#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 2.45 0.01 3.13 0.00 -1.26 -5.13 121.76 120.96 2jmx s ALA 2 Ca 0.00 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.89 2jmx s ALA 2 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2jmx s ALA 2 CO 0.00 0.55 -0.24 0.15 0.00 0.00 0.00 175.76 176.22 2jmx s LYS 3 N -1.08 2.00 -0.06 0.00 -0.14 -1.26 -5.13 119.74 114.08 2jmx s LYS 3 Ca 0.12 -1.00 0.05 0.00 -1.36 0.00 0.00 55.97 53.79 2jmx s LYS 3 Cb -0.10 -2.06 -0.01 0.00 -1.68 0.00 0.00 37.83 33.98 2jmx s LYS 3 CO 0.02 0.54 -0.22 -0.51 -0.76 0.00 0.00 175.35 174.42 2jmx s LEU 4 N -0.99 2.01 -0.52 3.17 1.43 -1.26 -5.09 118.68 117.43 2jmx s LEU 4 Ca 0.11 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2jmx s LEU 4 Cb -0.10 -1.25 0.13 0.00 0.03 0.00 0.00 46.19 45.01 2jmx s LEU 4 CO 0.01 0.20 0.27 -0.69 0.23 0.00 0.00 176.35 176.37 2jmx s VAL 5 N 0.01 2.39 -0.41 -1.59 1.01 -1.26 -5.00 120.40 115.55 2jmx s VAL 5 Ca -0.07 -3.26 0.03 0.00 0.00 0.00 0.00 61.98 58.69 2jmx s VAL 5 Cb -0.14 -2.65 0.17 0.00 0.00 0.00 0.00 36.38 33.75 2jmx s VAL 5 CO 0.04 -0.84 0.35 -0.60 0.00 0.00 0.00 175.10 174.06 2jmx s ARG 6 N -0.27 0.83 0.54 2.72 3.52 -1.26 -5.13 118.95 119.90 2jmx s ARG 6 Ca 0.18 -1.77 -0.19 0.00 -0.13 0.00 0.00 55.73 53.82 2jmx s ARG 6 Cb -0.24 -1.21 -0.06 0.00 -1.56 0.00 0.00 34.95 31.88 2jmx s ARG 6 CO -0.01 -1.34 1.07 -1.25 -0.81 0.00 0.00 175.30 172.97 2jmx s PRO 7 N 0.43 3.49 0.05 5.12 0.04 -1.26 -4.98 135.00 137.90 2jmx s PRO 7 Ca 0.29 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 2jmx s PRO 7 Cb -0.03 -2.04 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 2jmx s PRO 7 CO -0.13 -0.70 1.26 -1.00 0.04 0.00 0.00 177.00 176.47 2jmx h PRO 8 N 1.11 0.56 -5.10 0.56 0.13 -2.06 -3.43 132.00 123.78 2jmx h PRO 8 Ca -0.49 -0.43 -0.67 0.00 -0.87 0.00 0.00 66.00 63.54 2jmx h PRO 8 Cb 1.23 0.08 -0.34 0.00 0.13 0.00 0.00 31.00 32.10 2jmx h PRO 8 CO 0.58 1.06 -0.85 0.08 -0.23 0.00 0.00 178.00 178.63 2jmx s VAL 9 N -3.76 2.14 0.02 1.56 1.01 -1.26 -5.12 120.40 114.99 2jmx s VAL 9 Ca -0.12 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 60.98 2jmx s VAL 9 Cb 0.06 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2jmx s VAL 9 CO 0.83 0.54 -0.14 -1.58 0.00 0.00 0.00 175.10 174.75 2jmx s GLN 10 N 1.17 1.00 0.03 2.72 0.74 -1.26 -5.01 119.66 119.04 2jmx s GLN 10 Ca 0.02 -0.66 0.00 0.00 0.05 0.00 0.00 55.36 54.76 2jmx s GLN 10 Cb -0.14 -0.99 0.00 0.00 1.10 0.00 0.00 33.01 32.98 2jmx s GLN 10 CO -0.09 0.25 0.00 -0.89 -0.55 0.00 0.00 175.29 174.01 2jmx n ILE 11 N 2.19-12.88 0.05 -2.34 -0.00 -1.26 -5.05 119.36 100.08 2jmx n ILE 11 Ca -0.17 3.06 0.00 0.00 -0.00 0.00 0.00 62.75 65.64 2jmx n ILE 11 Cb 0.55 -5.86 0.00 0.00 -0.00 0.00 0.00 39.64 34.33 2jmx n ILE 11 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 2jmx n TYR 12 N 1.87 -0.26 0.00 1.39 4.01 -1.26 -5.03 117.16 117.88 2jmx n TYR 12 Ca 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2jmx n TYR 12 Cb 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 2jmx n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jmx n GLY 13 N 3.26 -1.79 0.36 2.72 0.00 -1.26 -4.91 105.19 103.57 2jmx n GLY 13 Ca 0.00 0.81 0.04 0.00 0.00 0.00 0.00 46.02 46.87 2jmx n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jmx h ILE 14 N 0.00 0.99 -0.41 -0.61 1.08 -2.01 0.98 117.51 117.54 2jmx h ILE 14 Ca 0.00 -0.36 -0.07 0.00 -0.39 0.00 0.00 64.86 64.04 2jmx h ILE 14 Cb 0.00 -0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 33.60 2jmx h ILE 14 CO 0.00 0.19 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.26 2jmx h GLU 15 N 1.04 0.68 0.00 2.37 5.08 -1.94 0.78 114.58 122.60 2jmx h GLU 15 Ca 0.45 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2jmx h GLU 15 Cb 0.32 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2jmx h GLU 15 CO -0.22 0.74 -0.00 0.78 -1.00 0.00 0.00 179.01 179.31 2jmx h GLY 16 N 0.95 -0.00 2.00 -3.84 0.00 -1.29 -3.16 103.07 97.73 2jmx h GLY 16 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 2jmx h GLY 16 CO 0.02 -0.00 -0.01 3.21 0.00 0.00 0.00 176.54 179.76 2jmx h ARG 17 N -0.80 0.00 -0.98 4.80 3.08 0.10 -1.96 114.38 118.62 2jmx h ARG 17 Ca -0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2jmx h ARG 17 Cb 0.79 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.76 2jmx h ARG 17 CO 0.00 0.01 0.62 1.88 -1.07 0.00 0.00 179.97 181.41 2jmx h TYR 18 N 0.00 1.13 0.25 3.04 -1.99 0.62 1.26 116.97 121.29 2jmx h TYR 18 Ca -0.00 0.03 -0.34 0.00 2.00 0.00 0.00 58.73 60.42 2jmx h TYR 18 Cb 0.03 -0.36 0.04 0.00 2.00 0.00 0.00 36.73 38.43 2jmx h TYR 18 CO 0.00 0.52 -1.49 0.00 -0.00 0.00 0.00 178.16 177.19 2jmx h ALA 19 N 1.49 -0.15 0.00 3.88 0.00 -1.43 -3.06 119.26 119.99 2jmx h ALA 19 Ca 0.45 -0.87 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 2jmx h ALA 19 Cb 0.32 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2jmx h ALA 19 CO -0.22 0.72 -0.31 1.79 0.00 0.00 0.00 179.25 181.23 2jmx h THR 20 N 0.15 0.65 0.00 0.00 1.35 -1.01 0.18 112.91 114.23 2jmx h THR 20 Ca -0.26 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 2jmx h THR 20 Cb 2.17 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 70.55 2jmx h THR 20 CO 0.27 0.30 -0.15 0.00 -0.25 0.00 0.00 175.52 175.69 2jmx h ALA 21 N 1.69 0.92 0.01 6.62 0.00 0.15 -0.24 119.26 128.42 2jmx h ALA 21 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 2jmx h ALA 21 Cb 0.94 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2jmx h ALA 21 CO 0.04 0.00 -2.42 -0.11 0.00 0.00 0.00 179.25 176.76 2jmx n LEU 22 N -2.92 2.75 0.10 0.00 7.94 -1.12 -4.26 117.00 119.49 2jmx n LEU 22 Ca 0.04 -0.01 0.13 0.00 -1.11 0.00 0.00 56.01 55.05 2jmx n LEU 22 Cb 0.52 -0.92 0.42 0.00 0.53 0.00 0.00 43.42 43.97 2jmx n LEU 22 CO 0.34 0.86 0.89 0.00 -1.11 0.00 0.00 177.39 178.37 2jmx n TYR 23 N -3.47 0.88 -0.34 1.96 0.18 0.62 -3.52 117.16 113.46 2jmx n TYR 23 Ca -0.46 0.26 0.12 0.00 1.88 0.00 0.00 57.90 59.70 2jmx n TYR 23 Cb 0.97 -0.93 0.30 0.00 -0.38 0.00 0.00 39.34 39.31 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 0.75 -0.09 9.48 0.87 -1.20 1.24 113.55 124.61 2jmx h SER 24 Ca 0.00 0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.44 2jmx h SER 24 Cb 0.70 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.63 2jmx h SER 24 CO 0.00 0.28 -0.79 0.00 -0.53 0.00 0.00 176.83 175.79 2jmx h ALA 25 N 1.63 0.21 -1.00 6.23 0.00 -1.81 -3.14 119.26 121.38 2jmx h ALA 25 Ca 0.56 -0.61 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2jmx h ALA 25 Cb 0.83 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2jmx h ALA 25 CO -0.37 0.60 0.64 0.00 0.00 0.00 0.00 179.25 180.11 2jmx h ALA 26 N 0.47 1.41 -0.88 0.00 0.00 -0.27 -1.38 119.26 118.61 2jmx h ALA 26 Ca -0.07 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2jmx h ALA 26 Cb 1.43 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 2jmx h ALA 26 CO 0.16 0.39 0.53 0.66 0.00 0.00 0.00 179.25 180.99 2jmx h SER 27 N 1.13 0.80 -0.37 0.00 4.64 0.13 0.70 113.55 120.58 2jmx h SER 27 Ca 0.44 0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.67 2jmx h SER 27 Cb 0.24 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2jmx h SER 27 CO -0.19 0.47 -0.23 0.50 -0.87 0.00 0.00 176.83 176.50 2jmx h LYS 28 N 0.91 0.87 -0.03 4.77 1.63 -1.30 -2.67 116.57 120.75 2jmx h LYS 28 Ca 0.41 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2jmx h LYS 28 Cb 0.32 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2jmx h LYS 28 CO -0.22 1.01 0.00 0.94 -3.45 0.00 0.00 179.45 177.73 2jmx n GLN 29 N -4.10 1.40 -3.27 1.90 -0.06 -0.38 -4.92 117.38 107.93 2jmx n GLN 29 Ca -0.00 -0.58 -0.17 0.00 -2.00 0.00 0.00 57.00 54.25 2jmx n GLN 29 Cb 0.45 -1.45 0.06 0.00 -4.06 0.00 0.00 30.24 25.24 2jmx n GLN 29 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2jmx n ASN 30 N -0.27 -4.65 -1.02 1.69 5.15 0.22 -4.93 115.26 111.46 2jmx n ASN 30 Ca 0.19 -0.42 0.08 0.00 -0.60 0.00 0.00 54.58 53.84 2jmx n ASN 30 Cb 0.24 -3.91 0.26 0.00 -0.53 0.00 0.00 39.78 35.84 2jmx n ASN 30 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2jmx n LYS 31 N -3.77 3.20 -0.32 1.20 4.76 0.04 -4.65 118.16 118.62 2jmx n LYS 31 Ca -0.04 -2.64 0.20 0.00 -2.87 0.00 0.00 58.31 52.96 2jmx n LYS 31 Cb 0.56 -1.71 0.46 0.00 -1.84 0.00 0.00 35.03 32.50 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 0.54 -0.11 -0.35 -0.00 -1.92 0.53 115.31 116.45 2jmx h LEU 32 Ca 0.00 0.09 -0.20 0.00 -0.00 0.00 0.00 57.88 57.77 2jmx h LEU 32 Cb 1.27 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.94 2jmx h LEU 32 CO 0.18 0.13 -0.72 -0.08 -0.00 0.00 0.00 178.44 177.94 2jmx h GLU 33 N 0.49 0.68 0.00 1.13 4.57 -1.97 0.79 114.58 120.27 2jmx h GLU 33 Ca 0.59 -0.59 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2jmx h GLU 33 Cb 1.33 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.04 2jmx h GLU 33 CO -0.33 1.20 -0.21 1.96 -1.18 0.00 0.00 179.01 180.45 2jmx h GLN 34 N 0.35 0.00 0.01 1.92 4.20 -0.75 -0.41 115.11 120.44 2jmx h GLN 34 Ca -0.06 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.27 2jmx h GLN 34 Cb 1.37 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.08 2jmx h GLN 34 CO 0.15 0.21 -2.38 0.28 -0.67 0.00 0.00 178.83 176.42 2jmx n VAL 35 N -4.28 1.50 0.08 -0.54 0.31 0.14 -3.76 118.33 111.79 2jmx n VAL 35 Ca -0.02 -0.66 -0.07 0.00 -0.01 0.00 0.00 64.34 63.57 2jmx n VAL 35 Cb 0.27 -1.18 0.05 0.00 -0.91 0.00 0.00 33.84 32.07 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 0.01 0.21 0.04 5.55 4.81 0.60 -2.76 114.58 123.04 2jmx h GLU 36 Ca -0.55 -0.19 -0.24 0.00 -0.13 0.00 0.00 59.36 58.26 2jmx h GLU 36 Cb 2.01 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.44 2jmx h GLU 36 CO -0.03 0.86 -1.04 -0.22 -0.73 0.00 0.00 179.01 177.85 2jmx h LYS 37 N 0.14 0.37 -0.26 1.92 3.64 -1.21 -3.20 116.57 117.96 2jmx h LYS 37 Ca -0.03 -0.45 -0.17 0.00 -1.27 0.00 0.00 60.65 58.74 2jmx h LYS 37 Cb 1.31 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.27 2jmx h LYS 37 CO 0.11 1.14 -0.51 0.93 -2.27 0.00 0.00 179.45 178.85 2jmx h GLU 38 N 0.18 0.74 -0.90 1.90 4.39 -1.65 -3.00 114.58 116.24 2jmx h GLU 38 Ca -0.10 -0.44 0.09 0.00 0.34 0.00 0.00 59.36 59.25 2jmx h GLU 38 Cb 1.70 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 30.33 2jmx h GLU 38 CO 0.18 1.07 0.58 -0.07 -1.16 0.00 0.00 179.01 179.61 2jmx h LEU 39 N 0.57 0.83 -1.75 1.33 3.38 -1.54 0.04 115.31 118.17 2jmx h LEU 39 Ca 0.02 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2jmx h LEU 39 Cb 1.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2jmx h LEU 39 CO 0.11 0.50 0.28 0.25 0.09 0.00 0.00 178.44 179.67 2jmx h LEU 40 N 0.93 0.26 -0.28 1.67 5.85 -1.52 -2.17 115.31 120.05 2jmx h LEU 40 Ca 0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.13 2jmx h LEU 40 Cb 0.36 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2jmx h LEU 40 CO -0.17 0.17 0.18 0.03 -0.34 0.00 0.00 178.44 178.31 2jmx h ARG 41 N 0.30 0.37 -0.78 1.25 2.47 -1.04 0.68 114.38 117.63 2jmx h ARG 41 Ca 0.18 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.84 2jmx h ARG 41 Cb 0.35 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 2jmx h ARG 41 CO -0.04 0.26 0.32 0.28 0.56 0.00 0.00 179.97 181.35 2jmx h VAL 42 N 0.37 1.26 -0.26 2.04 2.07 -1.44 0.04 116.25 120.33 2jmx h VAL 42 Ca 0.10 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 2jmx h VAL 42 Cb -0.02 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2jmx h VAL 42 CO -0.02 0.33 -0.12 1.23 0.02 0.00 0.00 177.57 179.01 2jmx h GLY 43 N 1.13 0.59 1.27 2.17 0.00 -1.10 -2.58 103.07 104.55 2jmx h GLY 43 Ca 0.26 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.07 2jmx h GLY 43 CO -0.02 0.48 0.48 1.46 0.00 0.00 0.00 176.54 178.94 2jmx h GLN 44 N 0.28 0.95 0.43 4.80 4.20 0.68 -0.76 115.11 125.70 2jmx h GLN 44 Ca 0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2jmx h GLN 44 Cb 0.62 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2jmx h GLN 44 CO 0.04 0.63 -0.21 0.82 -0.67 0.00 0.00 178.83 179.44 2jmx h ILE 45 N 0.98 0.57 0.00 2.54 2.04 -0.80 -2.17 117.51 120.68 2jmx h ILE 45 Ca 0.27 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 2jmx h ILE 45 Cb -0.10 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2jmx h ILE 45 CO -0.06 0.03 -0.09 0.25 0.00 0.00 0.00 178.15 178.28 2jmx h LEU 46 N -0.67 0.00 -1.14 1.44 5.85 -1.17 -0.62 115.31 119.01 2jmx h LEU 46 Ca -0.06 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 2jmx h LEU 46 Cb 0.