#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmx n ALA 2 N 0.00 4.29 -3.09 3.13 0.00 -1.26 -5.07 120.51 118.51 2jmx n ALA 2 Ca 0.00 -3.79 -0.11 0.00 0.00 0.00 0.00 53.44 49.54 2jmx n ALA 2 Cb 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 2jmx n ALA 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jmx s LYS 3 N -3.34 0.51 0.25 0.00 -0.14 -1.26 -5.17 119.74 110.59 2jmx s LYS 3 Ca 0.38 -0.41 0.10 0.00 -1.36 0.00 0.00 55.97 54.69 2jmx s LYS 3 Cb 0.42 0.21 -0.05 0.00 -1.68 0.00 0.00 37.83 36.74 2jmx s LYS 3 CO -0.08 -0.12 -0.11 -0.51 -0.76 0.00 0.00 175.35 173.76 2jmx s LEU 4 N -1.44 2.87 -0.30 3.17 1.43 -1.26 -5.12 118.68 118.03 2jmx s LEU 4 Ca -0.14 -0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 52.15 2jmx s LEU 4 Cb -0.07 -1.43 0.10 0.00 0.03 0.00 0.00 46.19 44.81 2jmx s LEU 4 CO 0.01 0.04 0.09 -0.69 0.23 0.00 0.00 176.35 176.04 2jmx s VAL 5 N -2.23 0.73 0.03 -1.59 1.01 -1.26 -5.12 120.40 111.97 2jmx s VAL 5 Ca 0.29 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2jmx s VAL 5 Cb -0.06 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2jmx s VAL 5 CO 0.16 -0.64 -0.06 0.00 0.00 0.00 0.00 175.10 174.57 2jmx s ARG 6 N 1.70 0.43 0.95 2.72 1.70 -1.26 -5.15 118.95 120.03 2jmx s ARG 6 Ca 0.09 -0.66 -0.12 0.00 -0.47 0.00 0.00 55.73 54.57 2jmx s ARG 6 Cb -0.17 -0.14 0.16 0.00 -0.57 0.00 0.00 34.95 34.23 2jmx s ARG 6 CO -0.25 0.01 1.12 -1.25 -1.08 0.00 0.00 175.30 173.85 2jmx s PRO 7 N -1.42 0.82 1.09 3.89 0.04 -1.26 -5.04 135.00 133.11 2jmx s PRO 7 Ca -0.11 0.40 -0.16 0.00 0.04 0.00 0.00 61.00 61.16 2jmx s PRO 7 Cb -0.09 -1.79 0.23 0.00 0.04 0.00 0.00 34.50 32.89 2jmx s PRO 7 CO -0.00 -2.44 1.15 -1.25 0.04 0.00 0.00 177.00 174.50 2jmx s PRO 8 N -5.13 -0.30 0.33 0.56 0.04 -1.26 -5.03 135.00 124.21 2jmx s PRO 8 Ca 0.64 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2jmx s PRO 8 Cb -0.17 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2jmx s PRO 8 CO 0.55 -3.11 0.00 0.28 0.04 0.00 0.00 177.00 174.76 2jmx n VAL 9 N -4.35 0.00 0.17 -0.36 0.31 -1.26 -5.07 118.33 107.76 2jmx n VAL 9 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2jmx n VAL 9 Cb 0.59 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 2jmx n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jmx n GLN 10 N -3.48 0.00 -0.00 5.55 6.02 -1.26 -4.99 117.38 119.21 2jmx n GLN 10 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 2jmx n GLN 10 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 2jmx n GLN 10 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2jmx n ILE 11 N -3.47 0.00 -3.19 5.09 0.13 -1.26 -5.08 119.36 111.58 2jmx n ILE 11 Ca 0.00 -0.22 -0.16 0.00 -1.10 0.00 0.00 62.75 61.27 2jmx n ILE 11 Cb 0.00 0.61 0.02 0.00 -0.84 0.00 0.00 39.64 39.42 2jmx n ILE 11 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2jmx n TYR 12 N -1.49 -2.18 -0.19 9.51 4.11 -1.26 -4.21 117.16 121.44 2jmx n TYR 12 Ca -0.00 0.92 -0.05 0.00 -0.00 0.00 0.00 57.90 58.77 2jmx n TYR 12 Cb 0.13 -2.25 0.05 0.00 -0.00 0.00 0.00 39.34 37.27 2jmx n TYR 12 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 2jmx h GLY 13 N 2.69 0.80 0.98 -7.48 0.00 -1.98 0.60 103.07 98.69 2jmx h GLY 13 Ca -0.22 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 46.87 2jmx h GLY 13 CO 0.13 0.23 0.59 1.19 0.00 0.00 