#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpu s SER 2 N 0.00 6.36 0.36 3.17 0.01 -1.26 -5.04 113.70 117.30 2jpu s SER 2 Ca 0.00 -0.25 0.07 0.00 1.31 0.00 0.00 55.95 57.08 2jpu s SER 2 Cb 0.00 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 2jpu s SER 2 CO 0.00 -0.86 0.48 0.27 0.41 0.00 0.00 173.24 173.54 2jpu s ILE 3 N 3.06 3.75 -0.24 1.44 -4.36 -1.26 -4.83 121.20 118.76 2jpu s ILE 3 Ca 0.26 -1.03 -0.07 0.00 -0.26 0.00 0.00 60.65 59.55 2jpu s ILE 3 Cb -0.13 -3.29 0.03 0.00 1.25 0.00 0.00 42.46 40.32 2jpu s ILE 3 CO 0.21 -0.12 0.14 -1.20 0.24 0.00 0.00 174.94 174.21 2jpu n SER 4 N -1.67 -3.72 -4.90 4.36 7.64 -1.26 -5.02 113.62 109.06 2jpu n SER 4 Ca 0.02 1.39 -0.29 0.00 1.01 0.00 0.00 58.87 60.99 2jpu n SER 4 Cb 0.58 -5.30 0.07 0.00 -1.01 0.00 0.00 64.21 58.55 2jpu n SER 4 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jpu s THR 5 N -1.10 2.77 0.24 0.44 2.01 -1.26 -4.82 115.64 113.93 2jpu s THR 5 Ca -0.16 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 2jpu s THR 5 Cb 0.01 -3.23 0.22 0.00 0.01 0.00 0.00 72.50 69.51 2jpu s THR 5 CO 0.79 -0.29 1.71 0.28 -0.69 0.00 0.00 174.62 176.42 2jpu h SER 6 N -0.77 0.19 -0.58 3.53 0.02 -1.99 -0.80 113.55 113.16 2jpu h SER 6 Ca -0.45 0.12 0.05 0.00 -0.84 0.00 0.00 61.79 60.67 2jpu h SER 6 Cb 1.29 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.91 2jpu h SER 6 CO 0.64 0.05 0.31 0.00 -1.14 0.00 0.00 176.83 176.69 2jpu h ALA 7 N 1.57 0.75 -0.61 3.77 0.00 -1.90 0.18 119.26 123.01 2jpu h ALA 7 Ca 0.41 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2jpu h ALA 7 Cb 0.66 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2jpu h ALA 7 CO -0.44 -0.02 0.24 0.93 0.00 0.00 0.00 179.25 179.96 2jpu h GLU 8 N 0.59 0.88 0.07 0.00 5.08 -1.54 -1.80 114.58 117.86 2jpu h GLU 8 Ca 0.25 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2jpu h GLU 8 Cb 0.14 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2jpu h GLU 8 CO -0.16 0.73 -0.03 0.28 -1.00 0.00 0.00 179.01 178.83 2jpu h VAL 9 N 0.87 1.14 -0.82 3.13 2.07 -0.20 -1.39 116.25 121.06 2jpu h VAL 9 Ca 0.21 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2jpu h VAL 9 Cb 0.18 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2jpu h VAL 9 CO -0.02 0.17 0.52 1.88 0.02 0.00 0.00 177.57 180.14 2jpu h TYR 10 N -0.40 1.05 -0.25 1.57 0.05 -0.90 -1.35 116.97 116.74 2jpu h TYR 10 Ca -0.01 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 2jpu h TYR 10 Cb 0.35 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2jpu h TYR 10 CO 0.03 0.68 -0.29 -0.92 -1.05 0.00 0.00 178.16 176.61 2jpu h TYR 11 N 1.11 0.58 -0.18 4.88 3.20 -1.31 -0.09 116.97 125.16 2jpu h TYR 11 Ca 0.30 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2jpu h TYR 11 Cb -0.08 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2jpu h TYR 11 CO -0.01 0.75 0.04 1.49 -1.64 0.00 0.00 178.16 178.79 2jpu h GLU 12 N 0.44 0.29 -0.74 1.82 4.81 -0.68 0.15 114.58 120.67 2jpu h GLU 12 Ca 0.06 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2jpu h GLU 12 Cb 0.74 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 2jpu h GLU 12 CO 0.06 0.43 0.37 0.93 -0.73 0.00 0.00 179.01 180.07 2jpu h GLU 13 N 0.09 1.05 -0.25 1.92 5.08 -1.10 0.11 114.58 121.47 2jpu h GLU 13 Ca 0.05 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2jpu h GLU 13 Cb 0.28 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2jpu h GLU 13 CO 0.00 0.80 0.11 0.00 -1.00 0.00 0.00 179.01 178.92 2jpu h ALA 14 N 1.36 0.29 -0.95 3.43 0.00 -0.59 0.31 119.26 123.11 2jpu h ALA 14 Ca 0.26 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2jpu h ALA 14 Cb 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2jpu h ALA 14 CO -0.04 -0.30 0.63 0.93 0.00 0.00 0.00 179.25 180.47 2jpu h GLU 15 N 0.24 1.23 0.27 0.00 5.08 -0.22 -0.59 114.58 120.59 2jpu h GLU 15 Ca 0.11 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2jpu h GLU 15 Cb 0.05 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2jpu h GLU 15 CO -0.09 0.81 -0.13 0.93 -1.00 0.00 0.00 179.01 179.53 2jpu h GLU 16 N 1.27 -0.35 -0.46 2.33 4.39 0.01 -2.23 114.58 119.54 2jpu h GLU 16 Ca 0.36 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 60.01 2jpu h GLU 16 Cb -0.10 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2jpu h GLU 16 CO -0.09 -0.13 -0.00 0.74 -1.16 0.00 0.00 179.01 178.37 2jpu h PHE 17 N -0.51 0.81 0.00 4.33 0.04 -0.29 -1.77 116.94 119.54 2jpu h PHE 17 Ca -0.04 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.57 2jpu