#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 0.85 -2.67 7.83 7.64 -1.26 -5.11 113.62 120.90 2jpu n SER 2 Ca 0.00 0.08 -0.14 0.00 1.01 0.00 0.00 58.87 59.82 2jpu n SER 2 Cb 0.00 -0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 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 -3.28 0.00 -2.60 0.44 -5.35 -1.26 -4.95 119.36 102.37 2jpu n ILE 3 Ca -0.15 -1.47 -0.07 0.00 -0.27 0.00 0.00 62.75 60.78 2jpu n ILE 3 Cb 0.61 0.63 0.04 0.00 -1.74 0.00 0.00 39.64 39.18 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 -1.95 -2.26 -4.75 7.28 7.64 -1.26 -5.04 113.62 113.28 2jpu n SER 4 Ca 0.00 -0.28 -0.29 0.00 1.01 0.00 0.00 58.87 59.32 2jpu n SER 4 Cb 0.37 -2.57 0.15 0.00 -1.01 0.00 0.00 64.21 61.15 2jpu n SER 4 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jpu s THR 5 N -3.16 2.00 0.31 0.44 -4.23 -1.26 -4.79 115.64 104.94 2jpu s THR 5 Ca 0.02 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2jpu s THR 5 Cb -0.00 -2.69 0.29 0.00 1.34 0.00 0.00 72.50 71.44 2jpu s THR 5 CO 0.33 0.00 1.88 -1.28 -0.54 0.00 0.00 174.62 175.01 2jpu h SER 6 N -1.61 0.87 -0.43 3.99 0.87 -1.96 -0.99 113.55 114.29 2jpu h SER 6 Ca -0.52 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.04 2jpu h SER 6 Cb 1.33 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 2jpu h SER 6 CO 0.61 0.51 0.17 0.00 -0.53 0.00 0.00 176.83 177.59 2jpu h ALA 7 N 1.53 0.55 -0.83 6.23 0.00 -1.89 -2.23 119.26 122.63 2jpu h ALA 7 Ca 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2jpu h ALA 7 Cb 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2jpu h ALA 7 CO -0.19 0.15 0.52 0.93 0.00 0.00 0.00 179.25 180.66 2jpu h GLU 8 N 0.54 1.11 -0.18 0.00 5.08 -1.64 0.41 114.58 119.91 2jpu h GLU 8 Ca 0.14 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2jpu h GLU 8 Cb 0.18 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2jpu h GLU 8 CO -0.01 0.76 0.03 0.28 -1.00 0.00 0.00 179.01 179.07 2jpu h VAL 9 N 1.13 0.92 -0.06 3.13 2.07 -0.86 -0.07 116.25 122.51 2jpu h VAL 9 Ca 0.30 -0.04 -0.16 0.00 0.82 0.00 0.00 66.70 67.62 2jpu h VAL 9 Cb -0.08 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2jpu h VAL 9 CO -0.06 0.02 -0.67 1.88 0.02 0.00 0.00 177.57 178.76 2jpu h TYR 10 N 0.10 0.34 -0.59 1.57 0.05 -1.22 -3.00 116.97 114.22 2jpu h TYR 10 Ca 0.08 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 2jpu h TYR 10 Cb 0.07 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 2jpu h TYR 10 CO -0.14 0.85 0.22 -0.92 -1.05 0.00 0.00 178.16 177.12 2jpu h TYR 11 N 0.18 0.92 -0.49 4.88 3.20 -0.53 -0.84 116.97 124.28 2jpu h TYR 11 Ca -0.02 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 2jpu h TYR 11 Cb 1.20 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2jpu h TYR 11 CO 0.03 0.74 0.26 1.49 -1.64 0.00 0.00 178.16 179.04 2jpu h GLU 12 N 0.83 0.69 -0.77 1.82 4.57 -0.96 0.93 114.58 121.68 2jpu h GLU 12 Ca 0.20 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2jpu h GLU 12 Cb 0.23 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 2jpu h GLU 12 CO -0.01 0.55 0.42 0.93 -1.18 0.00 0.00 179.01 179.71 2jpu h GLU 13 N 0.65 1.08 -0.63 1.92 4.39 -1.38 -0.34 114.58 120.28 2jpu h GLU 13 Ca 0.17 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2jpu h GLU 13 Cb 0.06 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 2jpu h GLU 13 CO -0.03 0.81 0.34 0.00 -1.16 0.00 0.00 179.01 178.97 2jpu h ALA 14 N 1.22 0.81 -0.95 3.43 0.00 -0.52 0.21 119.26 123.45 2jpu h ALA 14 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2jpu h ALA 14 Cb 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2jpu h ALA 14 CO -0.04 0.33 0.57 0.93 0.00 0.00 0.00 179.25 181.04 2jpu h GLU 15 N 0.86 1.29 -0.41 0.00 4.39 -0.44 0.22 114.58 120.48 2jpu h GLU 15 Ca 0.22 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 2jpu h GLU 15 Cb 0.06 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2jpu h GLU 15 CO -0.03 0.90 -0.09 0.93 -1.16 0.00 0.00 179.01 179.56 2jpu h GLU 16 N 1.31 0.79 -0.11 2.33 4.39 -0.41 -2.08 114.58 120.81 2jpu h GLU 16 Ca 0.34 -0.30 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 2jpu h GLU 16 Cb -0.06 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2jpu h GLU 16 CO -0.06 0.91 -0.61 0.74 -1.16 0.00 0.00 179.01 178.83 2jpu h PHE 17 N 0.61 0.49 -0.23 4.33 0.04 -0.29 -2.78 116.94 119.11 2jpu h PHE 17 Ca 0.11 -0.19 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 2jpu h PHE 17 Cb 0.61 