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2jmx h LEU 46 CO 0.10 0.09 -0.26 0.11 -0.34 0.00 0.00 178.44 178.14 2jmx h LYS 47 N 0.00 0.28 -6.90 1.25 1.57 -0.73 -3.40 116.57 108.64 2jmx h LYS 47 Ca -0.00 -0.10 -0.52 0.00 -1.87 0.00 0.00 60.65 58.16 2jmx h LYS 47 Cb 0.19 -0.02 0.06 0.00 0.08 0.00 0.00 32.23 32.53 2jmx h LYS 47 CO 0.01 0.53 0.58 -1.21 -0.57 0.00 0.00 179.45 178.79 2jmx s GLU 48 N -4.46 4.22 0.09 3.15 0.41 -0.24 -4.94 118.70 116.93 2jmx s GLU 48 Ca -0.05 2.06 -0.14 0.00 -0.41 0.00 0.00 54.97 56.43 2jmx s GLU 48 Cb 0.14 -2.91 -0.16 0.00 -1.78 0.00 0.00 34.13 29.42 2jmx s GLU 48 CO 0.76 -0.25 1.28 -1.00 -0.49 0.00 0.00 175.26 175.56 2jmx h PRO 49 N 3.07 0.75 -0.82 0.39 0.13 -1.84 -1.96 132.00 131.73 2jmx h PRO 49 Ca -0.49 -0.62 0.03 0.00 -0.87 0.00 0.00 66.00 64.06 2jmx h PRO 49 Cb 1.23 0.13 -0.05 0.00 0.13 0.00 0.00 31.00 32.45 2jmx h PRO 49 CO 0.64 1.23 0.54 -0.22 -0.23 0.00 0.00 178.00 179.96 2jmx h LYS 50 N 0.46 0.99 0.17 0.86 3.64 -1.92 -2.57 116.57 118.20 2jmx h LYS 50 Ca -0.05 -0.06 -0.30 0.00 -1.27 0.00 0.00 60.65 58.96 2jmx h LYS 50 Cb 1.38 -0.22 0.03 0.00 -0.41 0.00 0.00 32.23 33.00 2jmx h LYS 50 CO 0.15 0.65 -1.32 0.52 -2.27 0.00 0.00 179.45 177.18 2jmx h MET 51 N 1.02 0.49 -0.87 1.90 2.86 -1.78 -3.28 114.93 115.27 2jmx h MET 51 Ca 0.33 -0.76 0.13 0.00 -2.06 0.00 0.00 59.70 57.34 2jmx h MET 51 Cb 0.03 0.27 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 2jmx h MET 51 CO -0.10 1.35 0.56 0.00 1.06 0.00 0.00 176.91 179.78 2jmx h ALA 52 N 0.34 1.81 -0.24 6.32 0.00 -0.97 0.84 119.26 127.35 2jmx h ALA 52 Ca -0.20 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2jmx h ALA 52 Cb 2.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2jmx h ALA 52 CO 0.24 -0.02 0.22 0.00 0.00 0.00 0.00 179.25 179.69 2jmx h ALA 53 N 1.59 1.97 0.00 0.00 0.00 -1.53 0.54 119.26 121.84 2jmx h ALA 53 Ca 0.43 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.95 2jmx h ALA 53 Cb 0.64 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2jmx h ALA 53 CO -0.19 -0.34 -2.20 0.45 0.00 0.00 0.00 179.25 176.97 2jmx n SER 54 N -4.00 1.95 0.07 0.00 2.88 0.16 -3.56 113.62 111.12 2jmx n SER 54 Ca 0.03 0.35 0.06 0.00 -1.33 0.00 0.00 58.87 57.97 2jmx n SER 54 Cb 0.36 -0.82 0.49 0.00 -0.75 0.00 0.00 64.21 63.50 2jmx n SER 54 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2jmx h LEU 55 N -1.00 0.32 -3.61 2.46 3.38 -1.20 -1.71 115.31 113.95 2jmx h LEU 55 Ca -0.56 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.28 2jmx h LEU 55 Cb 1.49 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.09 2jmx h LEU 55 CO -0.34 0.23 0.13 -0.11 0.09 0.00 0.00 178.44 178.44 2jmx n LEU 56 N -4.49 5.66 -4.67 1.67 0.00 0.18 -4.94 117.00 110.40 2jmx n LEU 56 Ca 0.02 -3.12 -0.38 0.00 0.00 0.00 0.00 56.01 52.52 2jmx n LEU 56 Cb 0.09 -0.70 -0.07 0.00 0.00 0.00 0.00 43.42 42.73 2jmx n LEU 56 CO 0.35 0.75 0.13 0.21 0.00 0.00 0.00 177.39 178.83 2jmx s ASN 57 N -1.12 6.47 0.00 1.96 3.04 -0.65 -4.94 114.94 119.71 2jmx s ASN 57 Ca 0.53 0.55 0.19 0.00 0.04 0.00 0.00 52.86 54.17 2jmx s ASN 57 Cb 0.42 -2.25 0.83 0.00 -1.54 0.00 0.00 41.25 38.72 2jmx s ASN 57 CO 0.13 -0.10 1.59 -0.81 -3.04 0.00 0.00 177.10 174.87 2jmx n PRO 58 N 4.53 0.08 -0.03 0.43 -0.04 -1.26 -2.91 135.00 135.80 2jmx n PRO 58 Ca -0.08 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2jmx n PRO 58 Cb 0.51 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.99 2jmx n PRO 58 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jmx n TYR 59 N -1.44 0.09 -1.17 0.54 4.01 -1.26 -3.98 117.16 113.94 2jmx n TYR 59 Ca 0.06 -0.04 -0.11 0.00 -0.16 0.00 0.00 57.90 57.65 2jmx n TYR 59 Cb 0.20 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.47 2jmx n TYR 59 