#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpu n SER 2 N 0.00 2.03 -3.57 6.12 7.64 -1.26 -5.01 113.62 119.58 2jpu n SER 2 Ca 0.00 0.17 -0.22 0.00 1.01 0.00 0.00 58.87 59.83 2jpu n SER 2 Cb 0.00 -0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 62.39 2jpu n SER 2 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2jpu n ILE 3 N -3.43 0.00 -3.76 0.44 -5.35 -1.26 -4.87 119.36 101.13 2jpu n ILE 3 Ca -0.33 -1.94 -0.25 0.00 -0.27 0.00 0.00 62.75 59.96 2jpu n ILE 3 Cb 1.04 0.64 0.03 0.00 -1.74 0.00 0.00 39.64 39.62 2jpu n ILE 3 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2jpu n SER 4 N -1.55 -2.82 -4.73 7.28 7.64 -1.26 -4.93 113.62 113.24 2jpu n SER 4 Ca -0.07 -0.78 -0.31 0.00 1.01 0.00 0.00 58.87 58.72 2jpu n SER 4 Cb 0.50 -4.09 0.12 0.00 -1.01 0.00 0.00 64.21 59.73 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 -3.51 2.85 0.27 0.44 2.01 -1.26 -4.69 115.64 111.75 2jpu s THR 5 Ca 0.28 0.28 -0.00 0.00 0.31 0.00 0.00 61.69 62.55 2jpu s THR 5 Cb -0.14 -2.59 0.25 0.00 0.01 0.00 0.00 72.50 70.03 2jpu s THR 5 CO 0.81 -0.36 1.79 0.77 -0.69 0.00 0.00 174.62 176.94 2jpu h SER 6 N -1.39 0.66 -0.28 3.53 4.64 -1.98 -0.56 113.55 118.16 2jpu h SER 6 Ca -0.43 0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.01 2jpu h SER 6 Cb 1.25 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 2jpu h SER 6 CO 0.48 0.30 0.00 0.00 -0.87 0.00 0.00 176.83 176.75 2jpu h ALA 7 N 1.55 0.25 -0.51 5.18 0.00 -1.88 0.01 119.26 123.85 2jpu h ALA 7 Ca 0.47 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.48 2jpu h ALA 7 Cb 0.60 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2jpu h ALA 7 CO -0.33 -0.41 0.31 0.93 0.00 0.00 0.00 179.25 179.76 2jpu h GLU 8 N 0.09 0.61 0.03 0.00 4.39 -1.55 -0.95 114.58 117.20 2jpu h GLU 8 Ca 0.13 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.82 2jpu h GLU 8 Cb 0.17 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2jpu h GLU 8 CO -0.22 0.40 -0.15 0.28 -1.16 0.00 0.00 179.01 178.16 2jpu h VAL 9 N 0.63 0.65 -0.52 3.13 2.07 -0.34 0.20 116.25 122.07 2jpu h VAL 9 Ca 0.20 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.65 2jpu h VAL 9 Cb -0.00 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2jpu h VAL 9 CO -0.08 0.00 0.06 1.88 0.02 0.00 0.00 177.57 179.44 2jpu h TYR 10 N -0.26 0.94 -0.70 1.57 0.05 -0.92 -2.35 116.97 115.30 2jpu h TYR 10 Ca 0.04 -0.14 -0.07 0.00 0.05 0.00 0.00 58.73 58.61 2jpu h TYR 10 Cb 0.31 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 2jpu h TYR 10 CO -0.19 0.85 0.16 -0.92 -1.05 0.00 0.00 178.16 177.02 2jpu h TYR 11 N 0.75 1.19 -0.00 4.88 3.20 -0.94 0.10 116.97 126.15 2jpu h TYR 11 Ca 0.15 -0.14 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2jpu h TYR 11 Cb 0.44 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 2jpu h TYR 11 CO 0.03 0.97 -0.09 1.49 -1.64 0.00 0.00 178.16 178.92 2jpu h GLU 12 N 1.07 -0.15 -0.89 1.82 4.81 -0.42 0.19 114.58 121.00 2jpu h GLU 12 Ca 0.22 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2jpu h GLU 12 Cb 0.38 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2jpu h GLU 12 CO 0.00 -0.10 0.48 0.93 -0.73 0.00 0.00 179.01 179.59 2jpu h GLU 13 N -0.16 1.25 -0.57 1.92 5.08 -1.19 0.15 114.58 121.06 2jpu h GLU 13 Ca 0.04 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2jpu h GLU 13 Cb 0.20 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2jpu h GLU 13 CO -0.10 0.92 0.35 0.00 -1.00 0.00 0.00 179.01 179.18 2jpu h ALA 14 N 1.28 0.73 -0.53 3.43 0.00 -0.48 0.18 119.26 123.87 2jpu h ALA 14 Ca 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2jpu h ALA 14 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2jpu h ALA 14 CO -0.05 0.10 0.10 0.93 0.00 0.00 0.00 179.25 180.33 2jpu h GLU 15 N 0.71 0.83 -0.53 0.00 5.08 0.03 0.39 114.58 121.09 2jpu h GLU 15 Ca 0.22 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 2jpu h GLU 15 Cb -0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2jpu h GLU 15 CO -0.08 0.77 -0.04 0.93 -1.00 0.00 0.00 179.01 179.58 2jpu h GLU 16 N 0.79 0.92 -0.06 2.33 4.39 0.18 -1.72 114.58 121.41 2jpu h GLU 16 Ca 0.17 -0.29 -0.23 0.00 0.34 0.00 0.00 59.36 59.35 2jpu h GLU 16 Cb 0.33 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2jpu h GLU 16 CO 0.00 0.94 -0.89 0.74 -1.16 0.00 0.00 179.01 178.64 2jpu h PHE 17 N 0.84 0.87 -0.10 4.33 0.04 -0.40 -2.52 116.94 120.00 2jpu h PHE 17 Ca 0.15 -0.43 -0.03 0.00 2.80 0.00 0.00 57.97 60.46 2jpu