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 2jpu h PHE 17 CO 0.05 0.89 -0.11 1.25 -0.60 0.00 0.00 178.31 179.78 2jpu h LEU 18 N 0.28 0.35 -1.56 1.54 5.85 -0.49 -1.07 115.31 120.20 2jpu h LEU 18 Ca -0.01 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2jpu h LEU 18 Cb 1.14 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2jpu h LEU 18 CO 0.10 0.50 0.00 0.28 -0.34 0.00 0.00 178.44 178.98 2jpu h SER 19 N 0.35 0.00 0.22 1.25 0.02 -1.10 -0.96 113.55 113.32 2jpu h SER 19 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2jpu h SER 19 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2jpu h SER 19 CO 0.02 0.00 -0.04 1.17 -1.14 0.00 0.00 176.83 176.84 2jpu n LYS 20 N -2.93 0.89 -1.17 3.45 4.81 -0.43 -4.87 118.16 117.90 2jpu n LYS 20 Ca 0.00 -0.23 -0.04 0.00 -0.87 0.00 0.00 58.31 57.17 2jpu n LYS 20 Cb 0.25 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.79 2jpu n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jpu n GLY 21 N 1.17 0.68 3.30 3.14 0.00 -0.37 -5.00 105.19 108.12 2jpu n GLY 21 Ca 0.18 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.95 5.91 0.42 1.61 -1.08 -1.07 -4.91 116.67 114.61 2jpu s ASP 22 Ca 0.00 -1.59 0.23 0.00 -0.52 0.00 0.00 52.55 50.67 2jpu s ASP 22 Cb 0.00 -2.10 0.58 0.00 -1.46 0.00 0.00 42.92 39.95 2jpu s ASP 22 CO 0.00 -0.67 1.68 -0.07 0.52 0.00 0.00 175.17 176.64 2jpu h LEU 23 N 8.62 0.00 0.12 -1.34 3.38 -1.91 -2.98 115.31 121.19 2jpu h LEU 23 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2jpu h LEU 23 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2jpu h LEU 23 CO 0.87 0.19 -0.06 0.58 0.09 0.00 0.00 178.44 180.11 2jpu h VAL 24 N 0.00 0.56 0.00 1.22 2.07 -1.91 -2.95 116.25 115.24 2jpu h VAL 24 Ca -0.00 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 2jpu h VAL 24 Cb 0.96 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2jpu h VAL 24 CO 0.02 0.17 -0.34 1.56 0.02 0.00 0.00 177.57 179.00 2jpu h GLN 25 N -0.98 0.00 -0.36 1.57 4.20 -1.94 -2.36 115.11 115.23 2jpu h GLN 25 Ca -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2jpu h GLN 25 Cb 0.40 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2jpu h GLN 25 CO 0.03 0.34 0.19 0.00 -0.67 0.00 0.00 178.83 178.72 2jpu h ALA 26 N 1.66 0.47 0.00 3.87 0.00 -1.62 -2.53 119.26 121.10 2jpu h ALA 26 Ca -0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2jpu h ALA 26 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jpu h ALA 26 CO 0.04 0.01 -0.28 0.00 0.00 0.00 0.00 179.25 179.03 2jpu h GLU 28 N 0.00 0.14 -0.04 0.00 4.22 -1.11 0.91 114.58 118.70 2jpu h GLU 28 Ca -0.00 -0.03 -0.20 0.00 0.08 0.00 0.00 59.36 59.21 2jpu h GLU 28 Cb 0.59 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2jpu h GLU 28 CO 0.04 0.31 -0.81 0.87 -2.18 0.00 0.00 179.01 177.24 2jpu h LYS 29 N -0.05 0.37 -0.74 1.92 1.79 -1.14 -2.75 116.57 115.97 2jpu h LYS 29 Ca 0.03 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2jpu h LYS 29 Cb 0.23 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 2jpu h LYS 29 CO -0.00 1.00 0.47 1.88 -1.08 0.00 0.00 179.45 181.72 2jpu h TYR 30 N 0.24 0.96 -0.00 -1.35 0.05 -0.50 0.90 116.97 117.26 2jpu h TYR 30 Ca -0.05 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 2jpu h TYR 30 Cb 1.41 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 2jpu h TYR 30 CO 0.05 0.62 0.00 -0.92 -1.05 0.00 0.00 178.16 176.86 2jpu h TYR 31 N 1.02 0.00 -0.27 4.88 3.20 -0.61 -0.42 116.97 124.77 2jpu h TYR 31 Ca 0.27 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.04 2jpu h TYR 31 Cb -0.07 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2jpu h TYR 31 CO 0.00 0.08 -0.25 0.87 -1.64 0.00 0.00 178.16 177.23 2jpu h LYS 32 N -0.08 0.53 -0.75 1.82 1.79 -1.20 0.32 116.57 118.99 2jpu h LYS 32 Ca 0.00 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2jpu h LYS 32 Cb 0.08 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 2jpu h LYS 32 CO -0.00 0.73 0.40 0.00 -1.08 0.00 0.00 179.45 179.50 2jpu h ALA 33 N 1.27 0.96 -0.15 3.86 0.00 -0.65 0.17 119.26 124.72 2jpu h ALA 33 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2jpu h ALA 33 Cb 0.68 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jpu h ALA 33 CO 0.05 0.49 -0.34 0.00 0.00 0.00 0.00 179.25 179.45 2jpu h ALA 34 N 1.20 0.24 0.16 0.00 0.00 -0.60 -2.18 119.26 118.08 2jpu h ALA 34 Ca 0.26 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jpu h ALA 34 Cb 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jpu h ALA 34 CO -0.04 0.29 -0.11 1.49 0.00 0.00 0.00 179.25 180.89 2jpu h GLU 35 N 0.11 -0.26 0.00 0.00 4.81 -0.22 -0.13 114.58 118.89 2jpu h GLU 35 Ca -0.00 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2jpu h GLU 35 Cb 0.94 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2jpu h GLU 35 CO 0.07 -0.17 -0.22 0.93 -0.73 0.00 0.00 179.01 178.89 2jpu h GLU 36 N -0.27 0.00 -0.13 1.92 4.39 -1.05 -0.55 114.58 118.90 2jpu h GLU 36 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2jpu h GLU 36 Cb 0.