#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmx s ALA 2 N 0.00 3.33 -0.31 3.13 0.00 -1.26 -5.13 121.76 121.53 2jmx s ALA 2 Ca 0.00 -2.15 -0.01 0.00 0.00 0.00 0.00 51.96 49.79 2jmx s ALA 2 Cb 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 23.12 23.08 2jmx s ALA 2 CO 0.00 -0.09 0.22 0.21 0.00 0.00 0.00 175.76 176.10 2jmx s LYS 3 N -3.78 0.35 0.09 0.00 2.20 -1.26 -5.14 119.74 112.20 2jmx s LYS 3 Ca 0.37 -0.61 0.08 0.00 -0.36 0.00 0.00 55.97 55.46 2jmx s LYS 3 Cb 0.05 -0.99 -0.03 0.00 -1.51 0.00 0.00 37.83 35.35 2jmx s LYS 3 CO 0.20 -1.08 -0.22 -0.51 -0.36 0.00 0.00 175.35 173.38 2jmx s LEU 4 N 1.90 2.27 -0.13 5.43 1.02 -1.26 -5.14 118.68 122.77 2jmx s LEU 4 Ca 0.12 -0.65 -0.06 0.00 0.02 0.00 0.00 54.13 53.55 2jmx s LEU 4 Cb -0.17 -0.96 0.05 0.00 0.02 0.00 0.00 46.19 45.14 2jmx s LEU 4 CO -0.25 0.10 0.30 0.68 0.02 0.00 0.00 176.35 177.20 2jmx s VAL 5 N -1.05 -0.06 -0.34 -1.59 -7.23 -1.26 -5.12 120.40 103.76 2jmx s VAL 5 Ca 0.08 0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.40 2jmx s VAL 5 Cb -0.10 -0.45 0.15 0.00 0.56 0.00 0.00 36.38 36.54 2jmx s VAL 5 CO 0.04 0.06 0.34 -0.13 -0.31 0.00 0.00 175.10 175.09 2jmx s ARG 6 N 1.37 0.50 0.29 4.82 0.52 -1.26 -5.13 118.95 120.06 2jmx s ARG 6 Ca -0.09 -0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 54.25 2jmx s ARG 6 Cb -0.10 -0.71 -0.10 0.00 0.52 0.00 0.00 34.95 34.56 2jmx s ARG 6 CO -0.10 -1.13 1.14 -1.25 0.02 0.00 0.00 175.30 173.98 2jmx s PRO 7 N 1.81 4.59 0.08 3.54 0.04 -1.26 -5.04 135.00 138.75 2jmx s PRO 7 Ca 0.14 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 2jmx s PRO 7 Cb -0.15 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2jmx s PRO 7 CO -0.16 0.14 0.09 -0.35 0.04 0.00 0.00 177.00 176.76 2jmx n PRO 8 N 1.15 -0.69 -4.39 0.56 -0.04 -1.26 -5.10 135.00 125.24 2jmx n PRO 8 Ca -0.01 -0.13 -0.19 0.00 -0.04 0.00 0.00 63.50 63.12 2jmx n PRO 8 Cb 0.44 -0.11 -0.10 0.00 -0.04 0.00 0.00 33.50 33.69 2jmx n PRO 8 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jmx s VAL 9 N -1.17 1.28 0.02 0.52 -7.23 -1.26 -5.10 120.40 107.46 2jmx s VAL 9 Ca 0.05 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 2jmx s VAL 9 Cb -0.00 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 2jmx s VAL 9 CO 0.04 -0.25 -0.10 1.67 -0.31 0.00 0.00 175.10 176.14 2jmx n GLN 10 N -0.53 0.15 -4.47 4.82 7.27 -1.26 -5.07 117.38 118.29 2jmx n GLN 10 Ca -0.05 0.06 -0.23 0.00 0.07 0.00 0.00 57.00 56.85 2jmx n GLN 10 Cb 0.64 -0.77 -0.14 0.00 2.41 0.00 0.00 30.24 32.39 2jmx n GLN 10 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 2jmx s ILE 11 N -2.26 1.45 -0.43 1.69 1.10 -1.26 -4.76 121.20 116.73 2jmx s ILE 11 Ca -0.09 -1.18 0.06 0.00 -0.51 0.00 0.00 60.65 58.94 2jmx s ILE 11 Cb 0.01 -1.29 0.17 0.00 0.15 0.00 0.00 42.46 41.51 2jmx s ILE 11 CO 0.13 0.08 0.56 -0.72 -2.11 0.00 0.00 174.94 172.87 2jmx s TYR 12 N -0.88 -1.03 0.00 3.50 1.13 -1.26 -5.10 117.35 113.71 2jmx s TYR 12 Ca 0.05 -0.52 0.00 0.00 -1.41 0.00 0.00 57.07 55.19 2jmx s TYR 12 Cb -0.09 -0.00 0.00 0.00 -1.10 0.00 0.00 41.96 40.77 2jmx s TYR 12 CO 0.02 -1.11 0.00 0.41 -2.51 0.00 0.00 175.55 172.36 2jmx n GLY 13 N 3.82 3.40 0.50 5.49 0.00 -1.26 -4.87 105.19 112.27 2jmx n GLY 13 Ca 0.15 -0.63 0.36 0.00 0.00 0.00 0.00 46.02 45.90 2jmx n GLY 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jmx h ILE 14 N 0.00 0.22 -0.80 -0.61 6.09 -2.01 0.51 117.51 120.91 2jmx h ILE 14 Ca 0.00 -0.04 0.18 0.00 -1.37 0.00 0.00 64.86 63.63 2jmx h ILE 14 Cb 0.00 0.09 -0.05 0.00 0.47 0.00 0.00 36.82 37.33 2jmx h ILE 14 CO 0.00 0.02 0.54 -0.33 -3.07 0.00 0.00 178.15 175.31 2jmx h GLU 15 N 0.12 0.32 -0.55 2.19 3.07 -1.93 0.15 114.58 117.95 2jmx h GLU 15 Ca 0.76 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.49 2jmx h GLU 15 Cb 2.50 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 30.32 2jmx h GLU 15 CO -0.28 0.21 -0.09 0.78 -1.40 0.00 0.00 179.01 178.23 2jmx h GLY 16 N 0.33 1.11 1.12 -3.84 0.00 -0.19 -2.75 103.07 98.85 2jmx h GLY 16 Ca 0.40 -0.88 0.09 0.00 0.00 0.00 0.00 47.33 46.94 2jmx h GLY 16 CO -0.12 0.81 0.37 3.21 0.00 0.00 0.00 176.54 180.81 2jmx h ARG 17 