h PHE 17 Cb 0.55 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 2jpu h PHE 17 CO 0.03 1.25 -0.08 1.25 -0.60 0.00 0.00 178.31 180.16 2jpu h LEU 18 N 0.38 0.13 -0.69 1.54 5.85 -0.77 -0.84 115.31 120.92 2jpu h LEU 18 Ca -0.08 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2jpu h LEU 18 Cb 1.52 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.51 2jpu h LEU 18 CO 0.17 0.24 -0.21 -1.54 -0.34 0.00 0.00 178.44 176.77 2jpu n SER 19 N -4.36 1.28 0.02 1.25 3.41 -0.66 -3.64 113.62 110.91 2jpu n SER 19 Ca -0.01 -1.12 -0.08 0.00 -0.26 0.00 0.00 58.87 57.40 2jpu n SER 19 Cb 0.21 0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 64.15 2jpu n SER 19 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2jpu h LYS 20 N 1.68 0.02 0.00 4.33 3.64 -0.71 -3.48 116.57 122.05 2jpu h LYS 20 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jpu h LYS 20 Cb 0.54 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2jpu h LYS 20 CO 0.00 0.74 0.00 0.41 -2.27 0.00 0.00 179.45 178.33 2jpu n GLY 21 N 1.48 1.10 3.41 5.01 0.00 -1.02 -5.10 105.19 110.08 2jpu n GLY 21 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.16 3.71 -0.14 1.61 2.15 -1.12 -5.02 116.67 116.69 2jpu s ASP 22 Ca 0.00 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.68 2jpu s ASP 22 Cb 0.00 -0.80 -0.24 0.00 -0.30 0.00 0.00 42.92 41.58 2jpu s ASP 22 CO 0.00 0.31 0.27 0.18 -0.17 0.00 0.00 175.17 175.76 2jpu n LEU 23 N 2.51 2.24 -0.06 -1.34 4.77 -1.26 -3.92 117.00 119.94 2jpu n LEU 23 Ca -0.17 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 2jpu n LEU 23 Cb 0.52 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 2jpu n LEU 23 CO 0.25 0.77 0.49 0.58 -1.33 0.00 0.00 177.39 178.16 2jpu h VAL 24 N 0.04 1.34 -0.43 4.08 2.07 -1.93 -2.09 116.25 119.32 2jpu h VAL 24 Ca -0.44 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.49 2jpu h VAL 24 Cb 2.02 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.65 2jpu h VAL 24 CO 0.04 0.49 0.25 1.56 0.02 0.00 0.00 177.57 179.93 2jpu h GLN 25 N 0.23 0.59 -0.37 1.57 4.20 -1.96 -1.61 115.11 117.76 2jpu h GLN 25 Ca 0.01 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 2jpu h GLN 25 Cb 0.95 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2jpu h GLN 25 CO 0.08 0.42 -0.20 0.00 -0.67 0.00 0.00 178.83 178.46 2jpu h ALA 26 N 1.68 0.52 -0.44 3.87 0.00 -1.69 -3.12 119.26 120.08 2jpu h ALA 26 Ca 0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2jpu h ALA 26 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2jpu h ALA 26 CO -0.03 0.48 0.21 0.00 0.00 0.00 0.00 179.25 179.91 2jpu h GLU 28 N 0.62 0.77 0.00 0.00 4.22 -1.33 -1.98 114.58 116.88 2jpu h GLU 28 Ca 0.16 -0.10 -0.09 0.00 0.08 0.00 0.00 59.36 59.40 2jpu h GLU 28 Cb 0.08 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2jpu h GLU 28 CO -0.02 0.62 -0.42 0.87 -2.18 0.00 0.00 179.01 177.88 2jpu h LYS 29 N 0.73 0.00 -0.61 1.92 6.56 -1.31 -2.88 116.57 120.98 2jpu h LYS 29 Ca 0.19 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.72 2jpu h LYS 29 Cb 0.09 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.72 2jpu h LYS 29 CO -0.03 0.42 0.13 1.88 -2.06 0.00 0.00 179.45 179.80 2jpu h TYR 30 N 0.00 1.00 -0.21 -1.35 0.05 -0.51 0.12 116.97 116.07 2jpu h TYR 30 Ca -0.00 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 2jpu h TYR 30 Cb 1.21 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 2jpu h TYR 30 CO 0.00 0.83 0.11 -0.92 -1.05 0.00 0.00 178.16 177.14 2jpu h TYR 31 N 0.92 0.29 0.00 4.88 3.20 -1.16 -2.20 116.97 122.90 2jpu h TYR 31 Ca 0.19 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 2jpu h TYR 31 Cb 0.35 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2jpu h TYR 31 CO 0.02 0.27 -0.51 0.87 -1.64 0.00 0.00 178.16 177.18 2jpu h LYS 32 N 0.23 0.00 -0.03 1.82 1.57 -1.34 -0.43 116.57 118.39 2jpu h LYS 32 Ca 0.07 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2jpu h LYS 32 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jpu h LYS 32 CO -0.01 0.51 -0.31 0.00 -0.57 0.00 0.00 179.45 179.06 2jpu h ALA 33 N 1.49 1.43 0.20 3.86 0.00 -0.58 -2.71 119.26 122.95 2jpu h ALA 33 Ca -0.01 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 54.31 2jpu h ALA 33 Cb 0.98 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.73 2jpu h ALA 33 CO 0.07 0.42 -1.35 0.00 0.00 0.00 0.00 179.25 178.39 2jpu h ALA 34 N 1.64 -0.05 -0.87 0.00 0.00 -0.80 -3.26 119.26 115.91 2jpu h ALA 34 