jpu s ASN 100 Cb 0.00 -0.27 -0.03 0.00 -2.00 0.00 0.00 41.25 38.95 2jpu s ASN 100 CO 0.00 0.15 1.52 -0.08 -2.94 0.00 0.00 177.10 175.74 2jpu h GLU 101 N 3.48 0.77 -0.98 3.55 4.22 -1.96 -3.03 114.58 120.63 2jpu h GLU 101 Ca -0.48 -0.31 0.07 0.00 0.08 0.00 0.00 59.36 58.72 2jpu h GLU 101 Cb 1.19 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 2jpu h GLU 101 CO 0.45 0.93 0.62 -0.22 -2.18 0.00 0.00 179.01 178.61 2jpu h LYS 102 N 0.58 1.08 -0.61 1.92 3.11 -1.99 -0.67 116.57 119.97 2jpu h LYS 102 Ca 0.09 -0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 57.80 2jpu h LYS 102 Cb 0.66 -0.24 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 2jpu h LYS 102 CO 0.05 0.71 0.12 1.49 -2.81 0.00 0.00 179.45 179.00 2jpu h GLU 103 N 1.11 1.00 -0.53 1.90 4.57 -1.97 -2.36 114.58 118.31 2jpu h GLU 103 Ca 0.43 -0.26 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 2jpu h GLU 103 Cb 0.22 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2jpu h GLU 103 CO -0.19 0.93 0.02 0.28 -1.18 0.00 0.00 179.01 178.87 2jpu h VAL 104 N 0.91 1.26 -0.82 0.32 2.07 -1.18 0.66 116.25 119.47 2jpu h VAL 104 Ca 0.19 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.66 2jpu h VAL 104 Cb 0.40 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2jpu h VAL 104 CO 0.01 0.38 0.54 0.11 0.02 0.00 0.00 177.57 178.63 2jpu h LYS 105 N 0.79 1.05 -0.04 1.57 1.79 -1.00 -0.67 116.57 120.07 2jpu h LYS 105 Ca 0.15 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.39 2jpu h LYS 105 Cb 0.50 -0.24 0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2jpu h LYS 105 CO 0.02 0.70 -0.63 -0.22 -1.08 0.00 0.00 179.45 178.24 2jpu h LYS 106 N 1.09 0.50 -0.29 3.15 3.64 -1.11 -3.29 116.57 120.26 2jpu h LYS 106 Ca 0.31 -0.48 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 2jpu h LYS 106 Cb -0.09 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2jpu h LYS 106 CO -0.07 1.12 -0.01 1.25 -2.27 0.00 0.00 179.45 179.47 2jpu h LEU 107 N 0.06 0.52 -2.05 5.20 7.12 -0.46 -2.85 115.31 122.85 2jpu h LEU 107 Ca -0.07 -0.32 -0.01 0.00 0.13 0.00 0.00 57.88 57.62 2jpu h LEU 107 Cb 1.31 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2jpu h LEU 107 CO 0.13 0.71 -0.05 0.07 -0.13 0.00 0.00 178.44 179.17 2jpu h LYS 108 N 0.31 0.00 -0.09 1.25 2.10 -1.26 0.14 116.57 119.02 2jpu h LYS 108 Ca 0.08 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.70 2jpu h LYS 108 Cb 0.45 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2jpu h LYS 108 CO 0.02 0.05 -0.08 1.49 -2.00 0.00 0.00 179.45 178.93 2jpu h GLU 109 N 0.00 0.22 -0.32 0.07 4.57 -1.57 0.35 114.58 117.90 2jpu h GLU 109 Ca -0.00 -0.11 -0.12 0.00 -1.18 0.00 0.00 59.36 57.95 2jpu h GLU 109 Cb 0.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2jpu h GLU 109 CO 0.01 0.62 -0.28 0.22 -1.18 0.00 0.00 179.01 178.39 2jpu h ASP 110 N -0.18 0.67 0.07 1.04 3.58 -1.10 -1.92 116.42 118.57 2jpu h ASP 110 Ca 0.02 -0.25 -0.10 0.00 0.42 0.00 0.00 57.03 57.11 2jpu h ASP 110 Cb 0.58 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2jpu h ASP 110 CO 0.02 0.92 -0.32 0.58 -2.88 0.00 0.00 179.24 177.56 2jpu h VAL 111 N 0.56 1.28 -0.52 2.25 2.07 -0.81 -2.75 116.25 118.33 2jpu h VAL 111 Ca 0.07 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 2jpu h VAL 111 Cb 0.77 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2jpu h VAL 111 CO 0.06 0.42 0.31 -0.09 0.02 0.00 0.00 177.57 178.29 2jpu h ARG 112 N 0.32 0.70 -0.60 1.57 2.43 -0.14 -1.01 114.38 117.64 2jpu h ARG 112 Ca 0.04 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 2jpu h ARG 112 Cb 0.73 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.05 2jpu h ARG 112 CO 0.06 0.49 0.21 0.87 -1.51 0.00 0.00 179.97 180.08 2jpu h LYS 113 N 0.71 0.36 -0.47 0.20 1.57 -1.14 0.13 116.57 117.94 2jpu h LYS 113 Ca 0.19 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2jpu h LYS 113 Cb -0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2jpu h LYS 113 CO -0.04 0.24 0.06 1.25 -0.57 0.00 0.00 179.45 180.40 2jpu h LEU 114 N 0.38 0.76 -0.40 2.94 6.46 -1.25 -2.72 115.31 121.47 2jpu h LEU 114 Ca 0.31 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2jpu h LEU 114 