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2jmx n VAL 60 N -0.07 2.92 -1.83 -0.72 0.31 -1.15 -5.07 118.33 112.72 2jmx n VAL 60 Ca 0.18 -1.94 0.03 0.00 -0.01 0.00 0.00 64.34 62.60 2jmx n VAL 60 Cb 0.27 -0.38 -0.01 0.00 -0.91 0.00 0.00 33.84 32.81 2jmx n VAL 60 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2jmx n LYS 61 N -0.67 -0.50 -0.05 5.55 5.02 -1.26 -3.73 118.16 122.51 2jmx n LYS 61 Ca 0.45 0.33 -0.11 0.00 -2.02 0.00 0.00 58.31 56.96 2jmx n LYS 61 Cb 1.39 -0.61 -0.04 0.00 -0.02 0.00 0.00 35.03 35.75 2jmx n LYS 61 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2jmx n ARG 62 N -1.45 0.30 -0.33 1.97 0.00 -1.26 -4.32 116.66 111.56 2jmx n ARG 62 Ca 0.00 0.13 -0.01 0.00 -0.00 0.00 0.00 57.85 57.96 2jmx n ARG 62 Cb 0.11 -1.01 0.15 0.00 0.00 0.00 0.00 32.46 31.71 2jmx n ARG 62 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2jmx h SER 63 N -0.53 1.07 -0.87 6.15 0.02 -1.93 -2.02 113.55 115.43 2jmx h SER 63 Ca -0.20 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2jmx h SER 63 Cb 0.95 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 2jmx h SER 63 CO -0.12 0.78 0.57 0.58 -1.14 0.00 0.00 176.83 177.50 2jmx h VAL 64 N 1.27 1.23 -0.91 2.27 2.07 -1.83 -2.06 116.25 118.30 2jmx h VAL 64 Ca 0.34 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.52 2jmx h VAL 64 Cb -0.15 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 29.51 2jmx h VAL 64 CO -0.07 0.22 0.59 0.50 0.02 0.00 0.00 177.57 178.82 2jmx h LYS 65 N 1.19 0.93 -0.40 1.57 1.63 -1.45 -1.37 116.57 118.67 2jmx h LYS 65 Ca 0.32 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 2jmx h LYS 65 Cb -0.12 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.28 2jmx h LYS 65 CO -0.07 0.62 0.14 0.28 -3.45 0.00 0.00 179.45 176.97 2jmx h VAL 66 N 0.96 1.21 -0.85 2.00 2.07 -1.34 -2.45 116.25 117.86 2jmx h VAL 66 Ca 0.41 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2jmx h VAL 66 Cb 0.31 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2jmx h VAL 66 CO -0.17 0.23 0.48 0.50 0.02 0.00 0.00 177.57 178.63 2jmx h LYS 67 N 0.49 1.17 -0.86 1.57 3.64 -1.21 -2.26 116.57 119.10 2jmx h LYS 67 Ca 0.13 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2jmx h LYS 67 Cb 0.22 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 2jmx h LYS 67 CO -0.01 0.85 0.57 1.03 -2.27 0.00 0.00 179.45 179.62 2jmx h SER 68 N 1.17 0.93 -0.98 4.20 0.87 -0.98 -1.99 113.55 116.78 2jmx h SER 68 Ca 0.30 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.90 2jmx h SER 68 Cb 0.01 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 61.69 2jmx h SER 68 CO -0.05 0.64 0.63 -0.07 -0.53 0.00 0.00 176.83 177.46 2jmx h LEU 69 N 1.08 1.04 -0.92 2.23 3.38 -0.94 -1.79 115.31 119.40 2jmx h LEU 69 Ca 0.34 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.34 2jmx h LEU 69 Cb 0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 2jmx h LEU 69 CO -0.10 0.69 0.60 -1.28 0.09 0.00 0.00 178.44 178.43 2jmx h SER 70 N 1.19 0.99 0.73 -0.43 0.87 -1.30 0.37 113.55 115.98 2jmx h SER 70 Ca 0.40 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2jmx h SER 70 Cb 0.08 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2jmx h SER 70 CO -0.15 0.68 0.00 0.44 -0.53 0.00 0.00 176.83 177.28 2jmx h ASP 71 N 1.16 0.00 0.06 6.23 5.19 -1.27 -1.14 116.42 126.66 2jmx h ASP 71 Ca 0.36 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.50 2jmx h ASP 71 Cb -0.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 2jmx h ASP 71 CO -0.12 0.00 -1.44 -0.03 -3.12 0.00 0.00 179.24 174.54 2jmx h MET 72 N 0.00 0.14 -0.78 3.56 4.05 -0.86 -3.32 114.93 117.71 2jmx h MET 72 Ca 0.00 -0.23 0.09 0.00 -0.28 0.00 0.00 59.70 59.27 2jmx h MET 72 Cb 0.37 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.20 2jmx h MET 72 CO 0.00 1.11 0.51 1.15 0.23 0.00 0.00 176.91 179.91 2jmx h THR 73 N -0.53 0.98 -0.96 -0.77 2.02 -0.85 0.87 112.91 113.67 2jmx h THR 73 Ca -0.34 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 66.63 2jmx h THR 73 Cb 1.61 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.11 2jmx h THR 73 CO -0.05 0.14 0.63 0.00 0.37 0.00 0.00 175.52 176.60 2jmx h ALA 74 N 1.60 1.41 0.05 6.16 0.00 -1.32 -2.09 119.26 125.05 2jmx h ALA 74 Ca 0.35 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.90 2jmx h ALA 74 Cb 0.38 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2jmx h ALA 74 CO -0.13 0.48 -1.87 1.63 0.00 0.00 0.00 179.25 179.36 2jmx n LYS 75 N -4.46 0.69 0.32 0.00 5.02 -0.42 -4.02 118.16 115.29 2jmx n LYS 75 Ca 0.13 0.27 0.21 0.00 -2.02 0.00 0.00 58.31 56.90 2jmx n LYS 75 Cb 0.13 -1.74 1.11 0.00 -0.02 0.00 0.00 35.03 34.51 2jmx n LYS 75 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2jmx h GLU 76 N 0.03 0.00 -5.48 1.97 4.39 0.91 -3.46 114.58 112.94 2jmx h GLU 76 Ca -0.36 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.02 2jmx h GLU 76 Cb 2.03 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 30.84 2jmx h GLU 76 CO 0.08 0.01 -0.71 1.17 -1.16 0.00 0.00 179.01 178.39 2jmx n LYS 77 N -3.21 -6.52 -0.16 2.33 4.81 -0.80 -4.98 118.16 109.63 2jmx n LYS 77 Ca -0.03 0.80 -0.10 0.00 -0.87 0.00 0.00 58.31 58.11 2jmx n LYS 77 Cb 0.10 -5.70 0.10 0.00 0.02 0.00 0.00 35.03 29.55 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 -4.13 -2.25 -3.52 5.64 3.72 -1.25 -5.04 117.46 110.63 2jmx n PHE 78 Ca -0.22 -0.20 -0.03 0.00 -0.05 0.00 0.00 57.45 56.95 2jmx n PHE 78 Cb 0.64 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 -2.87 1.16 0.00 4.37 7.64 -1.26 -4.99 113.62 117.66 2jmx n SER 79 Ca 0.05 -1.23 0.10 0.00 1.01 0.00 0.00 58.87 58.80 2jmx n SER 79 Cb 0.20 -0.01 0.48 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.68 0.11 -0.61 1.43 -0.04 -1.26 -2.95 135.00 131.00 2jmx n PRO 80 Ca -0.00 0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.61 2jmx n PRO 80 Cb 0.08 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.42 3.32 -1.22 1.53 4.77 -1.26 -4.65 117.00 118.07 2jmx n LEU 81 Ca 0.07 -3.69 0.02 0.00 -0.03 0.00 0.00 56.01 52.38 2jmx n LEU 81 Cb 0.22 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2jmx n LEU 81 CO 0.18 1.21 0.13 0.41 -1.33 0.00 0.00 177.39 177.99 2jmx n THR 82 N -1.12 0.00 -2.72 -5.08 -1.04 -1.15 -4.78 114.28 98.40 2jmx n THR 82 Ca 0.24 -0.68 -0.20 0.00 -2.04 0.00 0.00 64.05 61.37 2jmx n THR 82 Cb 0.84 0.83 -0.00 0.00 -1.82 0.00 0.00 70.33 70.18 2jmx n THR 82 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jmx n SER 83 N 0.34 3.03 0.05 8.00 7.64 -1.26 -4.50 113.62 126.92 2jmx n SER 83 Ca 0.02 -3.28 0.00 0.00 1.01 0.00 0.00 58.87 56.62 2jmx n SER 83 Cb 1.00 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2jmx n SER 83 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jmx n ASN 84 N -0.19 -0.98 0.13 6.43 4.13 -1.26 -4.89 115.26 118.62 2jmx n ASN 84 Ca 0.26 0.32 0.15 0.00 1.68 0.00 0.00 54.58 56.99 2jmx n ASN 84 Cb 0.67 1.15 0.68 0.00 -1.54 0.00 0.00 39.78 40.74 2jmx n ASN 84 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2jmx h LEU 85 N 0.00 0.00 -0.85 3.41 5.85 -1.86 -0.53 115.31 121.33 2jmx h LEU 85 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 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 0.46 0.40 -0.34 0.00 0.00 178.44 178.96 2jmx h ILE 86 N 0.00 1.25 0.30 4.05 2.04 -1.90 -1.47 117.51 121.77 2jmx h ILE 86 Ca 0.13 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2jmx h ILE 86 Cb 0.54 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2jmx h ILE 86 CO -0.00 0.28 -0.24 0.78 0.00 0.00 0.00 178.15 178.97 2jmx h ASN 87 N 1.19 -0.62 -0.93 1.72 4.21 -1.46 -1.77 115.58 117.93 2jmx h ASN 87 Ca 0.30 0.05 0.16 0.00 1.21 0.00 0.00 56.30 58.02 2jmx h ASN 87 Cb 0.04 0.20 -0.10 0.00 -1.12 0.00 0.00 38.32 37.34 2jmx h ASN 87 CO -0.05 -0.36 0.52 -0.07 -1.29 0.00 0.00 177.43 176.18 2jmx h LEU 88 N -0.54 0.66 -1.09 1.61 3.38 -1.42 0.50 115.31 118.40 2jmx h LEU 88 Ca -0.02 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2jmx h LEU 88 Cb 0.48 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2jmx h LEU 88 CO -0.02 0.26 0.61 -0.07 0.09 0.00 0.00 178.44 179.32 2jmx h LEU 89 N 0.70 1.01 -3.54 1.67 3.38 -0.49 -2.17 115.31 115.87 