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 2jpu h ALA 34 Cb 0.58 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2jpu h ALA 34 CO 0.04 0.68 0.51 1.05 0.00 0.00 0.00 179.25 181.53 2jpu h GLU 35 N -0.05 1.20 -0.66 0.00 4.11 -1.03 -1.67 114.58 116.47 2jpu h GLU 35 Ca -0.25 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.03 2jpu h GLU 35 Cb 1.97 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.95 2jpu h GLU 35 CO 0.20 0.85 0.29 0.93 0.07 0.00 0.00 179.01 181.36 2jpu h GLU 36 N 1.21 0.95 -0.05 1.06 4.39 -1.61 0.21 114.58 120.74 2jpu h GLU 36 Ca 0.31 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2jpu h GLU 36 Cb -0.02 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2jpu h GLU 36 CO -0.06 0.76 0.01 0.00 -1.16 0.00 0.00 179.01 178.56 2jpu h ALA 37 N 1.38 0.06 -0.60 3.43 0.00 -1.37 0.95 119.26 123.11 2jpu h ALA 37 Ca 0.23 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2jpu h ALA 37 Cb 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2jpu h ALA 37 CO -0.03 -0.32 0.38 0.82 0.00 0.00 0.00 179.25 180.10 2jpu h ILE 38 N -0.12 1.10 -0.04 0.00 1.08 -1.11 -0.29 117.51 118.13 2jpu h ILE 38 Ca 0.02 -0.26 0.03 0.00 -0.39 0.00 0.00 64.86 64.26 2jpu h ILE 38 Cb 0.22 0.28 -0.06 0.00 -3.07 0.00 0.00 36.82 34.19 2jpu h ILE 38 CO -0.00 0.14 -0.41 0.50 -0.69 0.00 0.00 178.15 177.68 2jpu h LYS 39 N 0.75 -0.53 -0.44 2.37 3.64 -0.31 0.12 116.57 122.17 2jpu h LYS 39 Ca 0.23 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 2jpu h LYS 39 Cb -0.01 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 2jpu h LYS 39 CO -0.08 -0.35 0.09 -0.07 -2.27 0.00 0.00 179.45 176.77 2jpu h LEU 40 N -0.55 0.02 -2.24 5.20 4.07 -0.52 0.00 115.31 121.30 2jpu h LEU 40 Ca 0.06 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 2jpu h LEU 40 Cb 0.64 0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.48 2jpu h LEU 40 CO -0.34 0.04 -0.05 -0.07 -1.08 0.00 0.00 178.44 176.94 2jpu h LEU 41 N 0.23 0.00 0.10 1.67 3.38 -0.48 -1.02 115.31 119.19 2jpu h LEU 41 Ca 0.22 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.89 2jpu h LEU 41 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2jpu h LEU 41 CO -0.28 0.05 -1.51 0.58 0.09 0.00 0.00 178.44 177.37 2jpu h VAL 42 N 0.00 1.17 0.10 1.22 2.07 0.27 -3.32 116.25 117.75 2jpu h VAL 42 Ca -0.00 -2.83 -0.01 0.00 0.82 0.00 0.00 66.70 64.69 2jpu h VAL 42 Cb 0.22 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2jpu h VAL 42 CO 0.01 0.81 -0.05 0.40 0.02 0.00 0.00 177.57 178.75 2jpu h ILE 43 N 0.06 1.00 0.00 4.57 2.04 0.20 0.23 117.51 125.62 2jpu h ILE 43 Ca -0.23 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.24 2jpu h ILE 43 Cb 2.00 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 2jpu h ILE 43 CO 0.15 0.28 -0.28 1.05 0.00 0.00 0.00 178.15 179.35 2jpu h GLU 44 N -0.86 0.00 0.00 2.37 4.11 -1.53 -3.12 114.58 115.56 2jpu h GLU 44 Ca -0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 2jpu h GLU 44 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2jpu h GLU 44 CO 0.02 0.28 -1.89 -1.71 0.07 0.00 0.00 179.01 175.78 2jpu n ASN 45 N -3.24 0.16 -2.89 3.06 5.15 -1.25 -5.05 115.26 111.21 2jpu n ASN 45 Ca 0.02 0.06 -0.08 0.00 -0.60 0.00 0.00 54.58 53.98 2jpu n ASN 45 Cb 0.58 1.56 0.01 0.00 -0.53 0.00 0.00 39.78 41.39 2jpu n ASN 45 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2jpu n ASN 46 N -2.42 -7.73 -4.55 1.20 5.15 0.79 -4.89 115.26 102.81 2jpu n ASN 46 Ca -0.08 0.71 -0.41 0.00 -0.60 0.00 0.00 54.58 54.20 2jpu n ASN 46 Cb 0.66 -4.93 -0.03 0.00 -0.53 0.00 0.00 39.78 34.95 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 -2.29 3.22 0.14 1.20 1.43 -1.05 -4.90 118.68 116.42 2jpu s LEU 47 Ca 0.19 -0.61 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 2jpu s LEU 47 Cb -0.05 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 2jpu s LEU 47 CO 0.76 -1.79 1.64 0.50 0.23 0.00 0.00 176.35 177.68 2jpu h LYS 48 N 10.05 -0.28 0.00 1.70 3.64 -1.92 0.32 116.57 130.07 2jpu h LYS 48 Ca -0.20 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2jpu h LYS 48 Cb 1.04 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2jpu h LYS 48 CO 1.30 -0.19 -0.10 0.93 -2.27 0.00 0.00 179.45 179.13 2jpu h GLU 49 N -0.29 0.00 0.12 1.90 4.39 -1.99 0.10 114.58 118.81 2jpu h GLU 49 Ca 0.10 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.63 2jpu h GLU 49 Cb 0.45 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2jpu h GLU 49 CO -0.30 0.10 -0.78 0.82 -1.16 