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2jpu h GLU 36 CO 0.01 0.22 -0.02 0.00 -1.16 0.00 0.00 179.01 178.06 2jpu h ALA 37 N 1.78 0.17 -0.33 3.43 0.00 -0.81 0.15 119.26 123.66 2jpu h ALA 37 Ca -0.00 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2jpu h ALA 37 Cb 0.40 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2jpu h ALA 37 CO 0.03 -0.10 0.04 0.82 0.00 0.00 0.00 179.25 180.03 2jpu h ILE 38 N -0.06 0.80 -0.77 0.00 1.08 -0.60 0.13 117.51 118.09 2jpu h ILE 38 Ca 0.03 -0.05 0.13 0.00 -0.39 0.00 0.00 64.86 64.59 2jpu h ILE 38 Cb 0.41 0.64 -0.09 0.00 -3.07 0.00 0.00 36.82 34.72 2jpu h ILE 38 CO 0.01 0.03 0.35 0.50 -0.69 0.00 0.00 178.15 178.35 2jpu h LYS 39 N 0.14 0.52 -0.23 2.37 3.11 -0.95 -0.69 116.57 120.84 2jpu h LYS 39 Ca 0.16 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.88 2jpu h LYS 39 Cb 0.20 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2jpu h LYS 39 CO -0.24 0.34 -0.21 -0.07 -2.81 0.00 0.00 179.45 176.47 2jpu h LEU 40 N 0.53 0.58 -1.09 5.20 3.38 0.34 -2.98 115.31 121.27 2jpu h LEU 40 Ca 0.41 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2jpu h LEU 40 Cb 0.57 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2jpu h LEU 40 CO -0.36 0.93 0.03 -0.07 0.09 0.00 0.00 178.44 179.05 2jpu h LEU 41 N 0.24 0.63 -0.56 1.67 4.07 -0.30 -1.25 115.31 119.81 2jpu h LEU 41 Ca 0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 2jpu h LEU 41 Cb 0.76 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 2jpu h LEU 41 CO 0.05 0.69 0.28 0.58 -1.08 0.00 0.00 178.44 178.96 2jpu h VAL 42 N 0.64 1.20 -0.39 1.22 2.07 -1.12 -0.91 116.25 118.96 2jpu h VAL 42 Ca 0.13 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 2jpu h VAL 42 Cb 0.36 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2jpu h VAL 42 CO 0.01 0.22 0.06 0.40 0.02 0.00 0.00 177.57 178.28 2jpu h ILE 43 N 0.75 1.24 0.07 4.57 1.08 -1.31 -0.73 117.51 123.18 2jpu h ILE 43 Ca 0.19 -0.86 0.01 0.00 -0.39 0.00 0.00 64.86 63.81 2jpu h ILE 43 Cb 0.09 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 2jpu h ILE 43 CO -0.03 0.29 -0.09 -0.08 -0.69 0.00 0.00 178.15 177.55 2jpu h GLU 44 N 0.49 -0.19 0.00 2.37 4.22 -0.95 -1.79 114.58 118.72 2jpu h GLU 44 Ca 0.12 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.57 2jpu h GLU 44 Cb 0.37 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2jpu h GLU 44 CO 0.01 -0.12 0.00 0.09 -2.18 0.00 0.00 179.01 176.80 2jpu n ASN 45 N -5.21 0.00 -3.23 1.04 3.02 -0.37 -4.93 115.26 105.58 2jpu n ASN 45 Ca -0.07 0.10 -0.10 0.00 -0.03 0.00 0.00 54.58 54.48 2jpu n ASN 45 Cb 0.14 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.36 -6.98 -4.53 6.41 4.05 -0.38 -4.89 115.26 107.58 2jpu n ASN 46 Ca 0.11 -0.46 -0.43 0.00 0.45 0.00 0.00 54.58 54.26 2jpu n ASN 46 Cb 0.26 -4.93 -0.01 0.00 1.23 0.00 0.00 39.78 36.32 2jpu n ASN 46 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2jpu s LEU 47 N -4.83 4.18 0.29 1.20 1.43 -0.62 -4.82 118.68 115.50 2jpu s LEU 47 Ca 0.23 -2.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.11 2jpu s LEU 47 Cb -0.04 -2.51 0.42 0.00 0.03 0.00 0.00 46.19 44.09 2jpu s LEU 47 CO 0.76 -1.16 1.80 0.50 0.23 0.00 0.00 176.35 178.48 2jpu h LYS 48 N 8.30 0.70 0.00 1.70 3.64 -1.90 0.51 116.57 129.52 2jpu h LYS 48 Ca 0.31 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2jpu h LYS 48 Cb 0.93 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2jpu h LYS 48 CO 1.35 0.71 0.00 0.39 -2.27 0.00 0.00 179.45 179.64 2jpu n GLU 49 N -4.24 0.19 -0.08 1.90 -0.58 -1.26 -1.51 120.64 115.06 2jpu n GLU 49 Ca 0.02 0.39 -0.22 0.00 -0.42 0.00 0.00 57.16 56.93 2jpu n GLU 49 Cb 0.28 -1.84 -0.12 0.00 -0.57 0.00 0.00 31.44 29.19 2jpu n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2jpu n ILE 50 N -2.20 1.60 -0.26 -3.67 2.08 -0.36 -4.28 119.36 112.28 2jpu n ILE 50 Ca 0.03 -0.43 -0.04 0.00 0.56 0.00 0.00 62.75 62.87 2jpu n ILE 50 Cb 0.25 -1.77 0.12 