N 0.91 0.32 -0.96 4.80 3.08 -0.77 -1.18 114.38 120.59 2jmx h ARG 17 Ca 0.14 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.34 2jmx h ARG 17 Cb 0.66 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.55 2jmx h ARG 17 CO 0.05 0.22 0.61 1.88 -1.07 0.00 0.00 179.97 181.65 2jmx h TYR 18 N 0.33 0.94 -0.06 3.04 -1.99 -1.32 0.95 116.97 118.85 2jmx h TYR 18 Ca 0.25 0.03 -0.23 0.00 2.00 0.00 0.00 58.73 60.77 2jmx h TYR 18 Cb 0.54 -0.29 0.01 0.00 2.00 0.00 0.00 36.73 38.99 2jmx h TYR 18 CO -0.00 0.28 -0.89 0.00 -0.00 0.00 0.00 178.16 177.55 2jmx h ALA 19 N 1.61 0.30 -0.02 3.88 0.00 -1.35 -2.57 119.26 121.11 2jmx h ALA 19 Ca 0.52 -0.65 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2jmx h ALA 19 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jmx h ALA 19 CO -0.28 0.72 -0.77 1.79 0.00 0.00 0.00 179.25 180.70 2jmx h THR 20 N 0.40 1.47 0.00 0.00 1.35 -0.89 0.31 112.91 115.55 2jmx h THR 20 Ca -0.08 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 2jmx h THR 20 Cb 1.52 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 2jmx h THR 20 CO 0.17 0.71 0.00 0.00 -0.25 0.00 0.00 175.52 176.15 2jmx h ALA 21 N 1.09 1.00 0.00 6.62 0.00 0.82 0.18 119.26 128.98 2jmx h ALA 21 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.45 2jmx h ALA 21 Cb 1.35 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 2jmx h ALA 21 CO 0.11 0.00 -2.52 -0.11 0.00 0.00 0.00 179.25 176.73 2jmx n LEU 22 N -2.43 2.35 0.12 0.00 7.94 -0.97 -4.28 117.00 119.73 2jmx n LEU 22 Ca 0.04 0.16 0.13 0.00 -1.11 0.00 0.00 56.01 55.22 2jmx n LEU 22 Cb 0.38 -0.86 0.45 0.00 0.53 0.00 0.00 43.42 43.92 2jmx n LEU 22 CO 0.28 0.72 0.87 0.00 -1.11 0.00 0.00 177.39 178.15 2jmx n TYR 23 N -3.87 0.90 -0.34 1.96 0.18 0.11 -3.26 117.16 112.84 2jmx n TYR 23 Ca -0.51 0.30 0.11 0.00 1.88 0.00 0.00 57.90 59.69 2jmx n TYR 23 Cb 0.93 -0.99 0.30 0.00 -0.38 0.00 0.00 39.34 39.19 2jmx n TYR 23 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2jmx h SER 24 N 0.00 0.71 -0.08 9.48 0.87 -0.79 1.18 113.55 124.93 2jmx h SER 24 Ca 0.00 0.10 -0.22 0.00 -1.23 0.00 0.00 61.79 60.43 2jmx h SER 24 Cb 0.56 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2jmx h SER 24 CO 0.00 0.26 -0.83 0.00 -0.53 0.00 0.00 176.83 175.73 2jmx h ALA 25 N 1.63 0.20 -0.88 6.23 0.00 -1.80 -3.12 119.26 121.51 2jmx h ALA 25 Ca 0.55 -0.62 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2jmx h ALA 25 Cb 0.84 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2jmx h ALA 25 CO -0.38 0.61 0.57 0.00 0.00 0.00 0.00 179.25 180.05 2jmx h ALA 26 N 0.46 1.64 -0.79 0.00 0.00 -0.22 -1.24 119.26 119.12 2jmx h ALA 26 Ca -0.08 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2jmx h ALA 26 Cb 1.48 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 2jmx h ALA 26 CO 0.17 0.18 0.44 0.66 0.00 0.00 0.00 179.25 180.70 2jmx h SER 27 N 0.88 0.63 -0.50 0.00 4.64 0.12 0.89 113.55 120.20 2jmx h SER 27 Ca 0.41 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.65 2jmx h SER 27 Cb 0.40 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2jmx h SER 27 CO -0.17 0.36 -0.17 0.50 -0.87 0.00 0.00 176.83 176.49 2jmx h LYS 28 N 0.75 0.99 0.00 4.77 3.64 -1.31 -2.54 116.57 122.88 2jmx h LYS 28 Ca 0.38 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2jmx h LYS 28 Cb 0.34 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2jmx h LYS 28 CO -0.24 1.08 0.00 1.04 -2.27 0.00 0.00 179.45 179.06 2jmx n GLN 29 N -4.15 0.33 -3.10 1.90 6.02 -0.34 -4.91 117.38 113.13 2jmx n GLN 29 Ca 0.00 0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 56.88 2jmx n GLN 29 Cb 0.43 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.24 2jmx n GLN 29 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jmx n ASN 30 N -1.33 -4.24 -1.03 1.08 2.85 0.29 -4.94 115.26 107.95 2jmx n ASN 30 Ca 0.12 -0.32 0.08 0.00 -0.11 0.00 0.00 54.58 54.35 2jmx n ASN 30 Cb 0.25 -3.12 0.26 0.00 1.24 0.00 0.00 39.78 38.41 2jmx n ASN 30 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2jmx n LYS 31 N -3.07 3.22 -0.33 1.20 4.76 -0.38 -4.66 118.16 118.91 2jmx n LYS 31 Ca -0.01 -2.66 0.25 0.00 -2.87 0.00 0.00 58.31 