2jmx h LEU 89 Ca 0.52 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 58.20 2jmx h LEU 89 Cb 0.75 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.11 2jmx h LEU 89 CO -0.37 0.68 0.13 0.00 0.09 0.00 0.00 178.44 178.98 2jmx n ALA 90 N -2.39 4.68 -0.08 1.53 0.00 0.46 0.11 120.51 124.82 2jmx n ALA 90 Ca 0.13 -3.05 -0.16 0.00 0.00 0.00 0.00 53.44 50.35 2jmx n ALA 90 Cb 0.12 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.10 0.34 -1.02 0.00 4.07 0.15 -4.65 120.64 118.42 2jmx n GLU 91 Ca 0.41 0.14 -0.09 0.00 -0.06 0.00 0.00 57.16 57.56 2jmx n GLU 91 Cb 1.22 -1.08 0.17 0.00 -0.06 0.00 0.00 31.44 31.68 2jmx n GLU 91 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2jmx n ASN 92 N -3.63 3.12 -1.49 4.31 3.02 -1.23 -4.92 115.26 114.44 2jmx n ASN 92 Ca -0.31 -3.80 -0.05 0.00 -0.03 0.00 0.00 54.58 50.39 2jmx n ASN 92 Cb 0.73 -0.61 0.02 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.05 0.37 0.10 7.41 0.00 -1.26 -4.98 105.19 105.78 2jmx n GLY 93 Ca 0.36 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2jmx n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmx n ARG 94 N -1.74 0.67 -0.13 1.61 5.12 -0.66 -4.96 116.66 116.58 2jmx n ARG 94 Ca -0.04 0.14 -0.15 0.00 -1.93 0.00 0.00 57.85 55.86 2jmx n ARG 94 Cb 0.53 -1.62 0.15 0.00 -1.16 0.00 0.00 32.46 30.36 2jmx n ARG 94 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jmx n LEU 95 N -2.98 0.00 0.00 0.55 4.77 0.31 -3.78 117.00 115.86 2jmx n LEU 95 Ca -0.30 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 2jmx n LEU 95 Cb 1.09 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2jmx n LEU 95 CO 0.41 -2.18 0.00 0.41 -1.33 0.00 0.00 177.39 174.70 2jmx n THR 96 N -4.40 0.00 -1.28 -5.08 -1.04 -1.26 -4.46 114.28 96.76 2jmx n THR 96 Ca 0.07 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.85 2jmx n THR 96 Cb 0.30 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.98 2jmx n THR 96 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2jmx n ASN 97 N 3.22 4.01 -0.24 8.00 3.02 -1.25 -4.73 115.26 127.31 2jmx n ASN 97 Ca 0.00 -3.66 0.02 0.00 -0.03 0.00 0.00 54.58 50.91 2jmx n ASN 97 Cb 0.00 -0.82 0.10 0.00 -0.61 0.00 0.00 39.78 38.45 2jmx n ASN 97 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2jmx h THR 98 N 1.02 0.34 -0.23 3.41 2.02 -1.78 0.13 112.91 117.81 2jmx h THR 98 Ca 0.57 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.71 2jmx h THR 98 Cb 2.46 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2jmx h THR 98 CO 1.06 0.01 -0.02 1.55 0.37 0.00 0.00 175.52 178.48 2jmx h PRO 99 N 0.04 0.34 -0.36 6.66 0.13 -1.93 0.44 132.00 137.32 2jmx h PRO 99 Ca 0.35 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 65.31 2jmx h PRO 99 Cb 0.56 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 2jmx h PRO 99 CO -0.67 0.39 -0.19 0.00 -0.23 0.00 0.00 178.00 177.30 2jmx h ALA 100 N 1.66 0.51 -0.11 -0.56 0.00 -1.16 0.83 119.26 120.43 2jmx h ALA 100 Ca 0.07 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 2jmx h ALA 100 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jmx h ALA 100 CO 0.01 0.45 -0.74 0.28 0.00 0.00 0.00 179.25 179.25 2jmx h VAL 101 N 0.55 1.34 0.00 0.00 2.07 -0.84 -3.20 116.25 116.17 2jmx h VAL 101 Ca 0.08 -2.06 -0.18 0.00 0.82 0.00 0.00 66.70 65.35 2jmx h VAL 101 Cb 0.73 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 2jmx h VAL 101 CO 0.06 0.63 -0.87 0.40 0.02 0.00 0.00 177.57 177.81 2jmx h ILE 102 N 0.38 1.60 -0.90 4.57 2.04 -0.03 -3.26 117.51 121.92 2jmx h ILE 102 Ca -0.04 -2.89 0.11 0.00 1.00 0.00 0.00 64.86 63.04 2jmx h ILE 102 Cb 1.34 2.57 -0.08 0.00 -0.74 0.00 0.00 36.82 39.91 2jmx h ILE 102 CO 0.14 0.83 0.53 0.28 0.00 0.00 0.00 178.15 179.93 2jmx h SER 103 N 0.02 0.75 -0.45 1.72 0.02 0.69 0.14 113.55 116.43 2jmx h SER 103 Ca -0.02 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2jmx h SER 103 Cb 1.52 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 2jmx h SER 103 CO 0.12 0.40 0.30 0.00 -1.14 0.00 0.00 176.83 176.51 2jmx h ALA 104 N 1.50 1.80 -0.72 3.77 0.00 -1.62 -2.02 119.26 