h PHE 17 Cb 0.38 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2jpu h PHE 17 CO -0.02 0.76 -0.24 1.25 -0.60 0.00 0.00 178.31 179.46 2jpu h LEU 18 N 0.71 0.00 0.00 1.54 5.85 -1.06 -0.50 115.31 121.86 2jpu h LEU 18 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2jpu h LEU 18 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2jpu h LEU 18 CO 0.02 0.24 -0.16 0.28 -0.34 0.00 0.00 178.44 178.48 2jpu h SER 19 N 0.00 0.00 0.20 1.25 0.02 -0.74 -3.28 113.55 111.00 2jpu h SER 19 Ca -0.00 -0.02 -0.32 0.00 -0.84 0.00 0.00 61.79 60.61 2jpu h SER 19 Cb 0.46 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.04 2jpu h SER 19 CO 0.03 0.01 -1.36 0.50 -1.14 0.00 0.00 176.83 174.87 2jpu h LYS 20 N 0.00 0.57 0.00 3.45 1.63 -0.30 -3.48 116.57 118.44 2jpu h LYS 20 Ca 0.00 -0.88 0.00 0.00 -0.85 0.00 0.00 60.65 58.92 2jpu h LYS 20 Cb 0.89 0.31 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2jpu h LYS 20 CO 0.00 1.41 0.00 0.41 -3.45 0.00 0.00 179.45 177.82 2jpu n GLY 21 N 1.58 0.95 3.52 5.01 0.00 -0.69 -5.10 105.19 110.45 2jpu n GLY 21 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2jpu n GLY 21 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jpu s ASP 22 N -0.94 6.10 0.21 1.61 -4.77 -1.19 -4.95 116.67 112.74 2jpu s ASP 22 Ca 0.00 -0.49 0.09 0.00 -3.30 0.00 0.00 52.55 48.84 2jpu s ASP 22 Cb 0.00 -2.16 0.14 0.00 -1.09 0.00 0.00 42.92 39.81 2jpu s ASP 22 CO 0.00 -0.31 1.48 -0.07 0.70 0.00 0.00 175.17 176.97 2jpu h LEU 23 N 8.59 0.02 0.68 2.11 3.38 -1.93 -3.15 115.31 125.01 2jpu h LEU 23 Ca -0.30 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2jpu h LEU 23 Cb 1.15 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.89 2jpu h LEU 23 CO 0.67 0.78 -0.33 0.58 0.09 0.00 0.00 178.44 180.23 2jpu h VAL 24 N 0.01 0.18 -0.07 1.22 2.07 -1.89 0.20 116.25 117.97 2jpu h VAL 24 Ca -0.01 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2jpu h VAL 24 Cb 1.35 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2jpu h VAL 24 CO 0.10 0.02 -0.02 1.56 0.02 0.00 0.00 177.57 179.25 2jpu h GLN 25 N -1.13 0.10 0.05 1.57 7.50 -1.88 -2.25 115.11 119.07 2jpu h GLN 25 Ca -0.09 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.04 2jpu h GLN 25 Cb 0.73 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.24 2jpu h GLN 25 CO 0.15 0.13 -0.02 0.00 -1.50 0.00 0.00 178.83 177.59 2jpu h ALA 26 N 1.88 -0.07 -0.91 3.87 0.00 -1.46 -3.11 119.26 119.47 2jpu h ALA 26 Ca 0.02 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2jpu h ALA 26 Cb 0.11 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2jpu h ALA 26 CO 0.00 -0.25 0.60 0.00 0.00 0.00 0.00 179.25 179.60 2jpu h GLU 28 N 1.17 0.85 -0.17 0.00 4.81 -1.48 -0.43 114.58 119.34 2jpu h GLU 28 Ca 0.35 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.38 2jpu h GLU 28 Cb -0.04 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 2jpu h GLU 28 CO -0.09 0.57 -0.54 0.87 -0.73 0.00 0.00 179.01 179.09 2jpu h LYS 29 N 0.88 0.48 -0.56 1.92 1.79 -1.13 -1.26 116.57 118.69 2jpu h LYS 29 Ca 0.34 -0.30 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2jpu h LYS 29 Cb 0.15 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2jpu h LYS 29 CO -0.17 0.90 0.20 1.88 -1.08 0.00 0.00 179.45 181.18 2jpu h TYR 30 N 0.37 0.88 -0.13 -1.35 0.05 -0.73 0.14 116.97 116.20 2jpu h TYR 30 Ca 0.01 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 2jpu h TYR 30 Cb 1.06 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 2jpu h TYR 30 CO 0.04 0.73 0.07 -0.92 -1.05 0.00 0.00 178.16 177.02 2jpu h TYR 31 N 0.77 0.18 0.00 4.88 3.20 -0.85 -1.59 116.97 123.56 2jpu h TYR 31 Ca 0.18 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 2jpu h TYR 31 Cb 0.24 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2jpu h TYR 31 CO 0.01 0.21 -0.47 0.87 -1.64 0.00 0.00 178.16 177.14 2jpu h LYS 32 N 0.10 0.00 -0.24 1.82 1.57 -1.12 -1.30 116.57 117.40 2jpu h LYS 32 Ca 0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2jpu h LYS 32 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2jpu h LYS 32 CO -0.01 0.47 -0.20 0.00 -0.57 0.00 0.00 179.45 179.15 2jpu h ALA 33 N 1.53 1.22 -0.16 3.86 0.00 -0.55 -2.19 119.26 122.97 2jpu h ALA 33 Ca -0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2jpu h ALA 33 Cb 0.96 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jpu h ALA 33 CO 0.06 0.51 -0.32 0.00 0.00 0.00 0.00 179.25 179.49 2jpu h ALA 34 N 1.41 0.25 -0.62 0.00 0.00 -0.51 -2.55 119.26 117.24 2jpu h ALA 34 Ca 0.07 