53.02 2jmx n LYS 31 Cb 0.54 -1.73 0.55 0.00 -1.84 0.00 0.00 35.03 32.56 2jmx n LYS 31 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2jmx h LEU 32 N 2.46 0.37 -0.10 -0.35 -0.00 -1.93 0.42 115.31 116.18 2jmx h LEU 32 Ca 0.00 0.08 -0.19 0.00 -0.00 0.00 0.00 57.88 57.77 2jmx h LEU 32 Cb 1.29 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.98 2jmx h LEU 32 CO 0.18 0.05 -0.67 -0.08 -0.00 0.00 0.00 178.44 177.93 2jmx h GLU 33 N 0.32 0.64 0.00 1.13 4.81 -1.97 0.84 114.58 120.34 2jmx h GLU 33 Ca 0.61 -0.55 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2jmx h GLU 33 Cb 1.69 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 31.19 2jmx h GLU 33 CO -0.27 1.16 -0.09 1.96 -0.73 0.00 0.00 179.01 181.04 2jmx h GLN 34 N 0.29 0.00 0.00 1.92 4.20 -0.61 -2.53 115.11 118.38 2jmx h GLN 34 Ca -0.05 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.34 2jmx h GLN 34 Cb 1.31 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.04 2jmx h GLN 34 CO 0.14 0.09 -2.19 0.28 -0.67 0.00 0.00 178.83 176.48 2jmx n VAL 35 N -4.11 1.19 0.25 -0.54 0.31 0.10 -4.00 118.33 111.53 2jmx n VAL 35 Ca -0.03 -0.53 0.13 0.00 -0.01 0.00 0.00 64.34 63.91 2jmx n VAL 35 Cb 0.18 -1.06 0.59 0.00 -0.91 0.00 0.00 33.84 32.64 2jmx n VAL 35 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2jmx h GLU 36 N 0.00 0.00 0.03 5.55 4.22 0.69 -2.44 114.58 122.63 2jmx h GLU 36 Ca -0.47 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 58.62 2jmx h GLU 36 Cb 1.81 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.01 2jmx h GLU 36 CO -0.05 0.13 -2.17 1.17 -2.18 0.00 0.00 179.01 175.91 2jmx n LYS 37 N -3.31 0.68 0.06 1.92 4.81 -0.95 -4.03 118.16 117.33 2jmx n LYS 37 Ca -0.00 0.16 -0.14 0.00 -0.87 0.00 0.00 58.31 57.46 2jmx n LYS 37 Cb 0.35 -1.62 -0.04 0.00 0.02 0.00 0.00 35.03 33.74 2jmx n LYS 37 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2jmx h GLU 38 N 0.02 0.46 -0.87 1.64 3.07 -1.69 -3.14 114.58 114.07 2jmx h GLU 38 Ca -0.47 -0.47 0.09 0.00 -0.50 0.00 0.00 59.36 58.01 2jmx h GLU 38 Cb 2.05 0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 30.03 2jmx h GLU 38 CO 0.02 1.12 0.56 -0.07 -1.40 0.00 0.00 179.01 179.24 2jmx h LEU 39 N 0.27 0.77 -1.46 1.33 4.07 -1.63 -0.41 115.31 118.24 2jmx h LEU 39 Ca -0.08 0.02 0.08 0.00 0.08 0.00 0.00 57.88 57.99 2jmx h LEU 39 Cb 1.55 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 43.11 2jmx h LEU 39 CO 0.16 0.46 0.46 0.25 -1.08 0.00 0.00 178.44 178.68 2jmx h LEU 40 N 0.85 0.55 -0.96 1.67 5.85 -1.68 -1.54 115.31 120.05 2jmx h LEU 40 Ca 0.40 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.17 2jmx h LEU 40 Cb 0.41 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 2jmx h LEU 40 CO -0.17 0.34 0.63 -0.09 -0.34 0.00 0.00 178.44 178.82 2jmx h ARG 41 N 0.62 1.17 -0.82 1.25 9.65 -1.16 -1.68 114.38 123.42 2jmx h ARG 41 Ca 0.31 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2jmx h ARG 41 Cb 0.40 -0.26 -0.04 0.00 -1.39 0.00 0.00 29.97 28.67 2jmx h ARG 41 CO -0.10 0.78 0.49 0.28 2.80 0.00 0.00 179.97 184.22 2jmx h VAL 42 N 1.21 1.23 -0.13 0.20 2.07 -1.32 -1.48 116.25 118.03 2jmx h VAL 42 Ca 0.39 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2jmx h VAL 42 Cb 0.01 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2jmx h VAL 42 CO -0.13 0.24 0.06 1.23 0.02 0.00 0.00 177.57 178.99 2jmx h GLY 43 N 1.14 0.20 1.01 2.17 0.00 -1.27 -2.54 103.07 103.78 2jmx h GLY 43 Ca 0.29 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.55 2jmx h GLY 43 CO -0.06 0.10 0.61 -1.61 0.00 0.00 0.00 176.54 175.58 2jmx h GLN 44 N 0.07 1.15 -0.97 4.80 4.15 -1.04 0.34 115.11 123.61 2jmx h GLN 44 Ca 0.04 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.44 2jmx h GLN 44 Cb 0.15 -0.26 -0.06 0.00 0.21 0.00 0.00 27.48 27.52 2jmx h GLN 44 CO -0.00 0.76 0.63 0.82 -1.93 0.00 0.00 178.83 179.10 2jmx h ILE 45 N 1.18 1.13 0.03 2.39 2.04 -0.94 0.85 117.51 124.19 2jmx h ILE 45 Ca 0.36 -0.41 -0.24 0.00 1.00 0.00 0.00 64.86 65.57 2jmx h ILE 45 Cb -0.03 -0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 35.86 2jmx h ILE 45 CO -0.10 0.22 -1.16 0.25 0.00 0.00 0.00 178.15 