0.00 0.00 179.01 177.68 2jpu h ILE 50 N 0.00 1.49 -0.29 3.13 1.08 -1.52 -2.82 117.51 118.58 2jpu h ILE 50 Ca -0.00 -2.49 -0.06 0.00 -0.39 0.00 0.00 64.86 61.91 2jpu h ILE 50 Cb 0.41 3.16 -0.02 0.00 -3.07 0.00 0.00 36.82 37.31 2jpu h ILE 50 CO 0.01 0.70 -0.08 0.71 -0.69 0.00 0.00 178.15 178.79 2jpu h THR 51 N -0.46 1.21 -0.78 -0.27 1.35 -0.10 -1.20 112.91 112.66 2jpu h THR 51 Ca -0.14 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2jpu h THR 51 Cb 1.56 1.08 -0.04 0.00 -1.73 0.00 0.00 68.15 69.03 2jpu h THR 51 CO 0.12 0.30 0.50 0.78 -0.25 0.00 0.00 175.52 176.97 2jpu h ASN 52 N 0.45 0.90 1.13 5.36 2.35 -0.88 -1.93 115.58 122.97 2jpu h ASN 52 Ca 0.09 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2jpu h ASN 52 Cb 0.43 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2jpu h ASN 52 CO 0.02 0.67 -0.18 0.78 -1.65 0.00 0.00 177.43 177.07 2jpu h ASN 53 N 1.06 0.00 0.67 5.81 2.35 -0.98 -2.75 115.58 121.74 2jpu h ASN 53 Ca 0.28 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 2jpu h ASN 53 Cb -0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 2jpu h ASN 53 CO -0.06 0.18 -0.16 0.58 -1.65 0.00 0.00 177.43 176.32 2jpu h VAL 54 N 0.00 0.49 0.00 2.81 2.07 -0.50 -2.47 116.25 118.65 2jpu h VAL 54 Ca -0.00 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2jpu h VAL 54 Cb 0.79 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2jpu h VAL 54 CO 0.02 0.16 0.00 0.29 0.02 0.00 0.00 177.57 178.06 2jpu n LYS 55 N -3.45 0.03 0.20 1.57 4.01 -1.04 -0.14 118.16 119.34 2jpu n LYS 55 Ca -0.01 0.35 -0.08 0.00 -0.51 0.00 0.00 58.31 58.06 2jpu n LYS 55 Cb 0.33 -1.56 -0.04 0.00 -0.51 0.00 0.00 35.03 33.25 2jpu n LYS 55 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2jpu h ASN 56 N 0.00 -0.47 -0.00 4.39 -0.73 -1.62 -3.36 115.58 113.79 2jpu h ASN 56 Ca 0.00 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.19 2jpu h ASN 56 Cb 0.19 0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.90 2jpu h ASN 56 CO 0.00 -0.15 -0.73 0.29 -0.37 0.00 0.00 177.43 176.47 2jpu n LYS 57 N -4.55 0.61 0.00 6.67 4.76 -1.20 -4.98 118.16 119.48 2jpu n LYS 57 Ca -0.07 -0.50 0.00 0.00 -2.87 0.00 0.00 58.31 54.87 2jpu n LYS 57 Cb 0.22 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 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 1.46 1.54 3.79 0.72 0.00 0.80 -4.92 105.19 108.59 2jpu n GLY 58 Ca 0.07 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.77 0.08 1.61 3.52 -1.26 -4.82 118.95 120.85 2jpu s ARG 59 Ca 0.00 -1.17 -0.31 0.00 -0.13 0.00 0.00 55.73 54.12 2jpu s ARG 59 Cb 0.00 -2.47 -0.09 0.00 -1.56 0.00 0.00 34.95 30.83 2jpu s ARG 59 CO 0.00 0.33 1.83 -1.58 -0.81 0.00 0.00 175.30 175.07 2jpu s TRP 60 N -2.21 1.97 -0.63 5.12 0.52 -1.26 -4.94 118.94 117.51 2jpu s TRP 60 Ca 0.34 -0.06 0.04 0.00 0.02 0.00 0.00 56.10 56.43 2jpu s TRP 60 Cb -0.07 -4.15 0.15 0.00 -1.15 0.00 0.00 33.47 28.26 2jpu s TRP 60 CO 0.24 -4.82 0.40 0.21 0.02 0.00 0.00 176.95 173.00 2jpu s LYS 61 N 3.21 2.30 0.10 4.98 2.20 -1.26 -5.03 119.74 126.24 2jpu s LYS 61 Ca 0.81 -2.97 0.00 0.00 -0.36 0.00 0.00 55.97 53.45 2jpu s LYS 61 Cb -0.44 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2jpu s LYS 61 CO 0.37 -1.20 0.00 0.43 -0.36 0.00 0.00 175.35 174.59 2jpu n SER 62 N 2.60 0.00 -0.06 1.43 7.64 -1.26 -1.75 113.62 122.21 2jpu n SER 62 Ca 0.12 0.00 0.23 0.00 1.01 0.00 0.00 58.87 60.23 2jpu n SER 62 Cb 0.34 0.00 0.69 0.00 -1.01 0.00 0.00 64.21 64.23 2jpu n SER 62 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2jpu h GLU 63 N 0.00 0.02 -0.55 1.43 4.11 -2.02 -0.04 114.58 117.53 2jpu h GLU 63 Ca 0.00 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.43 2jpu h GLU 63 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2jpu h GLU 63 CO 0.00 0.01 0.36 -0.97 0.07 0.00 0.00 179.01 178.49 2jpu h ASN 64 N 0.02 0.63 -0.23 3.06 -0.73 -1.76 -1.69 115.58 114.88 2jpu h ASN 64 Ca 0.31 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.43 2jpu h ASN 64 Cb 1.22 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.64 2jpu h ASN 64 CO -0.01 0.45 0.03 -0.07 -0.37 0.00 0.00 177.43 177.47 2jpu h LEU 65 N 0.74 0.45 -0.26 0.34 3.38 -1.24 0.74 115.31 119.45 2jpu h LEU 65 Ca 0.20 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 2jpu h LEU 65 Cb -0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2jpu h LEU 65 CO -0.04 0.49 -0.55 0.15 0.09 0.00 0.00 178.44 178.58 2jpu h PHE 66 N 0.47 1.05 -0.40 1.13 3.57 -1.42 -1.75 