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2jpu h ALA 34 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2jpu h ALA 34 CO 0.04 0.29 0.09 1.05 0.00 0.00 0.00 179.25 180.73 2jpu h GLU 35 N 0.13 1.01 -0.78 0.00 4.11 -1.20 -2.33 114.58 115.52 2jpu h GLU 35 Ca 0.00 -0.26 -0.03 0.00 0.07 0.00 0.00 59.36 59.14 2jpu h GLU 35 Cb 0.92 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2jpu h GLU 35 CO 0.07 0.94 0.37 0.93 0.07 0.00 0.00 179.01 181.39 2jpu h GLU 36 N 0.95 1.13 -0.29 1.06 4.39 -1.43 -1.17 114.58 119.23 2jpu h GLU 36 Ca 0.19 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.74 2jpu h GLU 36 Cb 0.42 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2jpu h GLU 36 CO 0.01 0.88 0.13 0.00 -1.16 0.00 0.00 179.01 178.87 2jpu h ALA 37 N 1.19 0.34 -0.62 3.43 0.00 -0.99 0.35 119.26 122.96 2jpu h ALA 37 Ca 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2jpu h ALA 37 Cb 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2jpu h ALA 37 CO -0.03 -0.27 0.34 0.82 0.00 0.00 0.00 179.25 180.11 2jpu h ILE 38 N 0.27 1.20 -0.26 0.00 1.08 -1.25 0.14 117.51 118.69 2jpu h ILE 38 Ca 0.12 -0.51 0.04 0.00 -0.39 0.00 0.00 64.86 64.12 2jpu h ILE 38 Cb 0.06 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.18 2jpu h ILE 38 CO -0.10 0.22 0.01 0.50 -0.69 0.00 0.00 178.15 178.10 2jpu h LYS 39 N 0.84 0.09 -0.46 2.37 3.64 -0.54 -0.31 116.57 122.20 2jpu h LYS 39 Ca 0.22 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2jpu h LYS 39 Cb 0.05 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2jpu h LYS 39 CO -0.03 0.06 0.29 -0.07 -2.27 0.00 0.00 179.45 177.43 2jpu h LEU 40 N 0.10 0.49 -0.64 5.20 4.07 0.02 -3.03 115.31 121.52 2jpu h LEU 40 Ca 0.12 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.12 2jpu h LEU 40 Cb 0.15 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 41.73 2jpu h LEU 40 CO -0.19 0.35 0.37 -0.07 -1.08 0.00 0.00 178.44 177.83 2jpu h LEU 41 N 0.59 0.59 -0.59 1.67 4.07 -0.06 -1.98 115.31 119.61 2jpu h LEU 41 Ca 0.18 0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.20 2jpu h LEU 41 Cb -0.03 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 41.55 2jpu h LEU 41 CO -0.06 0.40 0.32 0.58 -1.08 0.00 0.00 178.44 178.60 2jpu h VAL 42 N 0.72 0.99 -0.34 1.22 2.07 -0.96 0.93 116.25 120.87 2jpu h VAL 42 Ca 0.27 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 2jpu h VAL 42 Cb 0.09 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2jpu h VAL 42 CO -0.14 0.11 -0.05 0.40 0.02 0.00 0.00 177.57 177.91 2jpu h ILE 43 N 0.62 1.27 0.00 4.57 1.08 -1.36 -1.54 117.51 122.15 2jpu h ILE 43 Ca 0.26 -1.08 -0.12 0.00 -0.39 0.00 0.00 64.86 63.52 2jpu h ILE 43 Cb 0.13 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.14 2jpu h ILE 43 CO -0.15 0.35 -0.59 -0.33 -0.69 0.00 0.00 178.15 176.74 2jpu h GLU 44 N 0.44 0.00 -0.00 2.37 4.39 -1.09 -2.56 114.58 118.13 2jpu h GLU 44 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2jpu h GLU 44 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2jpu h GLU 44 CO 0.03 0.59 -0.12 0.09 -1.16 0.00 0.00 179.01 178.44 2jpu n ASN 45 N -3.48 0.19 -3.46 1.42 3.02 0.30 -4.94 115.26 108.31 2jpu n ASN 45 Ca 0.00 0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 2jpu n ASN 45 Cb 0.68 -0.24 0.08 0.00 -0.61 0.00 0.00 39.78 39.69 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 -1.37 -3.75 -4.57 6.41 5.15 -0.71 -4.89 115.26 111.52 2jpu n ASN 46 Ca 0.09 -0.58 -0.41 0.00 -0.60 0.00 0.00 54.58 53.08 2jpu n ASN 46 Cb 0.32 -5.03 -0.01 0.00 -0.53 0.00 0.00 39.78 34.52 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 -6.67 3.66 0.33 1.20 1.43 -0.66 -4.76 118.68 113.22 2jpu s LEU 47 Ca 0.23 -2.02 0.11 0.00 -1.03 0.00 0.00 54.13 51.41 2jpu s LEU 47 Cb -0.10 -2.58 0.58 0.00 0.03 0.00 0.00 46.19 44.12 2jpu s LEU 47 CO 0.72 -1.43 1.75 0.50 0.23 0.00 0.00 176.35 178.12 2jpu h LYS 48 N 8.54 0.07 -0.85 1.70 3.64 -1.90 -2.16 116.57 125.61 2jpu h LYS 48 Ca 0.34 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.74 2jpu h LYS 48 Cb 0.92 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 2jpu h LYS 48 CO 1.43 0.48 0.53 0.93 -2.27 0.00 0.00 179.45 180.56 2jpu h GLU 49 N 0.06 0.96 -0.08 1.90 4.39 -1.99 0.22 114.58 120.03 2jpu h GLU 49 Ca 0.00 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.45 2jpu h GLU 49 Cb 0.78 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2jpu h GLU 49 CO 0.06 0.64 -0.70 0.82 -1.16 0.00 0.00 179.01 178.67 2jpu h ILE 50 N 0.99 1.33 0.00 3.13 1.08 -1.88 -3.11 117.51 119.05 2jpu h ILE 50 Ca 0.36 -1.99 -0.04 0.00 -0.39 0.00 0.00 64.86 62.80 2jpu h ILE 50 Cb 0.12 2.23 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 2jpu h ILE 50 CO -0.15 0.61 -0.19 0.71 -0.69 0.00 0.00 178.15 178.44 2jpu h THR 51 N 0.26 0.49 0.00 -0.27 1.35 -1.03 -1.49 112.91 112.21 2jpu h THR 51 Ca -0.06 -0.98 -0.09 0.00 -0.55 0.00 0.00 66.41 64.73 2jpu h THR 51 Cb 1.35 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 69.44 2jpu h THR 51 CO 0.14 0.18 -0.42 0.78 -0.25 0.00 0.00 175.52 175.96 2jpu h ASN 52 N 0.00 0.00 1.43 5.36 2.35 -0.56 -2.49 115.58 121.67 2jpu h ASN 52 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2jpu h ASN 52 Cb 0.67 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 2jpu h ASN 52 CO 0.02 0.42 -0.05 0.78 -1.65 0.00 0.00 177.43 176.95 2jpu h ASN 53 N 0.00 0.00 -0.53 5.81 -0.26 -1.21 -2.55 115.58 116.85 2jpu h ASN 53 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2jpu h ASN 53 Cb 0.82 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 2jpu h ASN 53 CO 0.05 0.05 0.00 0.52 -1.06 0.00 0.00 177.43 176.99 2jpu n VAL 54 N -3.13 0.69 -0.20 2.81 0.31 -0.97 -4.28 118.33 113.55 2jpu n VAL 54 Ca 0.02 -0.80 0.04 0.00 -0.01 0.00 0.00 64.34 63.58 2jpu n VAL 54 Cb 0.43 0.67 0.30 0.00 -0.91 0.00 0.00 33.84 34.33 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 4.06 0.86 0.00 5.55 1.63 -1.05 -2.16 116.57 125.47 2jpu h LYS 55 Ca 0.00 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.69 2jpu h LYS 55 Cb 0.91 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.34 2jpu h LYS 55 CO 0.00 0.57 -0.96 -0.97 -3.45 0.00 0.00 179.45 174.64 2jpu h ASN 56 N 0.89 0.00 -3.03 4.20 -0.73 -1.79 -3.47 115.58 111.64 2jpu h ASN 56 Ca 0.30 0.00 -0.45 0.00 1.87 0.00 0.00 56.30 58.02 2jpu h ASN 56 Cb 0.09 0.00 0.05 0.00 0.27 0.00 0.00 38.32 38.73 2jpu h ASN 56 CO -0.09 0.20 0.06 -0.54 -0.37 0.00 0.00 177.43 176.68 2jpu s LYS 57 N -3.20 2.54 0.00 6.67 -0.14 -0.81 -5.02 119.74 119.79 2jpu s LYS 57 Ca 0.00 -0.51 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 2jpu s LYS 57 Cb 0.09 -2.38 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 2jpu s LYS 57 CO 0.78 -0.81 0.00 0.41 -0.76 0.00 0.00 175.35 174.96 2jpu n GLY 58 N -2.51 0.42 3.09 -3.33 0.00 -1.26 -4.97 105.19 96.63 2jpu n GLY 58 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.48 0.74 0.08 1.61 6.06 -1.26 -5.12 118.95 119.59 2jpu s ARG 59 Ca 0.00 -0.64 -0.31 0.00 -2.50 0.00 0.00 55.73 52.28 2jpu s ARG 59 Cb 0.00 -0.69 -0.08 0.00 0.06 0.00 0.00 34.95 34.24 2jpu s ARG 59 CO 0.00 0.17 1.55 -1.58 -2.50 0.00 0.00 175.30 172.94 2jpu s TRP 60 N -0.83 2.74 0.14 5.12 0.52 -1.26 -4.99 118.94 120.40 2jpu s TRP 60 Ca -0.01 0.56 -0.30 0.00 0.02 0.00 0.00 56.10 56.37 2jpu s TRP 60 Cb -0.07 -3.86 -0.07 0.00 -1.15 0.00 0.00 33.47 28.32 2jpu s TRP 60 CO 0.01 -3.31 0.94 0.15 0.02 0.00 0.00 176.95 174.75 2jpu s LYS 61 N 2.08 4.73 0.46 4.98 1.02 -1.26 -4.94 119.74 126.81 2jpu s LYS 61 Ca 0.70 1.43 0.12 0.00 0.02 0.00 0.00 55.97 58.24 2jpu s LYS 61 Cb -0.39 -3.35 1.07 0.00 -0.52 0.00 0.00 37.83 34.65 2jpu s LYS 61 CO 0.31 0.31 2.09 0.77 -0.92 0.00 0.00 175.35 177.91 2jpu h SER 62 N 5.16 0.24 -0.38 2.83 0.02 -1.99 0.54 113.55 119.97 2jpu h SER 62 Ca -0.44 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.40 2jpu h SER 62 Cb 1.21 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2jpu h SER 62 CO 0.71 0.17 -0.18 -0.08 -1.14 0.00 0.00 176.83 176.30 2jpu h GLU 63 N 0.28 0.80 -0.30 3.45 4.22 -2.00 -2.69 114.58 118.35 2jpu h GLU 63 Ca 0.09 -0.35 -0.06 0.00 0.08 0.00 0.00 59.36 59.12 2jpu h GLU 63 Cb 0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2jpu h GLU 63 CO -0.02 0.97 -0.09 -0.97 -2.18 0.00 0.00 179.01 176.72 2jpu h ASN 64 N 0.60 0.46 -0.57 1.04 -1.24 -1.62 -1.92 115.58 112.34 2jpu h ASN 64 Ca 0.09 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 2jpu h ASN 64 Cb 0.73 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.63 2jpu h ASN 64 CO 0.06 0.60 0.29 -0.07 -1.29 0.00 0.00 177.43 177.01 2jpu h LEU 65 N 0.46 0.76 -0.48 0.34 3.38 -0.76 -0.29 115.31 118.71 2jpu h LEU 65 Ca 0.09 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 2jpu h LEU 65 Cb 0.44 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jpu h LEU 65 CO 0.02 0.65 -0.55 0.15 0.09 0.00 0.00 178.44 178.80 2jpu h PHE 66 N 0.84 0.76 0.01 1.13 3.57 -1.08 -1.64 116.94 120.54 2jpu h PHE 66 Ca 0.21 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2jpu h PHE 66 Cb 0.09 