0.00 -0.75 0.00 0.00 39.64 37.49 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 -0.43 1.25 0.00 1.39 1.35 -0.76 -1.14 112.91 114.57 2jpu h THR 51 Ca -0.50 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 2jpu h THR 51 Cb 1.74 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2jpu h THR 51 CO -0.13 0.30 0.00 -0.55 -0.25 0.00 0.00 175.52 174.89 2jpu h ASN 52 N 1.10 0.00 0.23 5.36 7.08 -1.49 0.13 115.58 128.00 2jpu h ASN 52 Ca 0.26 0.00 -0.35 0.00 -3.08 0.00 0.00 56.30 53.14 2jpu h ASN 52 Cb 0.14 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.37 2jpu h ASN 52 CO -0.03 0.00 -1.82 0.78 -2.08 0.00 0.00 177.43 174.28 2jpu h ASN 53 N 0.00 0.44 1.25 6.14 2.35 -1.44 -3.35 115.58 120.98 2jpu h ASN 53 Ca 0.00 -0.80 -0.04 0.00 -0.55 0.00 0.00 56.30 54.92 2jpu h ASN 53 Cb 0.29 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2jpu h ASN 53 CO 0.00 1.70 -0.17 0.58 -1.65 0.00 0.00 177.43 177.89 2jpu h VAL 54 N 0.08 0.36 0.00 2.81 2.07 -0.57 -3.00 116.25 117.99 2jpu h VAL 54 Ca -0.36 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2jpu h VAL 54 Cb 2.05 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 2jpu h VAL 54 CO 0.13 0.16 0.00 0.29 0.02 0.00 0.00 177.57 178.17 2jpu n LYS 55 N -3.24 0.04 -0.28 1.57 4.01 0.41 -0.88 118.16 119.79 2jpu n LYS 55 Ca 0.01 0.32 -0.06 0.00 -0.51 0.00 0.00 58.31 58.07 2jpu n LYS 55 Cb 0.47 -1.50 0.07 0.00 -0.51 0.00 0.00 35.03 33.56 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 1.09 -4.05 4.39 -1.24 -1.73 -3.45 115.58 110.59 2jpu h ASN 56 Ca 0.00 -0.18 -0.07 0.00 0.71 0.00 0.00 56.30 56.77 2jpu h ASN 56 Cb 0.10 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.86 2jpu h ASN 56 CO 0.00 0.97 -0.02 0.29 -1.29 0.00 0.00 177.43 177.38 2jpu n LYS 57 N -4.27 1.18 -0.00 6.67 4.76 -0.06 -5.05 118.16 121.40 2jpu n LYS 57 Ca 0.07 -0.43 0.03 0.00 -2.87 0.00 0.00 58.31 55.11 2jpu n LYS 57 Cb 0.19 0.01 -0.04 0.00 -1.84 0.00 0.00 35.03 33.36 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 4.11 0.37 3.09 0.72 0.00 -1.26 -4.99 105.19 107.23 2jpu n GLY 58 Ca 0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.64 0.41 0.14 1.61 3.52 -1.26 -5.11 118.95 116.62 2jpu s ARG 59 Ca 0.02 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 2jpu s ARG 59 Cb 0.05 0.17 -0.08 0.00 -1.56 0.00 0.00 34.95 33.53 2jpu s ARG 59 CO 0.25 -0.09 1.30 -1.58 -0.81 0.00 0.00 175.30 174.37 2jpu s TRP 60 N -1.03 3.31 -0.06 5.12 0.52 -1.26 -4.96 118.94 120.58 2jpu s TRP 60 Ca -0.11 1.18 -0.06 0.00 0.02 0.00 0.00 56.10 57.13 2jpu s TRP 60 Cb -0.06 -3.57 -0.02 0.00 -1.15 0.00 0.00 33.47 28.67 2jpu s TRP 60 CO 0.01 -1.82 -0.12 1.17 0.02 0.00 0.00 176.95 176.21 2jpu n LYS 61 N 3.26 0.18 0.00 4.98 4.81 -1.26 -5.05 118.16 125.09 2jpu n LYS 61 Ca 0.08 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2jpu n LYS 61 Cb 0.44 -0.81 0.00 0.00 0.02 0.00 0.00 35.03 34.68 2jpu n LYS 61 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2jpu n SER 62 N -3.17 0.00 -0.00 3.14 3.41 -1.26 -4.96 113.62 110.78 2jpu n SER 62 Ca -0.05 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.72 2jpu n SER 62 Cb 0.18 0.02 0.61 0.00 -0.26 0.00 0.00 64.21 64.75 2jpu n SER 62 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2jpu h GLU 63 N 0.00 0.16 -0.84 4.33 4.11 -2.00 -0.47 114.58 119.88 2jpu h GLU 63 Ca 0.00 -0.01 0.10 0.00 0.07 0.00 0.00 59.36 59.52 2jpu h GLU 63 Cb 0.00 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 2jpu h GLU 63 CO 0.00 0.10 0.48 -0.91 0.07 0.00 0.00 179.01 178.75 2jpu h ASN 64 N 0.16 0.67 -0.20 3.06 4.21 -1.98 0.88 115.58 122.38 2jpu h ASN 64 Ca 0.23 0.05 -0.19 0.00 1.21 0.00 0.00 56.30 57.61 2jpu h ASN 64 Cb 0.70 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2jpu h ASN 64 CO -0.03 0.37 -0.58 -0.07 -1.29 0.00 0.00 177.43 175.83 2jpu h LEU 65 N 0.78 0.90 -0.17 1.61 3.38 -1.45 -1.34 115.31 119.03 2jpu h LEU 65 Ca 0.41 -0.50 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 2jpu h LEU 65 Cb 0.40 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jpu h LEU 65 CO -0.26 1.28 -0.59 0.15 0.09 0.00 0.00 178.44 179.11 2jpu h PHE 66 N 0.61 0.92 -0.77 1.13 3.57 -1.38 -0.83 116.94 120.18 2jpu h PHE 66 Ca 0.00 -0.38 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 2jpu h PHE 66 Cb 1.18 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 2jpu h PHE 66 CO 0.07 1.18 0.33 -0.22 -2.23 0.00 0.00 178.31 177.44 2jpu h LYS 67 N 0.39 1.13 -0.33 1.11 