177.36 2jmx h LEU 46 N 1.18 0.09 -0.73 1.44 5.85 -0.94 -3.24 115.31 118.96 2jmx h LEU 46 Ca 0.40 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.90 2jmx h LEU 46 Cb 0.06 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2jmx h LEU 46 CO -0.14 1.08 -0.57 0.50 -0.34 0.00 0.00 178.44 178.97 2jmx h LYS 47 N 0.02 0.00 -6.54 1.25 3.64 0.39 -3.36 116.57 111.97 2jmx h LYS 47 Ca -0.08 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.71 2jmx h LYS 47 Cb 1.85 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.75 2jmx h LYS 47 CO 0.14 0.57 0.50 0.39 -2.27 0.00 0.00 179.45 178.78 2jmx n GLU 48 N -3.66 1.81 0.06 1.90 1.02 0.29 -4.78 120.64 117.27 2jmx n GLU 48 Ca -0.01 0.64 -0.06 0.00 -0.02 0.00 0.00 57.16 57.72 2jmx n GLU 48 Cb 0.61 -2.24 0.11 0.00 -0.02 0.00 0.00 31.44 29.90 2jmx n GLU 48 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jmx h PRO 49 N 3.77 0.36 0.08 3.49 0.13 -1.89 0.84 132.00 138.78 2jmx h PRO 49 Ca -0.44 -0.22 -0.25 0.00 -0.87 0.00 0.00 66.00 64.21 2jmx h PRO 49 Cb 1.29 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2jmx h PRO 49 CO 0.73 0.81 -1.13 0.87 -0.23 0.00 0.00 178.00 179.05 2jmx h LYS 50 N 0.27 0.28 0.00 0.86 1.79 -1.94 -3.31 116.57 114.52 2jmx h LYS 50 Ca 0.00 -0.41 -0.23 0.00 -2.18 0.00 0.00 60.65 57.83 2jmx h LYS 50 Cb 1.05 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.80 2jmx h LYS 50 CO 0.09 1.16 -1.31 1.98 -1.08 0.00 0.00 179.45 180.29 2jmx h MET 51 N 0.11 0.00 -0.90 3.15 4.05 -1.79 -3.34 114.93 116.20 2jmx h MET 51 Ca -0.11 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.39 2jmx h MET 51 Cb 1.83 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.57 2jmx h MET 51 CO 0.18 0.62 0.59 0.00 0.23 0.00 0.00 176.91 178.53 2jmx h ALA 52 N 1.12 1.56 -0.65 0.39 0.00 0.64 -1.28 119.26 121.03 2jmx h ALA 52 Ca -0.15 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jmx h ALA 52 Cb 1.80 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 2jmx h ALA 52 CO 0.09 0.28 0.43 0.00 0.00 0.00 0.00 179.25 180.05 2jmx h ALA 53 N 1.53 1.68 -0.01 0.00 0.00 -1.69 -2.15 119.26 118.63 2jmx h ALA 53 Ca 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2jmx h ALA 53 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jmx h ALA 53 CO -0.16 0.24 -0.09 1.03 0.00 0.00 0.00 179.25 180.27 2jmx h SER 54 N 0.73 0.09 -0.56 0.00 0.87 -1.44 0.34 113.55 113.58 2jmx h SER 54 Ca 0.27 -0.74 0.12 0.00 -1.23 0.00 0.00 61.79 60.20 2jmx h SER 54 Cb 0.14 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2jmx h SER 54 CO -0.08 0.81 0.38 -0.07 -0.53 0.00 0.00 176.83 177.35 2jmx h LEU 55 N -0.63 0.23 0.00 2.23 3.38 -1.26 -2.68 115.31 116.59 2jmx h LEU 55 Ca -0.01 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2jmx h LEU 55 Cb 0.82 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 2jmx h LEU 55 CO 0.02 0.14 -2.12 -0.11 0.09 0.00 0.00 178.44 176.46 2jmx n LEU 56 N -4.45 0.19 -4.54 1.67 0.00 -0.83 -4.98 117.00 104.06 2jmx n LEU 56 Ca 0.10 0.09 -0.39 0.00 0.00 0.00 0.00 56.01 55.80 2jmx n LEU 56 Cb 0.45 0.31 0.04 0.00 0.00 0.00 0.00 43.42 44.21 2jmx n LEU 56 CO 0.35 0.33 0.33 0.59 0.00 0.00 0.00 177.39 178.99 2jmx n ASN 57 N -2.69 0.03 -0.00 1.96 3.02 0.12 -4.87 115.26 112.83 2jmx n ASN 57 Ca -0.22 0.83 0.16 0.00 -0.03 0.00 0.00 54.58 55.32 2jmx n ASN 57 Cb 0.98 -1.28 0.91 0.00 -0.61 0.00 0.00 39.78 39.78 2jmx n ASN 57 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2jmx n PRO 58 N -0.29 0.88 0.00 3.52 -0.04 -1.26 -3.67 135.00 134.14 2jmx n PRO 58 Ca 0.12 -0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 2jmx n PRO 58 Cb 0.45 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 2jmx n PRO 58 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2jmx h TYR 59 N 0.01 0.28 -0.36 0.54 -1.99 -1.90 -3.34 116.97 110.20 2jmx h TYR 59 Ca 0.00 -0.20 0.10 0.00 2.00 0.00 0.00 58.73 60.63 2jmx h TYR 59 Cb 0.06 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 2jmx h TYR 59 CO 0.00 1.41 0.27 0.28 -0.00 0.00 0.00 178.16 180.12 2jmx h VAL 60 N 0.04 0.76 -2.88 -2.88 2.07 -1.80 -3.48 116.25 108.08 2jmx h VAL 60 Ca -0.34 