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2jpu h PHE 66 CO 0.01 1.02 -0.00 -0.22 -2.23 0.00 0.00 178.31 176.88 2jpu h LYS 67 N 0.46 -0.01 0.08 1.11 3.64 -0.68 -0.86 116.57 120.30 2jpu h LYS 67 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2jpu h LYS 67 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2jpu h LYS 67 CO 0.11 0.02 -0.04 0.00 -2.27 0.00 0.00 179.45 177.27 2jpu h ALA 68 N 0.95 -0.10 -0.11 5.00 0.00 -1.06 -2.86 119.26 121.08 2jpu h ALA 68 Ca -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2jpu h ALA 68 Cb 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jpu h ALA 68 CO 0.00 -0.50 -0.16 0.66 0.00 0.00 0.00 179.25 179.25 2jpu h SER 69 N -0.22 0.16 -0.36 0.00 4.64 -1.25 -1.24 113.55 115.29 2jpu h SER 69 Ca -0.01 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2jpu h SER 69 Cb 0.18 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2jpu h SER 69 CO 0.02 0.35 0.22 0.50 -0.87 0.00 0.00 176.83 177.04 2jpu h LYS 70 N 0.16 0.44 -0.25 4.77 3.64 -1.04 -2.32 116.57 121.98 2jpu h LYS 70 Ca 0.03 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 2jpu h LYS 70 Cb 0.39 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2jpu h LYS 70 CO 0.02 0.29 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.19 2jpu h LEU 71 N 0.45 0.46 0.00 5.20 3.38 -1.16 -2.91 115.31 120.74 2jpu h LEU 71 Ca 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jpu h LEU 71 Cb -0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2jpu h LEU 71 CO -0.05 0.70 0.00 0.18 0.09 0.00 0.00 178.44 179.36 2jpu n LEU 72 N -4.13 0.00 0.28 1.67 4.77 -0.53 -2.60 117.00 116.45 2jpu n LEU 72 Ca -0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 2jpu n LEU 72 Cb 0.39 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.28 2jpu n LEU 72 CO 0.42 0.00 1.06 -0.09 -1.33 0.00 0.00 177.39 177.45 2jpu h ARG 73 N 0.00 0.00 0.00 3.23 1.12 -1.43 -0.32 114.38 116.97 2jpu h ARG 73 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 2jpu h ARG 73 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2jpu h ARG 73 CO 0.00 0.05 -0.33 1.03 -3.11 0.00 0.00 179.97 177.60 2jpu h SER 74 N 0.00 0.00 0.00 -3.80 0.87 -1.77 -3.22 113.55 105.63 2jpu h SER 74 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2jpu h SER 74 Cb 0.11 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2jpu h SER 74 CO 0.01 0.33 -0.18 -1.13 -0.53 0.00 0.00 176.83 175.33 2jpu h ASN 75 N 0.00 0.00 -3.00 6.23 -0.73 -1.34 -3.47 115.58 113.27 2jpu h ASN 75 Ca -0.00 -0.53 -0.15 0.00 1.87 0.00 0.00 56.30 57.48 2jpu h ASN 75 Cb 0.73 0.00 -0.29 0.00 0.27 0.00 0.00 38.32 39.03 2jpu h ASN 75 CO 0.04 0.87 -0.41 0.21 -0.37 0.00 0.00 177.43 177.77 2jpu s ASN 76 N -6.03 -0.19 0.51 1.15 2.47 -0.61 -5.05 114.94 107.19 2jpu s ASN 76 Ca -0.13 0.76 0.26 0.00 0.42 0.00 0.00 52.86 54.16 2jpu s ASN 76 Cb -0.01 0.80 1.36 0.00 -1.45 0.00 0.00 41.25 41.95 2jpu s ASN 76 CO 0.41 -0.21 2.04 0.71 -3.72 0.00 0.00 177.10 176.33 2jpu h THR 77 N 5.94 0.62 -0.47 -5.21 1.35 -1.82 -2.20 112.91 111.12 2jpu h THR 77 Ca -0.27 -0.61 -0.05 0.00 -0.55 0.00 0.00 66.41 64.92 2jpu h THR 77 Cb 1.14 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 2jpu h THR 77 CO 0.23 0.14 0.07 -0.33 -0.25 0.00 0.00 175.52 175.39 2jpu h GLU 78 N 0.00 0.73 -0.25 4.72 5.08 -1.93 -3.36 114.58 119.56 2jpu h GLU 78 Ca -0.00 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2jpu h GLU 78 Cb 0.38 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 2jpu h GLU 78 CO 0.02 0.69 -0.46 0.82 -1.00 0.00 0.00 179.01 179.08 2jpu h ILE 79 N 0.70 0.09 -0.23 3.13 2.04 -1.71 0.45 117.51 121.97 2jpu h ILE 79 Ca 0.15 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 2jpu h ILE 79 Cb 0.32 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2jpu h ILE 79 CO 0.00 0.00 0.05 1.55 0.00 0.00 0.00 178.15 179.75 2jpu h PRO 80 N -0.44 0.33 0.01 2.37 0.13 -1.70 -1.64 132.00 131.06 2jpu h PRO 80 Ca 0.09 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.00 2jpu h PRO 80 Cb 0.62 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.70 2jpu h PRO 80 CO -0.48 0.32 -0.69 0.82 -0.23 0.00 0.00 178.00 177.74 2jpu h ILE 81 N 0.33 1.41 -0.19 -3.56 2.04 -1.28 -1.55 117.51 114.72 2jpu h ILE 81 Ca 0.08 -2.14 0.01 0.00 1.00 0.00 0.00 64.86 63.81 2jpu h ILE 81 Cb 0.15 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2jpu h ILE 81 CO -0.00 0.63 0.10 -0.07 0.00 0.00 0.00 178.15 178.80 2jpu h LEU 82 N -0.04 0.15 -0.77 1.44 3.38 0.09 0.37 115.31 119.91 2jpu h