116.94 119.59 2jpu h PHE 66 Ca 0.11 -0.39 -0.06 0.00 3.53 0.00 0.00 57.97 61.16 2jpu h PHE 66 Cb 0.26 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2jpu h PHE 66 CO 0.01 1.21 0.03 -0.22 -2.23 0.00 0.00 178.31 177.10 2jpu h LYS 67 N 0.59 0.69 -0.41 1.11 3.11 -1.13 -1.22 116.57 119.32 2jpu h LYS 67 Ca 0.00 -0.21 0.06 0.00 -2.81 0.00 0.00 60.65 57.70 2jpu h LYS 67 Cb 1.16 -0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 32.27 2jpu h LYS 67 CO 0.12 0.76 0.09 0.00 -2.81 0.00 0.00 179.45 177.62 2jpu h ALA 68 N 0.90 0.45 -0.22 5.00 0.00 -0.81 -1.40 119.26 123.18 2jpu h ALA 68 Ca 0.12 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2jpu h ALA 68 Cb 0.43 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jpu h ALA 68 CO 0.02 -0.31 -0.12 0.77 0.00 0.00 0.00 179.25 179.61 2jpu h SER 69 N 0.23 0.34 -0.59 0.00 0.02 -1.11 0.11 113.55 112.55 2jpu h SER 69 Ca 0.19 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2jpu h SER 69 Cb 0.23 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2jpu h SER 69 CO -0.25 0.50 0.32 0.50 -1.14 0.00 0.00 176.83 176.76 2jpu h LYS 70 N 0.34 0.82 -0.08 3.45 3.11 -0.35 -2.66 116.57 121.20 2jpu h LYS 70 Ca 0.07 -0.10 -0.18 0.00 -2.81 0.00 0.00 60.65 57.63 2jpu h LYS 70 Cb 0.42 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 2jpu h LYS 70 CO 0.02 0.63 -0.71 -0.07 -2.81 0.00 0.00 179.45 176.51 2jpu h LEU 71 N 0.79 0.43 -0.09 5.20 3.38 -0.68 -3.13 115.31 121.21 2jpu h LEU 71 Ca 0.21 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2jpu h LEU 71 Cb 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jpu h LEU 71 CO -0.03 1.00 0.00 0.18 0.09 0.00 0.00 178.44 179.68 2jpu n LEU 72 N -3.84 0.05 0.23 1.67 4.77 0.33 -1.65 117.00 118.56 2jpu n LEU 72 Ca -0.04 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.53 2jpu n LEU 72 Cb 0.69 -0.52 0.53 0.00 -2.33 0.00 0.00 43.42 41.79 2jpu n LEU 72 CO 0.47 -0.42 0.88 -0.09 -1.33 0.00 0.00 177.39 176.90 2jpu h ARG 73 N 0.00 0.00 0.00 3.23 2.43 -1.45 -0.18 114.38 118.41 2jpu h ARG 73 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jpu h ARG 73 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2jpu h ARG 73 CO 0.00 0.21 0.00 0.43 -1.51 0.00 0.00 179.97 179.10 2jpu n SER 74 N -4.08 0.00 -0.13 -3.80 7.64 -0.66 -2.96 113.62 109.64 2jpu n SER 74 Ca -0.02 -0.01 -0.26 0.00 1.01 0.00 0.00 58.87 59.58 2jpu n SER 74 Cb 0.28 -0.31 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 2jpu n SER 74 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jpu n ASN 75 N -1.31 1.95 -3.67 6.43 5.15 -0.21 -4.98 115.26 118.62 2jpu n ASN 75 Ca 0.11 0.27 -0.09 0.00 -0.60 0.00 0.00 54.58 54.27 2jpu n ASN 75 Cb 0.20 -0.78 -0.09 0.00 -0.53 0.00 0.00 39.78 38.58 2jpu n ASN 75 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2jpu s ASN 76 N -7.22 -0.55 0.52 1.20 3.84 -0.40 -5.05 114.94 107.28 2jpu s ASN 76 Ca -0.36 1.07 0.33 0.00 0.21 0.00 0.00 52.86 54.11 2jpu s ASN 76 Cb 0.12 1.15 1.46 0.00 -0.55 0.00 0.00 41.25 43.43 2jpu s ASN 76 CO 0.54 -0.21 1.99 0.00 -2.79 0.00 0.00 177.10 176.63 2jpu h THR 77 N 5.69 0.00 0.00 -5.21 1.03 -1.79 -2.73 112.91 109.89 2jpu h THR 77 Ca -0.28 -0.38 -0.02 0.00 -0.01 0.00 0.00 66.41 65.72 2jpu h THR 77 Cb 1.16 1.33 -0.00 0.00 -1.07 0.00 0.00 68.15 69.57 2jpu h THR 77 CO 0.21 0.00 -0.49 -0.33 -0.01 0.00 0.00 175.52 174.90 2jpu h GLU 78 N 0.00 0.00 0.17 0.00 5.08 -1.93 -3.36 114.58 114.54 2jpu h GLU 78 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2jpu h GLU 78 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2jpu h GLU 78 CO 0.00 0.07 -0.25 0.82 -1.00 0.00 0.00 179.01 178.65 2jpu h ILE 79 N 0.00 0.46 0.00 3.13 2.04 -1.81 -0.34 117.51 120.99 2jpu h ILE 79 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2jpu h ILE 79 Cb 1.07 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2jpu h ILE 79 CO 0.01 0.00 -0.10 1.55 0.00 0.00 0.00 178.15 179.61 2jpu h PRO 80 N -0.48 0.00 -0.18 2.37 0.13 -1.73 -0.58 132.00 131.53 2jpu h PRO 80 Ca 0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.08 2jpu h PRO 80 Cb 0.48 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 2jpu h PRO 80 CO -0.11 0.10 -0.13 0.82 -0.23 0.00 0.00 178.00 178.46 2jpu h ILE 81 N 0.00 1.32 -0.33 -3.56 2.04 -1.50 -0.56 117.51 114.92 2jpu h ILE 81 Ca -0.00 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 2jpu h ILE 81 Cb 0.27 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2jpu h ILE 81 CO 0.01 0.37 