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.52 2jmx h VAL 60 Cb 2.02 0.81 -0.10 0.00 -1.52 0.00 0.00 31.29 32.51 2jmx h VAL 60 CO 0.09 0.00 -0.54 1.17 0.02 0.00 0.00 177.57 178.31 2jmx n LYS 61 N -4.34 -2.60 -0.12 1.57 3.00 -1.26 -3.13 118.16 111.29 2jmx n LYS 61 Ca 0.06 1.77 -0.25 0.00 -0.00 0.00 0.00 58.31 59.89 2jmx n LYS 61 Cb 0.45 -3.17 -0.08 0.00 0.00 0.00 0.00 35.03 32.23 2jmx n LYS 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2jmx n ARG 62 N -3.83 0.52 -0.29 1.64 0.63 -1.26 -3.53 116.66 110.54 2jmx n ARG 62 Ca -0.00 0.23 -0.01 0.00 -0.92 0.00 0.00 57.85 57.15 2jmx n ARG 62 Cb 0.65 -1.38 0.12 0.00 0.45 0.00 0.00 32.46 32.30 2jmx n ARG 62 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2jmx h SER 63 N -0.89 0.81 -0.39 6.15 0.87 -1.88 0.45 113.55 118.66 2jmx h SER 63 Ca -0.58 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 59.87 2jmx h SER 63 Cb 1.50 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 2jmx h SER 63 CO -0.35 0.53 -0.24 0.58 -0.53 0.00 0.00 176.83 176.82 2jmx h VAL 64 N 0.95 1.28 -0.56 2.23 2.07 -1.80 -2.89 116.25 117.53 2jmx h VAL 64 Ca 0.35 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2jmx h VAL 64 Cb 0.11 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2jmx h VAL 64 CO -0.15 0.46 0.35 0.50 0.02 0.00 0.00 177.57 178.75 2jmx h LYS 65 N 0.67 0.74 -0.97 1.57 3.64 -1.27 -2.03 116.57 118.92 2jmx h LYS 65 Ca 0.08 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2jmx h LYS 65 Cb 0.81 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 2jmx h LYS 65 CO 0.07 0.51 0.63 0.28 -2.27 0.00 0.00 179.45 178.66 2jmx h VAL 66 N 0.76 1.07 -0.44 2.00 2.07 -0.72 -1.05 116.25 119.94 2jmx h VAL 66 Ca 0.20 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 2jmx h VAL 66 Cb -0.05 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.57 2jmx h VAL 66 CO -0.04 0.20 -0.14 0.50 0.02 0.00 0.00 177.57 178.11 2jmx h LYS 67 N 1.11 0.87 -0.65 1.57 3.64 -1.38 -2.85 116.57 118.88 2jmx h LYS 67 Ca 0.42 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2jmx h LYS 67 Cb 0.20 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2jmx h LYS 67 CO -0.17 0.99 0.38 0.77 -2.27 0.00 0.00 179.45 179.15 2jmx h SER 68 N 0.70 0.78 -0.39 4.20 0.02 -1.08 -0.89 113.55 116.88 2jmx h SER 68 Ca 0.11 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2jmx h SER 68 Cb 0.70 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2jmx h SER 68 CO 0.05 0.61 0.26 -0.07 -1.14 0.00 0.00 176.83 176.53 2jmx h LEU 69 N 0.89 0.44 -0.34 5.07 4.07 -1.00 0.64 115.31 125.08 2jmx h LEU 69 Ca 0.23 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 58.09 2jmx h LEU 69 Cb -0.02 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 2jmx h LEU 69 CO -0.04 0.32 -0.16 0.28 -1.08 0.00 0.00 178.44 177.75 2jmx h SER 70 N 0.52 0.74 1.02 -0.43 0.02 -1.33 0.22 113.55 114.31 2jmx h SER 70 Ca 0.15 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2jmx h SER 70 Cb -0.05 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.29 2jmx h SER 70 CO -0.04 0.98 0.00 -0.78 -1.14 0.00 0.00 176.83 175.85 2jmx h ASP 71 N 0.49 0.00 0.08 3.07 1.82 -0.85 -1.42 116.42 119.61 2jmx h ASP 71 Ca 0.08 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.43 2jmx h ASP 71 Cb 0.70 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.69 2jmx h ASP 71 CO 0.05 0.00 -1.54 -0.03 -1.61 0.00 0.00 179.24 176.11 2jmx h MET 72 N 0.00 0.17 -0.79 0.28 4.05 0.61 -3.31 114.93 115.93 2jmx h MET 72 Ca 0.00 -0.29 0.06 0.00 -0.28 0.00 0.00 59.70 59.20 2jmx h MET 72 Cb 0.51 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.36 2jmx h MET 72 CO 0.00 1.14 0.52 1.15 0.23 0.00 0.00 176.91 179.95 2jmx h THR 73 N -0.42 1.04 -0.97 -0.77 2.02 -0.49 0.83 112.91 114.15 2jmx h THR 73 Ca -0.35 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.56 2jmx h THR 73 Cb 1.69 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 2jmx h THR 73 CO -0.02 0.16 0.64 0.00 0.37 0.00 0.00 175.52 176.66 2jmx h ALA 74 N 1.57 1.37 0.09 6.16 0.00 -1.38 -1.30 119.26 125.77 2jmx h ALA 74 Ca 0.34 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.88 2jmx h ALA 74 Cb 0.23 