3.11 -0.84 -0.97 116.57 120.17 2jpu h LYS 67 Ca -0.03 -0.18 -0.04 0.00 -2.81 0.00 0.00 60.65 57.60 2jpu h LYS 67 Cb 1.21 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 32.24 2jpu h LYS 67 CO 0.12 0.89 0.07 0.00 -2.81 0.00 0.00 179.45 177.73 2jpu h ALA 68 N 1.25 0.44 -0.01 5.00 0.00 -1.15 -2.70 119.26 122.10 2jpu h ALA 68 Ca 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jpu h ALA 68 Cb 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jpu h ALA 68 CO -0.03 0.12 -0.07 0.77 0.00 0.00 0.00 179.25 180.04 2jpu h SER 69 N 0.38 0.01 -0.55 0.00 0.02 -0.76 0.18 113.55 112.84 2jpu h SER 69 Ca 0.10 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2jpu h SER 69 Cb 0.32 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2jpu h SER 69 CO 0.00 0.08 0.30 0.11 -1.14 0.00 0.00 176.83 176.19 2jpu h LYS 70 N 0.01 0.76 0.09 3.45 1.79 -0.86 -2.59 116.57 119.21 2jpu h LYS 70 Ca 0.00 -0.09 -0.25 0.00 -2.18 0.00 0.00 60.65 58.13 2jpu h LYS 70 Cb 0.13 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2jpu h LYS 70 CO 0.01 0.58 -1.14 -0.07 -1.08 0.00 0.00 179.45 177.75 2jpu h LEU 71 N 0.73 0.39 -0.65 2.94 3.38 -1.15 -3.20 115.31 117.75 2jpu h LEU 71 Ca 0.19 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2jpu h LEU 71 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jpu h LEU 71 CO -0.03 1.27 0.00 0.18 0.09 0.00 0.00 178.44 179.95 2jpu n LEU 72 N -3.56 0.34 0.24 1.67 4.77 0.54 -1.53 117.00 119.47 2jpu n LEU 72 Ca -0.07 0.63 0.09 0.00 -0.03 0.00 0.00 56.01 56.63 2jpu n LEU 72 Cb 0.97 -0.63 0.60 0.00 -2.33 0.00 0.00 43.42 42.02 2jpu n LEU 72 CO 0.52 -0.63 0.90 -0.09 -1.33 0.00 0.00 177.39 176.76 2jpu h ARG 73 N 0.00 0.00 0.00 3.23 1.12 -1.46 0.18 114.38 117.45 2jpu h ARG 73 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2jpu h ARG 73 Cb 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 2jpu h ARG 73 CO 0.00 0.19 0.00 0.77 -3.11 0.00 0.00 179.97 177.82 2jpu h SER 74 N 0.00 0.00 0.00 -3.80 0.02 -1.50 -3.13 113.55 105.14 2jpu h SER 74 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jpu h SER 74 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2jpu h SER 74 CO 0.02 0.00 -0.35 -3.20 -1.14 0.00 0.00 176.83 172.16 2jpu n ASN 75 N -2.41 1.25 -3.90 3.07 5.15 -0.25 -4.94 115.26 113.23 2jpu n ASN 75 Ca 0.04 0.51 -0.23 0.00 -0.60 0.00 0.00 54.58 54.31 2jpu n ASN 75 Cb 0.40 -0.76 -0.17 0.00 -0.53 0.00 0.00 39.78 38.72 2jpu n ASN 75 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2jpu s ASN 76 N -5.04 1.56 0.36 1.20 -0.87 0.47 -5.01 114.94 107.60 2jpu s ASN 76 Ca -0.10 -0.20 0.27 0.00 -1.57 0.00 0.00 52.86 51.26 2jpu s ASN 76 Cb 0.01 -0.62 1.08 0.00 -0.02 0.00 0.00 41.25 41.71 2jpu s ASN 76 CO 0.15 -0.08 1.81 0.00 -2.57 0.00 0.00 177.10 176.41 2jpu h THR 77 N 6.15 0.00 -0.59 1.60 1.03 -1.77 -2.77 112.91 116.56 2jpu h THR 77 Ca -0.31 -0.37 -0.08 0.00 -0.01 0.00 0.00 66.41 65.64 2jpu h THR 77 Cb 1.15 1.22 -0.02 0.00 -1.07 0.00 0.00 68.15 69.43 2jpu h THR 77 CO 0.41 0.00 0.04 -0.33 -0.01 0.00 0.00 175.52 175.63 2jpu h GLU 78 N 0.00 1.00 -0.23 0.00 5.08 -1.91 -3.35 114.58 115.17 2jpu h GLU 78 Ca 0.00 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2jpu h GLU 78 Cb 0.46 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 2jpu h GLU 78 CO 0.00 0.96 -0.26 0.82 -1.00 0.00 0.00 179.01 179.52 2jpu h ILE 79 N 0.93 0.36 -0.89 3.13 2.04 -1.81 0.61 117.51 121.88 2jpu h ILE 79 Ca 0.18 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.19 2jpu h ILE 79 Cb 0.48 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 2jpu h ILE 79 CO 0.02 0.00 0.58 -0.65 0.00 0.00 0.00 178.15 178.10 2jpu h PRO 80 N -0.28 0.61 -0.03 2.37 0.11 -1.74 0.95 132.00 133.98 2jpu h PRO 80 Ca 0.13 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.03 2jpu h PRO 80 Cb 0.48 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.47 2jpu h PRO 80 CO -0.39 0.40 -0.65 0.82 -0.21 0.00 0.00 178.00 177.97 2jpu h ILE 81 N 0.63 1.38 -0.34 4.15 2.04 -1.34 -1.71 117.51 122.32 2jpu h ILE 81 Ca 0.46 -2.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 2jpu h ILE 81 Cb 0.82 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 2jpu h ILE 81 CO -0.21 0.61 0.18 -0.07 0.00 0.00 0.00 178.15 178.66 2jpu h LEU 82 N 0.05 0.42 -0.81 1.44 3.38 -0.04 -1.68 115.31 118.08 2jpu h LEU 82 Ca -0.07 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2jpu h LEU 82 Cb 1.