LEU 82 Ca -0.09 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2jpu h LEU 82 Cb 1.40 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2jpu h LEU 82 CO 0.14 0.11 -0.01 -0.25 0.09 0.00 0.00 178.44 178.52 2jpu h TRP 83 N 0.20 1.00 -0.27 1.13 2.91 -1.39 -2.28 115.95 117.26 2jpu h TRP 83 Ca 0.07 -0.16 0.02 0.00 1.13 0.00 0.00 58.89 59.96 2jpu h TRP 83 Cb 0.01 -0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 28.37 2jpu h TRP 83 CO -0.09 0.90 0.11 -0.22 -1.03 0.00 0.00 178.44 178.12 2jpu h LYS 84 N 0.85 0.23 -0.73 2.65 3.64 -0.69 0.38 116.57 122.91 2jpu h LYS 84 Ca 0.16 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2jpu h LYS 84 Cb 0.51 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2jpu h LYS 84 CO 0.03 0.16 0.47 0.77 -2.27 0.00 0.00 179.45 178.60 2jpu h SER 85 N 0.24 0.80 -0.49 4.20 0.02 -0.77 0.34 113.55 117.88 2jpu h SER 85 Ca 0.11 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2jpu h SER 85 Cb 0.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2jpu h SER 85 CO -0.10 0.56 0.02 0.00 -1.14 0.00 0.00 176.83 176.18 2jpu h ALA 86 N 1.29 0.66 -0.92 3.77 0.00 -0.95 -2.64 119.26 120.48 2jpu h ALA 86 Ca 0.28 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jpu h ALA 86 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2jpu h ALA 86 CO -0.08 0.45 0.57 2.35 0.00 0.00 0.00 179.25 182.53 2jpu h TRP 87 N 0.72 1.19 -0.51 0.00 2.91 0.30 -2.25 115.95 118.31 2jpu h TRP 87 Ca 0.14 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.21 2jpu h TRP 87 Cb 0.48 -0.40 -0.03 0.00 -0.51 0.00 0.00 29.16 28.71 2jpu h TRP 87 CO 0.04 0.78 0.34 1.15 -1.03 0.00 0.00 178.44 179.72 2jpu h THR 88 N 1.26 1.04 -0.73 2.65 2.02 0.00 0.55 112.91 119.70 2jpu h THR 88 Ca 0.33 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 2jpu h THR 88 Cb -0.08 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 2jpu h THR 88 CO -0.06 0.10 0.43 -0.07 0.37 0.00 0.00 175.52 176.29 2jpu h LEU 89 N 0.55 0.88 0.08 2.58 3.38 -1.15 0.24 115.31 121.87 2jpu h LEU 89 Ca 0.21 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.85 2jpu h LEU 89 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2jpu h LEU 89 CO -0.05 0.68 -1.36 -0.74 0.09 0.00 0.00 178.44 177.06 2jpu h HIS 90 N 1.01 0.30 -0.28 1.13 2.76 -1.25 -3.18 115.15 115.64 2jpu h HIS 90 Ca 0.26 -0.22 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 2jpu h HIS 90 Cb -0.03 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 2jpu h HIS 90 CO 0.00 1.23 -0.15 0.28 -1.30 0.00 0.00 177.93 177.99 2jpu h VAL 91 N 0.05 1.23 0.00 5.26 2.07 -0.53 -3.28 116.25 121.05 2jpu h VAL 91 Ca -0.17 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2jpu h VAL 91 Cb 1.95 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 2jpu h VAL 91 CO 0.15 0.34 0.00 1.21 0.02 0.00 0.00 177.57 179.29 2jpu n GLU 92 N -4.19 0.00 -4.26 1.57 4.07 0.79 -4.84 120.64 113.79 2jpu n GLU 92 Ca 0.00 0.06 -0.35 0.00 -0.06 0.00 0.00 57.16 56.82 2jpu n GLU 92 Cb 0.33 -0.94 -0.05 0.00 -0.06 0.00 0.00 31.44 30.73 2jpu n GLU 92 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jpu n GLY 93 N -0.50 -0.34 0.22 8.31 0.00 -1.20 -4.83 105.19 106.85 2jpu n GLY 93 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 2jpu n GLY 93 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jpu h PHE 94 N -1.48 0.37 0.00 1.61 3.57 -1.91 -3.45 116.94 115.65 2jpu h PHE 94 Ca -0.61 0.03 0.00 0.00 3.53 0.00 0.00 57.97 60.91 2jpu h PHE 94 Cb 1.39 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2jpu h PHE 94 CO 0.60 0.12 0.00 1.58 -2.23 0.00 0.00 178.31 178.39 2jpu n HIS 95 N -4.98 -0.61 -3.69 0.41 -0.00 -1.26 -5.12 115.22 99.96 2jpu n HIS 95 Ca 0.07 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.88 2jpu n HIS 95 Cb 0.22 0.18 -0.07 0.00 -0.12 0.00 0.00 29.99 30.20 2jpu n HIS 95 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2jpu s GLU 96 N -0.36 3.87 -1.22 1.57 2.12 -1.26 -5.01 118.70 118.41 2jpu s GLU 96 Ca 0.00 0.02 -0.19 0.00 0.36 0.00 0.00 54.97 55.16 2jpu s GLU 96 Cb 0.00 -3.29 0.07 0.00 0.26 0.00 0.00 34.13 31.16 2jpu s GLU 96 CO 0.00 0.54 1.66 -0.51 -0.54 0.00 0.00 175.26 176.41 2jpu s LEU 97 N -0.43 3.78 0.08 2.70 2.01 -1.26 -4.06 118.68 121.51 2jpu s LEU 97 Ca 0.16 -2.20 0.00 0.00 0.01 0.00 0.00 54.13 52.10 2jpu s LEU 97 Cb -0.13 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.50 2jpu s LEU 97 CO 0.05 -1.25 0.00 -0.24 1.01 0.00 0.00 176.35 175.92 2jpu n SER 98 N 8.46 -0.46 -0.25 2.29 2.88 -1.26 -4.22 113.62 