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2jmx h ALA 74 CO -0.12 0.54 -1.69 0.87 0.00 0.00 0.00 179.25 178.86 2jmx h LYS 75 N 1.23 0.20 0.00 0.00 1.79 -1.29 -3.32 116.57 115.18 2jmx h LYS 75 Ca 0.38 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2jmx h LYS 75 Cb -0.01 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2jmx h LYS 75 CO -0.12 1.01 0.00 0.93 -1.08 0.00 0.00 179.45 180.19 2jmx h GLU 76 N 0.05 0.00 -5.43 3.15 5.08 0.89 -3.46 114.58 114.87 2jmx h GLU 76 Ca -0.30 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.73 2jmx h GLU 76 Cb 2.02 0.00 0.15 0.00 0.50 0.00 0.00 28.75 31.42 2jmx h GLU 76 CO 0.13 0.00 -0.68 1.17 -1.00 0.00 0.00 179.01 178.62 2jmx n LYS 77 N -2.78 -6.65 -0.08 2.33 4.81 -0.51 -4.98 118.16 110.29 2jmx n LYS 77 Ca -0.01 0.78 -0.07 0.00 -0.87 0.00 0.00 58.31 58.14 2jmx n LYS 77 Cb 0.15 -5.63 0.07 0.00 0.02 0.00 0.00 35.03 29.64 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2jmx n PHE 78 N -4.27 -2.13 -3.18 5.64 3.72 -1.23 -5.03 117.46 110.98 2jmx n PHE 78 Ca -0.16 -0.15 -0.11 0.00 -0.05 0.00 0.00 57.45 56.97 2jmx n PHE 78 Cb 0.62 -0.34 0.03 0.00 -0.94 0.00 0.00 39.48 38.84 2jmx n PHE 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jmx n SER 79 N -3.01 1.31 0.01 4.37 7.64 -1.26 -4.97 113.62 117.71 2jmx n SER 79 Ca 0.03 -1.87 0.09 0.00 1.01 0.00 0.00 58.87 58.14 2jmx n SER 79 Cb 0.14 -0.18 0.40 0.00 -1.01 0.00 0.00 64.21 63.56 2jmx n SER 79 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2jmx n PRO 80 N -1.56 0.01 -0.14 1.43 -0.04 -1.26 -2.87 135.00 130.57 2jmx n PRO 80 Ca 0.06 0.19 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 2jmx n PRO 80 Cb 0.32 -1.52 0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2jmx n PRO 80 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jmx n LEU 81 N -1.55 2.64 0.00 1.53 4.77 -1.26 -4.64 117.00 118.49 2jmx n LEU 81 Ca 0.04 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 2jmx n LEU 81 Cb 0.22 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2jmx n LEU 81 CO 0.18 0.64 0.39 0.41 -1.33 0.00 0.00 177.39 177.68 2jmx n THR 82 N -0.53 0.59 -1.72 -5.08 -1.04 -1.14 -4.58 114.28 100.78 2jmx n THR 82 Ca 0.11 -0.76 -0.29 0.00 -2.04 0.00 0.00 64.05 61.06 2jmx n THR 82 Cb 0.51 0.73 0.05 0.00 -1.82 0.00 0.00 70.33 69.79 2jmx n THR 82 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2jmx n SER 83 N -0.30 6.20 0.16 8.00 3.41 -1.25 -3.91 113.62 125.93 2jmx n SER 83 Ca 0.00 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 2jmx n SER 83 Cb 0.17 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2jmx n SER 83 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jmx n ASN 84 N -0.80 -1.08 0.09 4.04 5.15 -1.26 -4.79 115.26 116.61 2jmx n ASN 84 Ca 0.52 0.57 0.17 0.00 -0.60 0.00 0.00 54.58 55.24 2jmx n ASN 84 Cb 0.82 1.19 0.70 0.00 -0.53 0.00 0.00 39.78 41.96 2jmx n ASN 84 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2jmx h LEU 85 N 0.00 0.00 -1.15 1.20 5.85 -1.81 0.16 115.31 119.56 2jmx h LEU 85 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2jmx h LEU 85 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2jmx h LEU 85 CO 0.00 0.00 0.58 -0.29 -0.34 0.00 0.00 178.44 178.39 2jmx h ILE 86 N 0.00 1.21 -0.06 4.05 2.10 -1.87 -1.06 117.51 121.89 2jmx h ILE 86 Ca 0.17 -0.40 -0.01 0.00 1.08 0.00 0.00 64.86 65.69 2jmx h ILE 86 Cb 0.71 -0.06 -0.00 0.00 -1.09 0.00 0.00 36.82 36.38 2jmx h ILE 86 CO -0.00 0.21 -0.02 0.78 -1.08 0.00 0.00 178.15 178.04 2jmx h ASN 87 N 1.17 0.12 -0.99 2.19 2.35 -1.28 -2.87 115.58 116.27 2jmx h ASN 87 Ca 0.32 -0.40 0.18 0.00 -0.55 0.00 0.00 56.30 55.86 2jmx h ASN 87 Cb -0.12 -0.03 -0.10 0.00 0.05 0.00 0.00 38.32 38.12 2jmx h ASN 87 CO -0.07 0.49 0.61 -0.07 -1.65 0.00 0.00 177.43 176.74 2jmx h LEU 88 N -0.26 0.75 -0.85 1.61 3.38 -1.24 0.73 115.31 119.43 2jmx h LEU 88 Ca 0.01 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2jmx h LEU 88 Cb 0.44 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2jmx h LEU 88 CO 0.01 0.29 0.50 -0.07 0.09 0.00 0.00 178.44 179.26 2jmx h LEU 89 N 0.74 1.03 -3.67 1.67 3.38 -1.02 -2.36 115.31 115.07 