121.97 2jmx h ALA 104 Ca 0.45 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.41 2jmx h ALA 104 Cb 0.46 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2jmx h ALA 104 CO -0.27 0.15 0.40 0.35 0.00 0.00 0.00 179.25 179.88 2jmx h PHE 105 N 0.50 0.73 -0.63 0.00 3.04 -0.85 0.44 116.94 120.18 2jmx h PHE 105 Ca 0.18 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.09 2jmx h PHE 105 Cb 0.10 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 2jmx h PHE 105 CO -0.00 0.33 0.14 1.03 -2.02 0.00 0.00 178.31 177.79 2jmx h SER 106 N 0.72 0.97 -0.04 0.41 0.87 -1.33 0.26 113.55 115.41 2jmx h SER 106 Ca 0.33 -0.24 -0.17 0.00 -1.23 0.00 0.00 61.79 60.48 2jmx h SER 106 Cb 0.24 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2jmx h SER 106 CO -0.21 0.96 -0.56 0.74 -0.53 0.00 0.00 176.83 177.24 2jmx h THR 107 N 0.93 1.31 -0.18 2.23 2.02 -1.20 -2.90 112.91 115.12 2jmx h THR 107 Ca 0.20 -1.79 -0.16 0.00 0.77 0.00 0.00 66.41 65.42 2jmx h THR 107 Cb 0.38 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2jmx h THR 107 CO 0.01 0.56 -0.57 0.24 0.37 0.00 0.00 175.52 176.13 2jmx h MET 108 N 0.48 0.56 -0.92 6.66 2.07 0.08 -3.03 114.93 120.83 2jmx h MET 108 Ca 0.01 -0.36 0.04 0.00 -2.07 0.00 0.00 59.70 57.31 2jmx h MET 108 Cb 1.12 0.05 -0.05 0.00 -1.87 0.00 0.00 31.60 30.84 2jmx h MET 108 CO 0.11 0.97 0.60 1.98 1.07 0.00 0.00 176.91 181.65 2jmx h MET 109 N 0.43 1.12 -0.60 1.72 -1.53 -0.39 -1.10 114.93 114.58 2jmx h MET 109 Ca 0.00 -0.07 0.15 0.00 -3.44 0.00 0.00 59.70 56.35 2jmx h MET 109 Cb 1.11 -0.25 -0.03 0.00 -0.55 0.00 0.00 31.60 31.88 2jmx h MET 109 CO 0.11 0.74 0.42 0.77 0.14 0.00 0.00 176.91 179.09 2jmx h SER 110 N 1.15 0.11 1.17 1.39 0.02 -1.38 0.22 113.55 116.23 2jmx h SER 110 Ca 0.36 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2jmx h SER 110 Cb 0.01 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jmx h SER 110 CO -0.11 0.06 0.00 0.52 -1.14 0.00 0.00 176.83 176.16 2jmx n VAL 111 N -4.40 0.38 0.10 2.27 0.31 -0.42 -2.89 118.33 113.68 2jmx n VAL 111 Ca 0.11 -0.10 0.07 0.00 -0.01 0.00 0.00 64.34 64.41 2jmx n VAL 111 Cb 0.59 -0.61 -0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 0.00 3.52 -0.00 -0.54 -3.37 115.15 114.76 2jmx h HIS 112 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 2jmx h HIS 112 Cb 0.59 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.94 2jmx h HIS 112 CO 0.00 0.25 -2.00 -2.13 -0.00 0.00 0.00 177.93 174.05 2jmx n ARG 113 N -2.87 0.66 -0.19 5.12 0.63 -1.16 -4.24 116.66 114.61 2jmx n ARG 113 Ca -0.02 0.15 0.21 0.00 -0.92 0.00 0.00 57.85 57.27 2jmx n ARG 113 Cb 0.66 -1.67 0.57 0.00 0.45 0.00 0.00 32.46 32.48 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 3.74 0.58 -6.12 5.14 0.00 -1.69 -2.51 103.07 102.20 2jmx h GLY 114 Ca -0.39 -0.13 -0.80 0.00 0.00 0.00 0.00 47.33 46.01 2jmx h GLY 114 CO 0.06 0.01 1.25 1.18 0.00 0.00 0.00 176.54 179.03 2jmx n GLU 115 N -4.44 5.26 -3.77 4.80 -0.58 -1.26 -4.89 120.64 115.76 2jmx n GLU 115 Ca 0.17 -4.45 -0.30 0.00 -0.42 0.00 0.00 57.16 52.17 2jmx n GLU 115 Cb 0.72 -2.49 -0.15 0.00 -0.57 0.00 0.00 31.44 28.94 2jmx n GLU 115 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2jmx s VAL 116 N -3.86 0.94 0.69 2.62 1.01 -0.95 -5.09 120.40 115.76 2jmx s VAL 116 Ca 0.42 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 2jmx s VAL 116 Cb 0.20 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2jmx s VAL 116 CO -0.13 -0.53 1.09 -2.16 0.00 0.00 0.00 175.10 173.36 2jmx s PRO 117 N 1.61 2.71 0.21 2.72 0.04 -1.26 -5.06 135.00 135.97 2jmx s PRO 117 Ca 0.06 1.22 0.10 0.00 0.04 0.00 0.00 61.00 62.43 2jmx s PRO 117 Cb -0.17 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2jmx s PRO 117 CO -0.20 -1.29 -0.15 0.00 0.04 0.00 0.00 177.00 175.39 2jmx n THR 119 N -0.09 0.00 -0.35 0.00 -1.04 -1.26 -5.35 114.28 106.18 2jmx n THR 119 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2jmx n THR 119 Cb 0.57 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 2jmx n THR 119 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95