Cb 0.40 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 2jpu h LEU 114 CO -0.32 0.83 0.17 0.58 -0.62 0.00 0.00 178.44 179.08 2jpu h VAL 115 N 0.65 1.19 -0.82 1.05 2.07 -0.67 -2.27 116.25 117.45 2jpu h VAL 115 Ca 0.14 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.20 2jpu h VAL 115 Cb 0.41 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2jpu h VAL 115 CO 0.01 0.21 0.53 0.40 0.02 0.00 0.00 177.57 178.74 2jpu h ILE 116 N 0.50 0.93 -0.19 4.57 1.08 -0.65 -1.04 117.51 122.71 2jpu h ILE 116 Ca 0.13 -0.25 -0.07 0.00 -0.39 0.00 0.00 64.86 64.29 2jpu h ILE 116 Cb 0.16 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.04 2jpu h ILE 116 CO -0.01 0.13 -0.15 0.15 -0.69 0.00 0.00 178.15 177.58 2jpu h PHE 117 N 0.73 0.51 -0.44 1.37 3.04 -1.10 0.95 116.94 121.99 2jpu h PHE 117 Ca 0.38 -0.14 -0.04 0.00 3.98 0.00 0.00 57.97 62.15 2jpu h PHE 117 Cb 0.50 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 2jpu h PHE 117 CO -0.00 0.77 0.11 0.00 -2.02 0.00 0.00 178.31 177.17 2jpu h ALA 118 N 0.65 0.58 -0.07 2.41 0.00 -0.98 -2.52 119.26 119.35 2jpu h ALA 118 Ca 0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2jpu h ALA 118 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jpu h ALA 118 CO 0.04 0.26 -0.43 0.28 0.00 0.00 0.00 179.25 179.40 2jpu h VAL 119 N 0.58 1.32 -0.56 0.00 2.07 -1.15 -2.63 116.25 115.87 2jpu h VAL 119 Ca 0.14 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 2jpu h VAL 119 Cb 0.32 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2jpu h VAL 119 CO 0.00 0.46 0.27 -1.13 0.02 0.00 0.00 177.57 177.19 2jpu h ASN 120 N 0.12 0.71 0.38 0.57 -0.73 -0.48 -1.89 115.58 114.26 2jpu h ASN 120 Ca 0.01 -0.07 -0.12 0.00 1.87 0.00 0.00 56.30 57.99 2jpu h ASN 120 Cb 0.82 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.22 2jpu h ASN 120 CO 0.06 0.60 -0.50 -1.28 -0.37 0.00 0.00 177.43 175.94 2jpu h SER 121 N 0.79 0.16 0.30 1.15 0.87 -1.10 -3.00 113.55 112.71 2jpu h SER 121 Ca 0.20 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 2jpu h SER 121 Cb 0.08 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2jpu h SER 121 CO -0.03 0.64 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.53 2jpu h LEU 122 N 0.11 0.03 -6.22 2.23 3.38 -1.14 -2.92 115.31 110.78 2jpu h LEU 122 Ca 0.00 -0.01 -0.77 0.00 0.09 0.00 0.00 57.88 57.20 2jpu h LEU 122 Cb 0.93 -0.01 -0.30 0.00 0.09 0.00 0.00 40.66 41.38 2jpu h LEU 122 CO 0.07 0.34 0.68 -0.62 0.09 0.00 0.00 178.44 179.00 2jpu n GLU 123 N -4.16 4.84 -0.22 1.13 1.02 -1.10 -4.84 120.64 117.31 2jpu n GLU 123 Ca -0.02 -4.68 0.00 0.00 -0.02 0.00 0.00 57.16 52.44 2jpu n GLU 123 Cb 0.36 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 2jpu n GLU 123 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2jpu n HIS 124 N 0.19 0.00 -0.22 -0.32 1.44 -1.11 -4.43 115.22 110.77 2jpu n HIS 124 Ca 0.40 -0.71 0.06 0.00 -2.01 0.00 0.00 57.72 55.46 2jpu n HIS 124 Cb 0.30 -0.36 0.32 0.00 0.12 0.00 0.00 29.99 30.37 2jpu n HIS 124 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2jpu h HIS 125 N 0.52 0.85 0.00 -1.40 6.17 -1.90 -2.10 115.15 117.29 2jpu h HIS 125 Ca 0.00 0.02 -0.29 0.00 0.71 0.00 0.00 60.37 60.82 2jpu h HIS 125 Cb 0.97 -0.28 -0.05 0.00 2.52 0.00 0.00 27.41 30.58 2jpu h HIS 125 CO 0.11 0.44 -1.92 1.58 0.71 0.00 0.00 177.93 178.84 2jpu n HIS 126 N -4.49 0.59 -2.89 5.26 -0.00 -1.26 -5.05 115.22 107.37 2jpu n HIS 126 Ca 0.12 0.21 -0.09 0.00 -0.00 0.00 0.00 57.72 57.96 2jpu n HIS 126 Cb 0.24 -1.07 0.01 0.00 -0.00 0.00 0.00 29.99 29.17 2jpu n HIS 126 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpu n HIS 127 N -2.87 -3.44 -4.91 1.57 -0.00 -0.79 -4.78 115.22 99.99 2jpu n HIS 127 Ca -0.21 1.42 0.00 0.00 0.46 0.00 0.00 57.72 59.39 2jpu n HIS 127 Cb 1.03 -3.78 0.00 0.00 -0.12 0.00 0.00 29.99 27.12 2jpu n HIS 127 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jpu n HIS 128 N -0.03 -1.68 -0.99 1.57 -0.00 -1.26 -5.17 115.22 107.65 2jpu n HIS 128 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2jpu n HIS 128 Cb 0.39 0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.51 2jpu n HIS 128 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41