2jmx h LEU 89 Ca 0.55 -0.07 -0.36 0.00 0.09 0.00 0.00 57.88 58.09 2jmx h LEU 89 Cb 0.89 -0.26 -0.21 0.00 0.09 0.00 0.00 40.66 41.17 2jmx h LEU 89 CO -0.33 0.80 0.27 0.00 0.09 0.00 0.00 178.44 179.27 2jmx n ALA 90 N -2.37 5.00 -0.13 1.53 0.00 0.45 -1.44 120.51 123.54 2jmx n ALA 90 Ca 0.09 -3.06 -0.21 0.00 0.00 0.00 0.00 53.44 50.26 2jmx n ALA 90 Cb 0.07 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.32 2jmx n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jmx n GLU 91 N -1.13 0.59 -0.87 0.00 0.00 0.22 -4.56 120.64 114.90 2jmx n GLU 91 Ca 0.47 0.18 -0.01 0.00 0.00 0.00 0.00 57.16 57.79 2jmx n GLU 91 Cb 1.32 -1.47 0.18 0.00 0.00 0.00 0.00 31.44 31.47 2jmx n GLU 91 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2jmx n ASN 92 N -3.58 2.42 -1.53 4.31 3.02 -1.25 -4.93 115.26 113.72 2jmx n ASN 92 Ca -0.46 -3.86 -0.05 0.00 -0.03 0.00 0.00 54.58 50.17 2jmx n ASN 92 Cb 0.93 -0.53 0.02 0.00 -0.61 0.00 0.00 39.78 39.59 2jmx n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jmx n GLY 93 N -1.06 0.34 1.92 7.41 0.00 -1.26 -4.96 105.19 107.58 2jmx n GLY 93 Ca 0.26 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2jmx n GLY 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jmx n ARG 94 N -1.78 2.36 -1.06 1.61 3.00 -0.52 -4.55 116.66 115.72 2jmx n ARG 94 Ca -0.05 -3.25 -0.16 0.00 -0.00 0.00 0.00 57.85 54.39 2jmx n ARG 94 Cb 0.54 -2.11 0.19 0.00 0.00 0.00 0.00 32.46 31.08 2jmx n ARG 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2jmx n LEU 95 N -1.05 5.70 -0.07 6.15 4.77 -1.17 -3.97 117.00 127.37 2jmx n LEU 95 Ca 0.51 -3.68 -0.14 0.00 -0.03 0.00 0.00 56.01 52.67 2jmx n LEU 95 Cb 1.18 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 2jmx n LEU 95 CO 0.51 1.14 -0.87 0.35 -1.33 0.00 0.00 177.39 177.19 2jmx n THR 96 N -1.13 1.04 -1.37 -5.08 -2.24 -1.26 -4.59 114.28 99.65 2jmx n THR 96 Ca 0.49 -0.09 -0.28 0.00 -2.27 0.00 0.00 64.05 61.90 2jmx n THR 96 Cb 1.42 -1.81 0.12 0.00 -2.10 0.00 0.00 70.33 67.95 2jmx n THR 96 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jmx n ASN 97 N -3.83 5.80 0.05 3.42 3.02 -1.26 -4.67 115.26 117.78 2jmx n ASN 97 Ca -0.25 -3.73 -0.01 0.00 -0.03 0.00 0.00 54.58 50.56 2jmx n ASN 97 Cb 0.60 -0.85 0.27 0.00 -0.61 0.00 0.00 39.78 39.20 2jmx n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmx h THR 98 N 1.10 1.23 -0.46 3.41 1.03 -1.81 -2.94 112.91 114.47 2jmx h THR 98 Ca 0.56 -1.06 -0.04 0.00 -0.01 0.00 0.00 66.41 65.87 2jmx h THR 98 Cb 1.58 1.26 -0.02 0.00 -1.07 0.00 0.00 68.15 69.90 2jmx h THR 98 CO 1.27 0.34 0.14 1.55 -0.01 0.00 0.00 175.52 178.81 2jmx h PRO 99 N 0.36 0.68 -0.70 0.00 0.13 -1.93 -1.99 132.00 128.55 2jmx h PRO 99 Ca 0.06 -0.11 0.09 0.00 -0.87 0.00 0.00 66.00 65.17 2jmx h PRO 99 Cb 0.53 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.50 2jmx h PRO 99 CO 0.03 0.60 0.46 0.00 -0.23 0.00 0.00 178.00 178.87 2jmx h ALA 100 N 1.49 1.86 -0.83 -0.56 0.00 -1.89 -0.77 119.26 118.55 2jmx h ALA 100 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2jmx h ALA 100 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2jmx h ALA 100 CO -0.01 -0.00 0.41 0.28 0.00 0.00 0.00 179.25 179.92 2jmx h VAL 101 N 0.60 1.25 -0.27 0.00 2.07 -1.45 -1.04 116.25 117.41 2jmx h VAL 101 Ca 0.32 -0.70 -0.15 0.00 0.82 0.00 0.00 66.70 66.98 2jmx h VAL 101 Cb 0.46 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2jmx h VAL 101 CO -0.11 0.30 -0.43 0.40 0.02 0.00 0.00 177.57 177.75 2jmx h ILE 102 N 1.18 1.29 -0.09 4.57 2.04 -1.19 -2.59 117.51 122.72 2jmx h ILE 102 Ca 0.29 -1.62 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 2jmx h ILE 102 Cb 0.10 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2jmx h ILE 102 CO -0.04 0.52 0.05 -1.28 0.00 0.00 0.00 178.15 177.40 2jmx h SER 103 N 0.53 0.12 -0.73 1.72 0.87 -1.09 -2.44 113.55 112.53 2jmx h SER 103 Ca 0.02 -0.12 0.08 0.00 -1.23 0.00 0.00 61.79 60.54 2jmx h SER 103 Cb 1.03 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.91 2jmx h SER 103 CO 0.10 0.21 0.48 0.00 -0.53 0.00 0.00 176.83 177.09 2jmx h ALA 104 N 0.92 1.78 -0.82 6.23 0.00 -1.22 -1.51 119.26 124.64 2jmx h ALA 104 