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2jpu h LEU 82 CO 0.13 0.40 -0.20 -0.25 0.09 0.00 0.00 178.44 178.60 2jpu h TRP 83 N 0.42 0.76 -0.71 1.13 2.91 -0.93 -2.86 115.95 116.68 2jpu h TRP 83 Ca 0.12 -0.16 0.02 0.00 1.13 0.00 0.00 58.89 60.00 2jpu h TRP 83 Cb 0.07 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 28.49 2jpu h TRP 83 CO -0.03 0.83 0.46 -0.22 -1.03 0.00 0.00 178.44 178.45 2jpu h LYS 84 N 0.60 0.89 -0.63 2.65 3.64 -0.81 0.23 116.57 123.14 2jpu h LYS 84 Ca 0.09 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jpu h LYS 84 Cb 0.67 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 2jpu h LYS 84 CO 0.05 0.59 0.39 0.77 -2.27 0.00 0.00 179.45 178.97 2jpu h SER 85 N 0.91 0.74 -0.21 4.20 0.02 -1.19 -0.69 113.55 117.33 2jpu h SER 85 Ca 0.27 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2jpu h SER 85 Cb -0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2jpu h SER 85 CO -0.08 0.57 -0.07 0.00 -1.14 0.00 0.00 176.83 176.10 2jpu h ALA 86 N 1.20 0.29 -0.37 3.77 0.00 -1.12 -2.84 119.26 120.19 2jpu h ALA 86 Ca 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2jpu h ALA 86 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2jpu h ALA 86 CO -0.04 0.09 0.12 2.35 0.00 0.00 0.00 179.25 181.77 2jpu h TRP 87 N 0.13 0.52 -0.59 0.00 2.91 -0.45 -2.29 115.95 116.18 2jpu h TRP 87 Ca 0.05 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 2jpu h TRP 87 Cb 0.54 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 2jpu h TRP 87 CO 0.06 0.44 0.34 1.15 -1.03 0.00 0.00 178.44 179.39 2jpu h THR 88 N 0.52 1.18 -0.15 2.65 2.02 -0.96 -1.32 112.91 116.86 2jpu h THR 88 Ca 0.13 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 2jpu h THR 88 Cb 0.15 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2jpu h THR 88 CO -0.01 0.19 -0.11 -0.07 0.37 0.00 0.00 175.52 175.89 2jpu h LEU 89 N 0.79 0.22 0.04 2.58 3.38 -1.19 0.42 115.31 121.55 2jpu h LEU 89 Ca 0.21 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2jpu h LEU 89 Cb 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2jpu h LEU 89 CO -0.04 0.36 -0.02 -0.74 0.09 0.00 0.00 178.44 178.10 2jpu h HIS 90 N 0.22 -0.04 0.22 1.13 2.76 -1.04 -1.44 115.15 116.96 2jpu h HIS 90 Ca 0.05 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2jpu h HIS 90 Cb 0.34 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.32 2jpu h HIS 90 CO 0.01 0.34 -0.11 0.28 -1.30 0.00 0.00 177.93 177.14 2jpu h VAL 91 N -0.43 0.40 -0.00 5.26 2.07 -0.97 -3.34 116.25 119.23 2jpu h VAL 91 Ca -0.00 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2jpu h VAL 91 Cb 0.40 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2jpu h VAL 91 CO 0.01 0.11 -0.02 -0.62 0.02 0.00 0.00 177.57 177.06 2jpu n GLU 92 N -4.97 0.77 0.29 1.57 1.02 0.15 -3.02 120.64 116.44 2jpu n GLU 92 Ca -0.06 -0.11 0.16 0.00 -0.02 0.00 0.00 57.16 57.14 2jpu n GLU 92 Cb 0.21 -1.50 0.89 0.00 -0.02 0.00 0.00 31.44 31.02 2jpu n GLU 92 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2jpu h GLY 93 N 4.98 0.00 1.42 0.62 0.00 -1.34 0.22 103.07 108.98 2jpu h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jpu h GLY 93 CO 0.00 0.00 -0.51 -2.75 0.00 0.00 0.00 176.54 173.28 2jpu h PHE 94 N 0.00 0.00 0.05 5.60 3.57 -1.75 -3.37 116.94 121.03 2jpu h PHE 94 Ca -0.00 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.12 2jpu h PHE 94 Cb 0.20 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 2jpu h PHE 94 CO 0.00 0.00 -2.21 1.58 -2.23 0.00 0.00 178.31 175.45 2jpu n HIS 95 N -2.51 0.56 -2.96 0.41 -0.00 -0.07 -4.96 115.22 105.68 2jpu n HIS 95 Ca 0.03 0.14 -0.30 0.00 0.46 0.00 0.00 57.72 58.05 2jpu n HIS 95 Cb 0.49 -1.07 -0.03 0.00 -0.12 0.00 0.00 29.99 29.26 2jpu n HIS 95 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2jpu s GLU 96 N -2.52 3.72 -0.96 1.57 0.41 0.58 -4.99 118.70 116.51 2jpu s GLU 96 Ca -0.30 0.33 -0.22 0.00 -0.41 0.00 0.00 54.97 54.37 2jpu s GLU 96 Cb 0.08 -2.45 0.08 0.00 -1.78 0.00 0.00 34.13 30.06 2jpu s GLU 96 CO 0.65 0.01 1.31 -0.51 -0.49 0.00 0.00 175.26 176.23 2jpu s LEU 97 N -3.86 4.08 -1.18 1.80 2.01 -1.26 -4.07 118.68 116.21 2jpu s LEU 97 Ca 0.49 -1.61 0.00 0.00 0.01 0.00 0.00 54.13 53.02 2jpu s LEU 97 Cb -0.10 -2.50 0.00 0.00 0.01 0.00 0.00 46.19 43.59 2jpu s LEU 97 CO 0.32 -1.36 0.00 -1.20 1.01 0.00 0.00 176.35 175.12 2jpu n SER 98 N 8.02 -5.08 -0.89 2.29 7.64 -1.26 -4.74 113.62 119.61 2jpu n SER 98 Ca 0.27 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.43 2jpu n SER 98 Cb 0.50 -3.55 