0.01 -0.07 0.00 0.00 0.00 178.15 178.47 2jpu h LEU 82 N 0.06 0.56 -1.07 1.44 3.38 -0.56 -2.79 115.31 116.34 2jpu h LEU 82 Ca 0.03 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2jpu h LEU 82 Cb 0.64 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2jpu h LEU 82 CO 0.03 0.73 0.63 -0.25 0.09 0.00 0.00 178.44 179.67 2jpu h TRP 83 N 0.38 1.18 -0.83 1.13 2.91 -1.13 -2.06 115.95 117.54 2jpu h TRP 83 Ca 0.09 0.03 0.12 0.00 1.13 0.00 0.00 58.89 60.27 2jpu h TRP 83 Cb 0.43 -0.40 -0.08 0.00 -0.51 0.00 0.00 29.16 28.60 2jpu h TRP 83 CO 0.03 0.73 0.44 -0.22 -1.03 0.00 0.00 178.44 178.39 2jpu h LYS 84 N 1.26 0.66 -0.20 2.65 3.64 -0.82 0.38 116.57 124.14 2jpu h LYS 84 Ca 0.35 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 2jpu h LYS 84 Cb -0.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 2jpu h LYS 84 CO -0.08 0.43 0.09 0.77 -2.27 0.00 0.00 179.45 178.39 2jpu h SER 85 N 0.68 0.26 -0.43 4.20 0.02 -1.23 0.22 113.55 117.28 2jpu h SER 85 Ca 0.43 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 61.15 2jpu h SER 85 Cb 0.52 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2jpu h SER 85 CO -0.31 0.32 -0.10 0.00 -1.14 0.00 0.00 176.83 175.60 2jpu h ALA 86 N 0.95 0.91 -0.76 3.77 0.00 -1.17 -2.03 119.26 120.94 2jpu h ALA 86 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2jpu h ALA 86 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2jpu h ALA 86 CO -0.01 0.63 0.50 2.35 0.00 0.00 0.00 179.25 182.72 2jpu h TRP 87 N 0.80 0.97 -0.83 0.00 2.91 0.01 -2.54 115.95 117.27 2jpu h TRP 87 Ca 0.13 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 2jpu h TRP 87 Cb 0.61 -0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 28.90 2jpu h TRP 87 CO 0.04 0.62 0.46 1.15 -1.03 0.00 0.00 178.44 179.68 2jpu h THR 88 N 1.03 1.24 -0.89 2.65 2.02 -0.12 0.13 112.91 118.97 2jpu h THR 88 Ca 0.28 -0.58 0.08 0.00 0.77 0.00 0.00 66.41 66.95 2jpu h THR 88 Cb -0.11 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 66.36 2jpu h THR 88 CO -0.06 0.26 0.55 -0.07 0.37 0.00 0.00 175.52 176.58 2jpu h LEU 89 N 1.15 0.85 0.00 2.58 3.38 -0.95 0.05 115.31 122.36 2jpu h LEU 89 Ca 0.29 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.15 2jpu h LEU 89 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2jpu h LEU 89 CO -0.05 0.52 -0.73 -0.74 0.09 0.00 0.00 178.44 177.53 2jpu h HIS 90 N 0.97 0.00 0.18 1.13 2.76 -1.32 -3.14 115.15 115.73 2jpu h HIS 90 Ca 0.40 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.56 2jpu h HIS 90 Cb 0.25 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.21 2jpu h HIS 90 CO -0.03 1.28 -0.09 0.28 -1.30 0.00 0.00 177.93 178.07 2jpu h VAL 91 N -1.00 0.55 0.00 5.26 2.07 -0.73 -3.09 116.25 119.31 2jpu h VAL 91 Ca -0.20 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 2jpu h VAL 91 Cb 1.17 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2jpu h VAL 91 CO -0.12 0.16 -0.17 -0.33 0.02 0.00 0.00 177.57 177.12 2jpu h GLU 92 N -0.97 0.00 0.00 1.57 4.39 -1.17 -3.41 114.58 114.99 2jpu h GLU 92 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2jpu h GLU 92 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2jpu h GLU 92 CO 0.04 0.17 0.00 0.41 -1.16 0.00 0.00 179.01 178.47 2jpu n GLY 93 N 0.36 0.84 5.00 -3.84 0.00 -0.79 -4.74 105.19 102.02 2jpu n GLY 93 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2jpu n GLY 93 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jpu n PHE 94 N 0.00 0.00 -1.90 1.61 7.35 -1.17 -4.61 117.46 118.74 2jpu n PHE 94 Ca 0.00 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 2jpu n PHE 94 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 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 0.00 2.40 -2.09 -5.13 -0.00 -1.26 -4.66 115.22 104.49 2jpu n HIS 95 Ca 0.00 -2.65 -0.15 0.00 0.46 0.00 0.00 57.72 55.38 2jpu n HIS 95 Cb 0.00 -1.74 -0.02 0.00 -0.12 0.00 0.00 29.99 28.11 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 1.54 -1.14 -2.68 1.57 1.02 -1.26 -4.94 120.64 114.76 2jpu n GLU 96 Ca 0.60 0.78 -0.42 0.00 -0.02 0.00 0.00 57.16 58.10 2jpu n GLU 96 Cb 0.30 -5.05 -0.03 0.00 -0.02 0.00 0.00 31.44 26.64 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 -4.01 3.74 0.22 -4.62 2.01 -1.26 -4.81 118.68 109.94 2jpu s LEU 97 Ca 0.00 -0.88 0.24 0.00 0.01 0.00 0.00 54.13 53.50 2jpu s LEU 97 Cb 0.00 -2.50 0.46 0.00 0.01 0.00 0.00 46.19 44.15 2jpu s LEU 97 CO 0.00 -1.61 1.50 0.28 1.01 0.00 0.00 176.35 177.53 2jpu h SER 