121.06 2jpu n SER 98 Ca 0.44 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2jpu n SER 98 Cb 0.47 0.64 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 2jpu n SER 98 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jpu n LEU 99 N -2.71 0.00 -4.84 2.46 4.77 -1.26 -4.74 117.00 110.68 2jpu n LEU 99 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 2jpu n LEU 99 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2jpu n LEU 99 CO 0.00 -0.70 0.15 0.20 -1.33 0.00 0.00 177.39 175.71 2jpu s ASN 100 N -4.00 6.83 0.35 -1.43 -0.87 -1.26 -4.96 114.94 109.59 2jpu s ASN 100 Ca 0.00 1.01 0.02 0.00 -1.57 0.00 0.00 52.86 52.32 2jpu s ASN 100 Cb 0.00 -2.26 0.63 0.00 -0.02 0.00 0.00 41.25 39.59 2jpu s ASN 100 CO 0.00 0.26 2.01 -0.08 -2.57 0.00 0.00 177.10 176.72 2jpu h GLU 101 N 4.35 0.85 -0.56 -0.60 4.81 -1.98 -0.23 114.58 121.21 2jpu h GLU 101 Ca -0.50 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 58.78 2jpu h GLU 101 Cb 1.21 -0.19 -0.08 0.00 0.63 0.00 0.00 28.75 30.32 2jpu h GLU 101 CO 0.63 0.56 0.11 -0.22 -0.73 0.00 0.00 179.01 179.36 2jpu h LYS 102 N 0.87 0.23 0.01 1.92 3.64 -1.99 0.15 116.57 121.40 2jpu h LYS 102 Ca 0.24 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2jpu h LYS 102 Cb -0.10 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2jpu h LYS 102 CO -0.05 0.15 -0.00 1.49 -2.27 0.00 0.00 179.45 178.77 2jpu h GLU 103 N 0.24 -0.01 -0.20 1.90 4.57 -1.67 -3.22 114.58 116.19 2jpu h GLU 103 Ca 0.29 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.49 2jpu h GLU 103 Cb 0.42 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2jpu h GLU 103 CO -0.38 0.69 0.14 0.28 -1.18 0.00 0.00 179.01 178.56 2jpu h VAL 104 N -0.73 1.01 -0.94 0.32 2.07 -1.00 -2.38 116.25 114.61 2jpu h VAL 104 Ca -0.00 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.57 2jpu h VAL 104 Cb 0.71 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 2jpu h VAL 104 CO 0.00 0.04 0.56 0.50 0.02 0.00 0.00 177.57 178.69 2jpu h LYS 105 N 0.20 0.86 -0.11 1.57 3.64 -0.70 0.28 116.57 122.30 2jpu h LYS 105 Ca 0.08 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.19 2jpu h LYS 105 Cb 0.09 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2jpu h LYS 105 CO -0.02 0.57 -0.78 0.87 -2.27 0.00 0.00 179.45 177.82 2jpu h LYS 106 N 0.88 0.72 -0.28 1.90 1.57 -1.53 -3.14 116.57 116.70 2jpu h LYS 106 Ca 0.47 -0.63 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 2jpu h LYS 106 Cb 0.50 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2jpu h LYS 106 CO -0.28 1.24 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.67 2jpu h LEU 107 N 0.42 0.44 -1.11 2.94 -0.00 -1.32 -2.35 115.31 114.34 2jpu h LEU 107 Ca -0.07 -0.10 0.12 0.00 -0.00 0.00 0.00 57.88 57.83 2jpu h LEU 107 Cb 1.42 -0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 41.89 2jpu h LEU 107 CO 0.16 0.58 0.61 0.50 -0.00 0.00 0.00 178.44 180.29 2jpu h LYS 108 N 0.44 0.89 -0.04 1.13 3.11 -0.43 0.26 116.57 121.93 2jpu h LYS 108 Ca 0.09 -0.05 -0.15 0.00 -2.81 0.00 0.00 60.65 57.72 2jpu h LYS 108 Cb 0.43 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 2jpu h LYS 108 CO 0.02 0.59 -0.65 1.49 -2.81 0.00 0.00 179.45 178.09 2jpu h GLU 109 N 0.91 0.18 0.03 1.90 4.57 -1.44 -2.25 114.58 118.48 2jpu h GLU 109 Ca 0.47 -0.14 -0.21 0.00 -1.18 0.00 0.00 59.36 58.30 2jpu h GLU 109 Cb 0.51 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 2jpu h GLU 109 CO -0.23 0.77 -0.97 -0.44 -1.18 0.00 0.00 179.01 176.96 2jpu h ASP 110 N 0.13 0.17 0.13 1.04 3.32 -0.83 -2.52 116.42 117.86 2jpu h ASP 110 Ca -0.01 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 2jpu h ASP 110 Cb 1.17 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2jpu h ASP 110 CO 0.10 1.04 -0.35 0.58 -1.72 0.00 0.00 179.24 178.88 2jpu h VAL 111 N 0.05 1.29 -0.92 -1.35 2.07 -0.53 -2.29 116.25 114.57 2jpu h VAL 111 Ca -0.04 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.10 2jpu h VAL 111 Cb 1.66 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.95 2jpu h VAL 111 CO 0.14 0.43 0.60 -0.09 0.02 0.00 0.00 177.57 178.67 2jpu h ARG 112 N 0.27 1.11 0.25 1.57 9.65 -1.16 -0.88 114.38 125.19 2jpu h ARG 112 Ca 0.03 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2jpu h ARG 112 Cb 0.76 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 2jpu h ARG 112 CO 0.06 0.74 -0.27 0.87 2.80 0.00 0.00 179.97 184.17 2jpu h LYS 113 N 1.15 -0.54 -0.38 0.20 1.79 -0.99 -2.41 116.57 115.38 2jpu h LYS 113 Ca 0.37 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 