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 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 -1.26 0.00 -4.55 -3.43 4.77 -1.26 -4.86 117.00 106.42 2jpu n LEU 99 Ca -0.11 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.59 2jpu n LEU 99 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2jpu n LEU 99 CO 0.17 -1.36 -0.44 0.20 -1.33 0.00 0.00 177.39 174.63 2jpu s ASN 100 N -4.00 4.18 0.01 -1.43 0.01 -1.26 -5.05 114.94 107.40 2jpu s ASN 100 Ca 0.00 -0.52 -0.22 0.00 -0.71 0.00 0.00 52.86 51.41 2jpu s ASN 100 Cb 0.00 -0.70 -0.18 0.00 0.41 0.00 0.00 41.25 40.79 2jpu s ASN 100 CO 0.00 0.15 1.25 -0.08 -1.51 0.00 0.00 177.10 176.90 2jpu h GLU 101 N 3.35 0.29 -0.31 -0.60 4.81 -1.99 -1.15 114.58 118.97 2jpu h GLU 101 Ca -0.48 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 58.54 2jpu h GLU 101 Cb 1.18 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2jpu h GLU 101 CO 0.51 0.79 0.10 -0.22 -0.73 0.00 0.00 179.01 179.46 2jpu h LYS 102 N -0.17 0.44 0.13 1.92 3.11 -1.98 0.25 116.57 120.27 2jpu h LYS 102 Ca 0.00 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 2jpu h LYS 102 Cb 0.78 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 2jpu h LYS 102 CO 0.04 0.39 -0.06 1.49 -2.81 0.00 0.00 179.45 178.50 2jpu h GLU 103 N 0.44 -0.17 -0.32 1.90 4.81 -1.94 -2.66 114.58 116.64 2jpu h GLU 103 Ca 0.11 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2jpu h GLU 103 Cb 0.13 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2jpu h GLU 103 CO -0.01 0.12 -0.14 0.28 -0.73 0.00 0.00 179.01 178.53 2jpu h VAL 104 N -0.46 1.24 -0.18 0.32 2.07 -0.85 -2.72 116.25 115.68 2jpu h VAL 104 Ca -0.02 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.42 2jpu h VAL 104 Cb 0.37 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2jpu h VAL 104 CO 0.03 0.36 0.13 0.50 0.02 0.00 0.00 177.57 178.61 2jpu h LYS 105 N 0.52 0.11 0.01 1.57 3.64 -0.41 -0.95 116.57 121.07 2jpu h LYS 105 Ca 0.09 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2jpu h LYS 105 Cb 0.55 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2jpu h LYS 105 CO 0.04 0.08 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.07 2jpu h LYS 106 N 0.12 -0.01 -0.41 1.90 3.64 -1.15 -3.26 116.57 117.40 2jpu h LYS 106 Ca 0.08 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2jpu h LYS 106 Cb 0.17 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2jpu h LYS 106 CO -0.01 0.39 0.27 -0.07 -2.27 0.00 0.00 179.45 177.76 2jpu h LEU 107 N -0.43 0.39 -1.24 5.20 -0.00 -1.16 -0.94 115.31 117.13 2jpu h LEU 107 Ca -0.00 -0.01 0.17 0.00 -0.00 0.00 0.00 57.88 58.04 2jpu h LEU 107 Cb 0.41 -0.09 -0.08 0.00 -0.00 0.00 0.00 40.66 40.90 2jpu h LEU 107 CO 0.00 0.27 0.60 0.50 -0.00 0.00 0.00 178.44 179.81 2jpu h LYS 108 N 0.45 0.66 0.14 1.13 3.11 -1.35 0.18 116.57 120.90 2jpu h LYS 108 Ca 0.16 -0.04 -0.19 0.00 -2.81 0.00 0.00 60.65 57.77 2jpu h LYS 108 Cb 0.09 -0.15 0.02 0.00 -1.00 0.00 0.00 32.23 31.20 2jpu h LYS 108 CO -0.04 0.44 -0.82 1.49 -2.81 0.00 0.00 179.45 177.71 2jpu h GLU 109 N 0.68 0.31 -0.20 1.90 4.57 -1.32 -3.09 114.58 117.42 2jpu h GLU 109 Ca 0.49 -0.52 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2jpu h GLU 109 Cb 0.84 0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 2jpu h GLU 109 CO -0.25 1.25 0.03 -0.44 -1.18 0.00 0.00 179.01 178.42 2jpu h ASP 110 N -0.36 -0.01 -0.39 1.04 3.32 -0.86 -1.35 116.42 117.82 2jpu h ASP 110 Ca -0.14 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 2jpu h ASP 110 Cb 1.65 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 41.23 2jpu h ASP 110 CO 0.15 0.02 -0.04 0.58 -1.72 0.00 0.00 179.24 178.24 2jpu h VAL 111 N 0.11 1.25 -0.75 -1.35 2.07 -0.82 -2.43 116.25 114.33 2jpu h VAL 111 Ca 0.09 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 2jpu h VAL 111 Cb 0.09 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2jpu h VAL 111 CO -0.13 0.37 0.33 -0.09 0.02 0.00 0.00 177.57 178.08 2jpu h ARG 112 N 0.74 1.09 -0.73 1.57 2.43 -1.34 -0.34 114.38 117.80 2jpu h ARG 112 Ca 0.14 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2jpu h ARG 112 Cb 0.50 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2jpu h ARG 112 CO 0.03 0.86 0.36 0.87 -1.51 0.00 0.00 179.97 180.57 2jpu h LYS 113 N 1.07 1.03 -0.43 0.20 1.57 -0.80 -0.71 116.57 118.51 2jpu h LYS 113 Ca 0.26 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2jpu h LYS 113 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2jpu