98 N 9.76 0.00 -0.48 2.29 0.02 -1.99 -3.44 113.55 119.71 2jpu h SER 98 Ca -0.18 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2jpu h SER 98 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2jpu h SER 98 CO 1.26 0.04 0.00 0.18 -1.14 0.00 0.00 176.83 177.16 2jpu n LEU 99 N -2.43 0.00 -4.49 5.07 4.77 -1.26 -4.66 117.00 114.00 2jpu n LEU 99 Ca 0.04 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.78 2jpu n LEU 99 Cb 0.47 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 2jpu n LEU 99 CO 0.34 -0.75 -0.22 0.20 -1.33 0.00 0.00 177.39 175.63 2jpu s ASN 100 N -4.00 2.62 0.23 -1.43 0.01 -1.26 -5.04 114.94 106.07 2jpu s ASN 100 Ca 0.00 -1.56 -0.07 0.00 -0.71 0.00 0.00 52.86 50.52 2jpu s ASN 100 Cb 0.00 0.30 0.29 0.00 0.41 0.00 0.00 41.25 42.25 2jpu s ASN 100 CO 0.00 -0.82 1.83 -0.08 -1.51 0.00 0.00 177.10 176.53 2jpu h GLU 101 N 1.91 0.81 -0.76 -0.60 4.57 -1.99 -2.28 114.58 116.24 2jpu h GLU 101 Ca -0.38 -0.05 0.14 0.00 -1.18 0.00 0.00 59.36 57.89 2jpu h GLU 101 Cb 1.26 -0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.58 2jpu h GLU 101 CO 0.62 0.54 0.31 -0.22 -1.18 0.00 0.00 179.01 179.08 2jpu h LYS 102 N 0.84 0.45 -0.08 1.92 3.11 -2.00 0.51 116.57 121.32 2jpu h LYS 102 Ca 0.34 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 58.11 2jpu h LYS 102 Cb 0.18 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2jpu h LYS 102 CO -0.18 0.30 -0.10 0.93 -2.81 0.00 0.00 179.45 177.59 2jpu h GLU 103 N 0.47 0.21 -0.67 1.90 3.07 -1.84 -3.25 114.58 114.47 2jpu h GLU 103 Ca 0.41 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 2jpu h GLU 103 Cb 0.61 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 2jpu h GLU 103 CO -0.39 0.67 0.32 0.28 -1.40 0.00 0.00 179.01 178.49 2jpu h VAL 104 N -0.23 1.22 -0.75 3.13 2.07 -0.89 -1.18 116.25 119.61 2jpu h VAL 104 Ca 0.01 -0.61 0.12 0.00 0.82 0.00 0.00 66.70 67.03 2jpu h VAL 104 Cb 0.64 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2jpu h VAL 104 CO 0.02 0.26 0.50 0.11 0.02 0.00 0.00 177.57 178.48 2jpu h LYS 105 N 0.95 0.56 0.05 1.57 1.79 -0.96 -0.13 116.57 120.40 2jpu h LYS 105 Ca 0.23 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2jpu h LYS 105 Cb 0.10 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2jpu h LYS 105 CO -0.03 0.37 -0.03 -0.22 -1.08 0.00 0.00 179.45 178.46 2jpu h LYS 106 N 0.57 -0.07 -0.80 3.15 3.64 -1.33 -3.35 116.57 118.38 2jpu h LYS 106 Ca 0.36 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.85 2jpu h LYS 106 Cb 0.61 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 2jpu h LYS 106 CO -0.13 0.55 0.42 -0.07 -2.27 0.00 0.00 179.45 177.95 2jpu h LEU 107 N -0.86 0.56 -1.06 5.20 -0.00 -0.47 0.43 115.31 119.10 2jpu h LEU 107 Ca -0.01 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 2jpu h LEU 107 Cb 0.65 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.24 2jpu h LEU 107 CO 0.01 0.29 0.50 0.07 -0.00 0.00 0.00 178.44 179.31 2jpu h LYS 108 N 0.68 1.14 0.14 1.13 5.09 -1.22 0.81 116.57 124.35 2jpu h LYS 108 Ca 0.40 -0.11 -0.31 0.00 0.09 0.00 0.00 60.65 60.73 2jpu h LYS 108 Cb 0.46 -0.24 0.00 0.00 0.10 0.00 0.00 32.23 32.55 2jpu h LYS 108 CO -0.29 0.81 -1.51 1.49 -2.09 0.00 0.00 179.45 177.86 2jpu h GLU 109 N 1.16 0.30 -0.28 0.07 4.81 -1.40 -2.77 114.58 116.48 2jpu h GLU 109 Ca 0.30 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2jpu h GLU 109 Cb -0.03 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2jpu h GLU 109 CO -0.05 1.19 0.08 0.22 -0.73 0.00 0.00 179.01 179.71 2jpu h ASP 110 N 0.08 0.41 0.38 1.04 3.58 0.14 -0.94 116.42 121.11 2jpu h ASP 110 Ca -0.24 -0.22 -0.13 0.00 0.42 0.00 0.00 57.03 56.86 2jpu h ASP 110 Cb 2.04 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.96 2jpu h ASP 110 CO 0.18 0.52 -0.56 0.58 -2.88 0.00 0.00 179.24 177.08 2jpu h VAL 111 N 0.28 1.38 -0.36 2.25 2.07 -0.98 -2.86 116.25 118.03 2jpu h VAL 111 Ca 0.09 -1.89 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 2jpu h VAL 111 Cb 0.26 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2jpu h VAL 111 CO -0.00 0.55 0.04 -0.09 0.02 0.00 0.00 177.57 178.09 2jpu h ARG 112 N 0.15 0.54 -0.54 1.57 2.43 -1.15 0.49 114.38 117.86 2jpu h ARG 112 Ca -0.00 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2jpu h ARG 112 Cb 1.03 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.43 2jpu h ARG 112 CO 0.08 0.53 0.18 0.87 -1.51 0.00 0.00 179.97 180.13 2jpu h LYS 113 N 0.52 0.34 -0.27 0.20 1.79 -0.94 