Ca 0.03 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2jmx h ALA 104 Cb 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2jmx h ALA 104 CO -0.00 0.08 0.50 0.35 0.00 0.00 0.00 179.25 180.18 2jmx h PHE 105 N 0.68 0.93 -0.51 0.00 3.04 -1.02 0.27 116.94 120.33 2jmx h PHE 105 Ca 0.33 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.20 2jmx h PHE 105 Cb 0.38 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 2jmx h PHE 105 CO -0.00 0.48 -0.09 1.03 -2.02 0.00 0.00 178.31 177.70 2jmx h SER 106 N 0.92 0.93 0.01 0.41 0.87 -1.14 0.20 113.55 115.75 2jmx h SER 106 Ca 0.35 -0.29 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 2jmx h SER 106 Cb 0.15 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2jmx h SER 106 CO -0.17 1.04 -0.69 0.74 -0.53 0.00 0.00 176.83 177.22 2jmx h THR 107 N 0.84 1.32 -0.10 2.23 2.02 -1.10 -2.97 112.91 115.15 2jmx h THR 107 Ca 0.14 -1.96 -0.18 0.00 0.77 0.00 0.00 66.41 65.17 2jmx h THR 107 Cb 0.62 1.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2jmx h THR 107 CO 0.04 0.61 -0.71 0.24 0.37 0.00 0.00 175.52 176.08 2jmx h MET 108 N 0.44 0.47 -0.94 6.66 2.86 -0.35 -3.10 114.93 120.97 2jmx h MET 108 Ca -0.02 -0.37 0.05 0.00 -2.06 0.00 0.00 59.70 57.31 2jmx h MET 108 Cb 1.28 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.95 2jmx h MET 108 CO 0.13 0.99 0.62 1.98 1.06 0.00 0.00 176.91 181.69 2jmx h MET 109 N 0.32 1.09 -0.36 1.72 -1.53 -0.56 -0.31 114.93 115.31 2jmx h MET 109 Ca -0.03 -0.07 0.07 0.00 -3.44 0.00 0.00 59.70 56.24 2jmx h MET 109 Cb 1.28 -0.25 -0.02 0.00 -0.55 0.00 0.00 31.60 32.07 2jmx h MET 109 CO 0.13 0.72 0.25 0.77 0.14 0.00 0.00 176.91 178.91 2jmx h SER 110 N 1.12 0.15 0.99 1.39 0.02 -1.44 0.77 113.55 116.56 2jmx h SER 110 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2jmx h SER 110 Cb 0.12 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2jmx h SER 110 CO -0.14 0.10 0.00 0.52 -1.14 0.00 0.00 176.83 176.16 2jmx n VAL 111 N -4.47 0.03 0.08 2.27 0.31 -0.14 -2.79 118.33 113.62 2jmx n VAL 111 Ca 0.05 0.01 0.05 0.00 -0.01 0.00 0.00 64.34 64.43 2jmx n VAL 111 Cb 0.31 -0.51 -0.03 0.00 -0.91 0.00 0.00 33.84 32.70 2jmx n VAL 111 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 2jmx h HIS 112 N 0.00 0.00 0.05 3.52 -0.00 -0.69 -3.30 115.15 114.73 2jmx h HIS 112 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 60.02 2jmx h HIS 112 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.86 2jmx h HIS 112 CO 0.00 0.35 -2.04 -2.13 -0.00 0.00 0.00 177.93 174.11 2jmx n ARG 113 N -2.88 0.70 -0.00 5.12 0.63 -1.16 -4.22 116.66 114.85 2jmx n ARG 113 Ca -0.04 0.22 -0.01 0.00 -0.92 0.00 0.00 57.85 57.10 2jmx n ARG 113 Cb 0.72 -1.68 0.28 0.00 0.45 0.00 0.00 32.46 32.23 2jmx n ARG 113 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2jmx h GLY 114 N 2.33 0.57 -6.35 5.14 0.00 -1.69 -3.26 103.07 99.81 2jmx h GLY 114 Ca -0.43 -0.35 -0.69 0.00 0.00 0.00 0.00 47.33 45.87 2jmx h GLY 114 CO 0.05 0.32 -0.01 -2.21 0.00 0.00 0.00 176.54 174.69 2jmx n GLU 115 N -4.26 3.48 -3.56 4.80 2.13 -1.24 -4.98 120.64 117.00 2jmx n GLU 115 Ca 0.01 -4.66 -0.41 0.00 0.66 0.00 0.00 57.16 52.77 2jmx n GLU 115 Cb 0.26 -2.36 -0.07 0.00 0.27 0.00 0.00 31.44 29.54 2jmx n GLU 115 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jmx s VAL 116 N -2.92 4.42 0.03 6.31 1.01 -1.23 -4.91 120.40 123.11 2jmx s VAL 116 Ca 0.38 -2.63 -0.19 0.00 0.00 0.00 0.00 61.98 59.54 2jmx s VAL 116 Cb 0.13 -3.83 -0.18 0.00 0.00 0.00 0.00 36.38 32.50 2jmx s VAL 116 CO 0.01 -0.91 1.22 1.55 0.00 0.00 0.00 175.10 176.96 2jmx h PRO 117 N 7.49 0.47 -1.67 2.72 0.13 -1.93 -3.42 132.00 135.77 2jmx h PRO 117 Ca -0.00 -0.38 -0.32 0.00 -0.87 0.00 0.00 66.00 64.43 2jmx h PRO 117 Cb 1.00 0.08 -0.27 0.00 0.13 0.00 0.00 31.00 31.94 2jmx h PRO 117 CO 0.75 1.01 -0.67 0.00 -0.23 0.00 0.00 178.00 178.86 2jmx n THR 119 N 3.65 -0.67 -0.34 0.00 -1.04 -1.26 -5.14 114.28 109.48 2jmx n THR 119 Ca 0.17 -3.07 0.00 0.00 -2.04 0.00 0.00 64.05 59.11 2jmx n THR 119 Cb 0.50 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 2jmx n THR 119 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95