2jpu h LYS 113 Cb 0.02 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 2jpu h LYS 113 CO -0.11 -0.36 0.24 -0.07 -1.08 0.00 0.00 179.45 178.07 2jpu h LEU 114 N -0.56 0.44 -0.17 2.94 4.07 -1.03 0.75 115.31 121.74 2jpu h LEU 114 Ca -0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 2jpu h LEU 114 Cb 0.52 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2jpu h LEU 114 CO -0.07 0.33 0.03 0.58 -1.08 0.00 0.00 178.44 178.23 2jpu h VAL 115 N 0.50 1.21 -0.42 1.22 2.07 -1.17 0.10 116.25 119.77 2jpu h VAL 115 Ca 0.14 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2jpu h VAL 115 Cb -0.04 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2jpu h VAL 115 CO -0.03 0.21 0.07 0.40 0.02 0.00 0.00 177.57 178.24 2jpu h ILE 116 N 0.08 1.20 -0.26 4.57 2.04 -1.33 -2.51 117.51 121.30 2jpu h ILE 116 Ca 0.05 -0.75 -0.15 0.00 1.00 0.00 0.00 64.86 65.01 2jpu h ILE 116 Cb 0.29 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2jpu h ILE 116 CO 0.00 0.27 -0.42 0.15 0.00 0.00 0.00 178.15 178.15 2jpu h PHE 117 N 0.61 0.92 -0.16 1.37 3.57 -0.29 0.28 116.94 123.25 2jpu h PHE 117 Ca 0.14 -0.32 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 2jpu h PHE 117 Cb 0.29 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2jpu h PHE 117 CO 0.01 1.10 0.05 0.00 -2.23 0.00 0.00 178.31 177.25 2jpu h ALA 118 N 0.66 0.20 -0.39 2.41 0.00 -0.73 0.36 119.26 121.77 2jpu h ALA 118 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2jpu h ALA 118 Cb 1.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2jpu h ALA 118 CO 0.10 -0.18 -0.05 0.28 0.00 0.00 0.00 179.25 179.39 2jpu h VAL 119 N 0.08 1.23 -0.57 0.00 2.07 -1.36 -1.02 116.25 116.67 2jpu h VAL 119 Ca 0.05 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 2jpu h VAL 119 Cb 0.21 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2jpu h VAL 119 CO -0.00 0.34 0.14 -1.13 0.02 0.00 0.00 177.57 176.94 2jpu h ASN 120 N 0.61 0.82 -0.73 0.57 -0.00 -0.16 0.40 115.58 117.09 2jpu h ASN 120 Ca 0.12 -0.15 -0.05 0.00 -0.00 0.00 0.00 56.30 56.23 2jpu h ASN 120 Cb 0.46 -0.21 -0.03 0.00 -0.00 0.00 0.00 38.32 38.54 2jpu h ASN 120 CO 0.02 0.80 0.28 0.28 -0.00 0.00 0.00 177.43 178.81 2jpu h SER 121 N 0.84 1.02 0.00 1.15 0.02 0.71 -3.35 113.55 113.94 2jpu h SER 121 Ca 0.19 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jpu h SER 121 Cb 0.30 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2jpu h SER 121 CO -0.00 0.92 0.00 0.18 -1.14 0.00 0.00 176.83 176.79 2jpu n LEU 122 N -4.33 1.62 -3.94 5.07 4.32 -0.49 -4.94 117.00 114.32 2jpu n LEU 122 Ca 0.06 0.26 -0.26 0.00 -0.02 0.00 0.00 56.01 56.05 2jpu n LEU 122 Cb 0.19 -0.14 -0.02 0.00 -1.62 0.00 0.00 43.42 41.83 2jpu n LEU 122 CO 0.40 -0.14 -0.22 -0.62 -1.22 0.00 0.00 177.39 175.59 2jpu n GLU 123 N -0.93 -3.05 -0.69 3.23 1.02 0.09 -4.83 120.64 115.48 2jpu n GLU 123 Ca 0.00 0.40 -0.07 0.00 -0.02 0.00 0.00 57.16 57.47 2jpu n GLU 123 Cb 0.00 -4.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.97 2jpu n GLU 123 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jpu n HIS 124 N -4.40 0.58 -1.42 -0.32 -0.00 -1.26 -4.72 115.22 103.68 2jpu n HIS 124 Ca -0.29 -1.39 -0.37 0.00 0.46 0.00 0.00 57.72 56.13 2jpu n HIS 124 Cb 0.68 -0.75 -0.04 0.00 -0.12 0.00 0.00 29.99 29.76 2jpu n HIS 124 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jpu n HIS 125 N 1.14 2.22 0.00 1.57 -0.00 -1.26 -4.83 115.22 114.07 2jpu n HIS 125 Ca 0.14 -2.88 0.00 0.00 -0.00 0.00 0.00 57.72 54.98 2jpu n HIS 125 Cb 0.55 -2.27 0.00 0.00 -0.00 0.00 0.00 29.99 28.27 2jpu n HIS 125 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpu n HIS 126 N 3.07 0.00 -3.69 1.57 -0.00 -1.26 -4.60 115.22 110.31 2jpu n HIS 126 Ca 0.72 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 58.30 2jpu n HIS 126 Cb 0.30 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.20 2jpu n HIS 126 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jpu s HIS 127 N 0.00 -0.53 -0.16 1.57 5.65 -1.26 -5.13 115.29 115.44 2jpu s HIS 127 Ca 0.00 1.21 -0.29 0.00 0.25 0.00 0.00 55.06 56.23 2jpu s HIS 127 Cb 0.00 0.21 -0.02 0.00 -1.18 0.00 0.00 32.58 31.59 2jpu s HIS 127 CO 0.00 -0.33 1.34 -1.01 -0.65 0.00 0.00 174.74 174.10 2jpu s HIS 128 N -0.10 2.67 -1.61 3.88 0.09 -1.26 -5.16 115.29 113.80 2jpu s HIS 128 Ca -0.03 0.85 0.13 0.00 -0.00 0.00 0.00 55.06 56.01 2jpu s HIS 128 Cb -0.03 -3.61 0.10 0.00 -0.00 0.00 0.00 32.58 29.04 2jpu s HIS 128 CO 0.02 -2.11 0.91 1.58 -0.00 0.00 0.00 174.74 175.14