0.13 116.57 118.34 2jpu h LYS 113 Ca 0.12 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.46 2jpu h LYS 113 Cb 0.28 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2jpu h LYS 113 CO 0.00 0.23 -0.27 -0.07 -1.08 0.00 0.00 179.45 178.26 2jpu h LEU 114 N 0.35 0.54 -0.57 2.94 3.38 -1.18 -2.48 115.31 118.30 2jpu h LEU 114 Ca 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2jpu h LEU 114 Cb 0.32 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2jpu h LEU 114 CO -0.29 0.79 0.24 0.58 0.09 0.00 0.00 178.44 179.85 2jpu h VAL 115 N 0.46 1.22 -0.55 1.22 2.07 -0.04 -0.61 116.25 120.03 2jpu h VAL 115 Ca 0.06 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.97 2jpu h VAL 115 Cb 0.71 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2jpu h VAL 115 CO 0.05 0.26 0.36 0.40 0.02 0.00 0.00 177.57 178.67 2jpu h ILE 116 N 0.78 1.03 -0.33 4.57 2.04 -0.51 0.15 117.51 125.24 2jpu h ILE 116 Ca 0.19 -0.20 -0.16 0.00 1.00 0.00 0.00 64.86 65.70 2jpu h ILE 116 Cb 0.18 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2jpu h ILE 116 CO -0.02 0.11 -0.42 -0.26 0.00 0.00 0.00 178.15 177.56 2jpu h PHE 117 N 0.58 0.98 -0.16 1.37 0.04 -0.89 -0.53 116.94 118.34 2jpu h PHE 117 Ca 0.23 -0.30 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 2jpu h PHE 117 Cb 0.18 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 2jpu h PHE 117 CO -0.00 1.09 -0.09 0.00 -0.60 0.00 0.00 178.31 178.71 2jpu h ALA 118 N 0.86 0.22 -0.09 2.45 0.00 -0.02 -2.96 119.26 119.72 2jpu h ALA 118 Ca 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2jpu h ALA 118 Cb 0.99 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2jpu h ALA 118 CO 0.09 0.05 -0.13 0.28 0.00 0.00 0.00 179.25 179.55 2jpu h VAL 119 N 0.00 1.14 0.00 0.00 2.07 -0.72 -1.03 116.25 117.71 2jpu h VAL 119 Ca 0.03 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2jpu h VAL 119 Cb 0.58 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2jpu h VAL 119 CO 0.03 0.19 0.00 -1.13 0.02 0.00 0.00 177.57 176.68 2jpu h ASN 120 N 0.13 0.00 1.46 0.57 -0.73 -0.92 0.16 115.58 116.24 2jpu h ASN 120 Ca 0.03 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.10 2jpu h ASN 120 Cb 0.31 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 2jpu h ASN 120 CO 0.02 0.00 -0.44 -1.28 -0.37 0.00 0.00 177.43 175.36 2jpu h SER 121 N 0.00 0.00 0.12 1.15 0.87 -1.15 -2.19 113.55 112.35 2jpu h SER 121 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 2jpu h SER 121 Cb 0.15 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2jpu h SER 121 CO 0.00 0.44 -0.76 -0.07 -0.53 0.00 0.00 176.83 175.92 2jpu h LEU 122 N 0.00 0.39 -3.96 2.23 -0.00 -0.82 -3.25 115.31 109.90 2jpu h LEU 122 Ca -0.00 -0.95 -0.37 0.00 -0.00 0.00 0.00 57.88 56.56 2jpu h LEU 122 Cb 1.29 -0.13 -0.14 0.00 -0.00 0.00 0.00 40.66 41.68 2jpu h LEU 122 CO 0.06 1.36 0.29 -0.62 -0.00 0.00 0.00 178.44 179.53 2jpu n GLU 123 N -4.18 2.04 -0.48 1.13 1.02 -0.45 -4.71 120.64 115.01 2jpu n GLU 123 Ca -0.14 -1.75 0.00 0.00 -0.02 0.00 0.00 57.16 55.24 2jpu n GLU 123 Cb 0.78 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.88 0.00 -0.91 -0.32 -0.00 -0.83 -4.55 115.22 109.49 2jpu n HIS 124 Ca 0.38 -0.98 -0.13 0.00 0.46 0.00 0.00 57.72 57.45 2jpu n HIS 124 Cb 0.60 -0.49 -0.04 0.00 -0.12 0.00 0.00 29.99 29.94 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 1.47 0.74 -2.81 1.57 -0.00 -1.26 -4.76 115.22 110.16 2jpu n HIS 125 Ca 0.00 -1.57 -0.00 0.00 -0.00 0.00 0.00 57.72 56.15 2jpu n HIS 125 Cb 0.50 -1.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.44 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 1.28 -3.28 -3.05 1.57 -0.00 -1.26 -4.95 115.22 105.52 2jpu n HIS 126 Ca 0.28 1.45 -0.40 0.00 -0.00 0.00 0.00 57.72 59.05 2jpu n HIS 126 Cb 0.63 -3.47 -0.05 0.00 -0.00 0.00 0.00 29.99 27.10 2jpu n HIS 126 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jpu s HIS 127 N -1.53 3.57 0.25 1.57 -0.00 -1.26 -4.94 115.29 112.95 2jpu s HIS 127 Ca 0.00 1.24 0.08 0.00 -0.00 0.00 0.00 55.06 56.38 2jpu s HIS 127 Cb -0.00 -2.80 0.27 0.00 -0.00 0.00 0.00 32.58 30.04 2jpu s HIS 127 CO 0.64 0.08 1.56 1.12 -0.00 0.00 0.00 174.74 178.15 2jpu h HIS 128 N 6.77 0.09 0.00 0.38 2.07 -2.01 -3.54 115.15 118.91 2jpu h HIS 128 Ca -0.41 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2jpu h HIS 128 Cb 1.20 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.16 2jpu h HIS 128 CO 0.65 0.71 0.00 1.58 -3.07 0.00 0.00 177.93 177.79