h LYS 113 CO -0.03 0.79 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.47 2jpu h LEU 114 N 1.02 0.82 -0.17 2.94 4.07 -0.98 -2.58 115.31 120.43 2jpu h LEU 114 Ca 0.25 -0.36 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 2jpu h LEU 114 Cb 0.09 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 2jpu h LEU 114 CO -0.03 0.99 0.09 0.58 -1.08 0.00 0.00 178.44 178.99 2jpu h VAL 115 N 0.65 1.11 -0.54 1.22 2.07 -0.56 -1.21 116.25 118.98 2jpu h VAL 115 Ca 0.11 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.40 2jpu h VAL 115 Cb 0.62 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2jpu h VAL 115 CO 0.04 0.10 0.36 0.40 0.02 0.00 0.00 177.57 178.49 2jpu h ILE 116 N 0.18 0.98 -0.11 4.57 2.04 -1.14 -1.25 117.51 122.77 2jpu h ILE 116 Ca 0.06 -0.17 -0.21 0.00 1.00 0.00 0.00 64.86 65.55 2jpu h ILE 116 Cb 0.08 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2jpu h ILE 116 CO -0.01 0.09 -0.76 -0.26 0.00 0.00 0.00 178.15 177.21 2jpu h PHE 117 N 0.48 0.80 -0.35 1.37 -1.00 -0.98 -0.34 116.94 116.93 2jpu h PHE 117 Ca 0.23 -0.36 -0.13 0.00 2.81 0.00 0.00 57.97 60.52 2jpu h PHE 117 Cb 0.31 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 2jpu h PHE 117 CO -0.00 1.15 -0.32 0.00 -1.61 0.00 0.00 178.31 177.53 2jpu h ALA 118 N 0.75 0.78 -0.12 2.45 0.00 -0.46 0.27 119.26 122.92 2jpu h ALA 118 Ca -0.04 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2jpu h ALA 118 Cb 1.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2jpu h ALA 118 CO 0.14 0.65 -0.41 0.28 0.00 0.00 0.00 179.25 179.91 2jpu h VAL 119 N 0.64 1.31 0.00 0.00 2.07 -1.18 -2.39 116.25 116.71 2jpu h VAL 119 Ca 0.07 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2jpu h VAL 119 Cb 0.85 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2jpu h VAL 119 CO 0.07 0.46 0.00 -1.13 0.02 0.00 0.00 177.57 176.99 2jpu h ASN 120 N 0.22 0.00 0.45 0.57 -0.73 -0.51 -3.10 115.58 112.49 2jpu h ASN 120 Ca 0.02 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.12 2jpu h ASN 120 Cb 0.82 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.40 2jpu h ASN 120 CO 0.06 0.00 -0.35 0.28 -0.37 0.00 0.00 177.43 177.05 2jpu h SER 121 N 0.00 0.00 1.27 1.15 0.02 -0.41 -2.56 113.55 113.03 2jpu h SER 121 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2jpu h SER 121 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2jpu h SER 121 CO 0.00 0.35 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.71 2jpu h LEU 122 N 0.00 0.00 -3.75 5.07 4.07 -1.63 -2.94 115.31 116.13 2jpu h LEU 122 Ca -0.00 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.74 2jpu h LEU 122 Cb 0.67 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.28 2jpu h LEU 122 CO 0.05 0.27 0.27 -0.62 -1.08 0.00 0.00 178.44 177.33 2jpu n GLU 123 N -3.28 3.81 -0.68 1.13 1.02 -0.97 -4.17 120.64 117.50 2jpu n GLU 123 Ca 0.01 -3.11 0.08 0.00 -0.02 0.00 0.00 57.16 54.13 2jpu n GLU 123 Cb 0.53 -2.23 0.35 0.00 -0.02 0.00 0.00 31.44 30.07 2jpu n GLU 123 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jpu n HIS 124 N -0.12 1.58 -2.49 -0.32 8.25 -1.11 -4.79 115.22 116.21 2jpu n HIS 124 Ca 0.41 -0.71 -0.43 0.00 -0.26 0.00 0.00 57.72 56.73 2jpu n HIS 124 Cb 1.40 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 32.15 2jpu n HIS 124 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jpu n HIS 125 N 0.56 4.23 -4.32 4.41 -0.00 -1.26 -4.89 115.22 113.94 2jpu n HIS 125 Ca 0.25 -3.02 -0.21 0.00 -0.00 0.00 0.00 57.72 54.75 2jpu n HIS 125 Cb 1.00 -2.35 -0.16 0.00 -0.00 0.00 0.00 29.99 28.48 2jpu n HIS 125 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jpu s HIS 126 N 2.46 0.92 -0.27 1.57 5.04 -1.26 -5.09 115.29 118.67 2jpu s HIS 126 Ca 0.46 -0.26 -0.28 0.00 -1.54 0.00 0.00 55.06 53.44 2jpu s HIS 126 Cb 0.05 -0.71 -0.06 0.00 0.04 0.00 0.00 32.58 31.90 2jpu s HIS 126 CO 0.01 -0.16 2.26 -2.39 -2.34 0.00 0.00 174.74 172.12 2jpu n HIS 127 N 3.65 1.85 -2.99 3.88 1.44 -1.26 -4.89 115.22 116.90 2jpu n HIS 127 Ca -0.22 -0.07 -0.44 0.00 -2.01 0.00 0.00 57.72 54.98 2jpu n HIS 127 Cb 0.53 -2.71 -0.04 0.00 0.12 0.00 0.00 29.99 27.89 2jpu n HIS 127 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2jpu s HIS 128 N 9.00 2.88 -2.36 -1.40 -3.43 -1.26 -5.30 115.29 113.42 2jpu s HIS 128 Ca 1.01 -0.84 0.19 0.00 -0.80 0.00 0.00 55.06 54.62 2jpu s HIS 128 Cb -0.33 -4.15 0.15 0.00 -1.43 0.00 0.00 32.58 26.82 2jpu s HIS 128 CO 0.34 -1.46 1.10 1.58 -2.00 0.00 0.00 174.74 174.30