0.00 176.54 178.68 2jmx h ILE 14 N 0.69 1.21 0.04 2.60 -0.00 -1.99 0.85 117.51 120.91 2jmx h ILE 14 Ca 0.22 -0.41 -0.25 0.00 -0.00 0.00 0.00 64.86 64.43 2jmx h ILE 14 Cb 0.00 -0.08 0.02 0.00 -0.00 0.00 0.00 36.82 36.77 2jmx h ILE 14 CO -0.09 0.22 -1.00 -0.08 -0.00 0.00 0.00 178.15 177.20 2jmx h GLU 15 N 1.18 0.61 -0.47 2.19 4.57 -1.77 -3.17 114.58 117.72 2jmx h GLU 15 Ca 0.33 -0.71 -0.03 0.00 -1.18 0.00 0.00 59.36 57.77 2jmx h GLU 15 Cb -0.11 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2jmx h GLU 15 CO -0.08 1.29 0.16 0.78 -1.18 0.00 0.00 179.01 179.98 2jmx h GLY 16 N 0.23 0.74 1.62 1.92 0.00 0.58 -1.85 103.07 106.31 2jmx h GLY 16 Ca -0.14 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 46.85 2jmx h GLY 16 CO 0.19 0.36 0.15 -0.09 0.00 0.00 0.00 176.54 177.16 2jmx h ARG 17 N 0.68 0.00 -0.99 4.80 2.43 0.75 -1.59 114.38 120.46 2jmx h ARG 17 Ca 0.16 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2jmx h ARG 17 Cb 0.19 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 2jmx h ARG 17 CO -0.01 0.00 0.64 1.88 -1.51 0.00 0.00 179.97 180.97 2jmx h TYR 18 N 0.00 1.20 0.14 2.20 -1.99 -1.39 1.24 116.97 118.37 2jmx h TYR 18 Ca 0.07 0.03 -0.31 0.00 2.00 0.00 0.00 58.73 60.52 2jmx h TYR 18 Cb 0.37 -0.40 0.03 0.00 2.00 0.00 0.00 36.73 38.73 2jmx h TYR 18 CO 0.00 0.67 -1.28 0.00 -0.00 0.00 0.00 178.16 177.55 2jmx h ALA 19 N 1.44 -0.02 0.00 3.88 0.00 -1.45 -2.86 119.26 120.24 2jmx h ALA 19 Ca 0.40 -0.79 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 2jmx h ALA 19 Cb 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jmx h ALA 19 CO -0.14 0.70 -0.55 1.79 0.00 0.00 0.00 179.25 181.05 2jmx h THR 20 N 0.26 1.13 0.00 0.00 1.35 -1.17 0.15 112.91 114.64 2jmx h THR 20 Ca -0.20 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 2jmx h THR 20 Cb 1.95 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 70.58 2jmx h THR 20 CO 0.24 0.54 0.00 0.00 -0.25 0.00 0.00 175.52 176.05 2jmx h ALA 21 N 1.45 1.00 0.02 6.62 0.00 0.15 0.68 119.26 129.18 2jmx h ALA 21 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 2jmx h ALA 21 Cb 1.16 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2jmx h ALA 21 CO 0.07 0.00 -2.38 -0.11 0.00 0.00 0.00 179.25 176.83 2jmx n LEU 22 N -2.92 2.64 0.15 0.00 7.94 -1.08 -4.22 117.00 119.52 2jmx n LEU 22 Ca 0.04 0.04 0.13 0.00 -1.11 0.00 0.00 56.01 55.12 2jmx n LEU 22 Cb 0.50 -0.92 0.40 0.00 0.53 0.00 0.00 43.42 43.93 2jmx n LEU 22 CO 0.33 0.81 0.87 0.10 -1.11 0.00 0.00 177.39 178.40 2jmx h TYR 23 N -0.28 0.00 -0.99 1.96 -0.00 -0.81 -3.19 116.97 113.66 2jmx h TYR 23 Ca -0.58 0.00 0.21 0.00 0.00 0.00 0.00 58.73 58.36 2jmx h TYR 23 Cb 1.82 0.00 -0.10 0.00 0.00 0.00 0.00 36.73 38.45 2jmx h TYR 23 CO 0.01 0.00 0.62 0.66 -0.00 0.00 0.00 178.16 179.45 2jmx h SER 24 N 0.00 0.63 0.00 0.10 4.64 -1.02 1.29 113.55 119.20 2jmx h SER 24 Ca 0.00 0.08 -0.27 0.00 -0.47 0.00 0.00 61.79 61.14 2jmx h SER 24 Cb 0.71 -0.03 0.02 0.00 -0.31 0.00 0.00 62.40 62.79 2jmx h SER 24 CO 0.00 0.21 -1.04 0.00 -0.87 0.00 0.00 176.83 175.13 2jmx h ALA 25 N 1.64 0.14 -0.81 5.18 0.00 -1.79 -3.16 119.26 120.45 2jmx h ALA 25 Ca 0.56 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2jmx h ALA 25 Cb 1.10 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2jmx h ALA 25 CO -0.32 0.69 0.53 0.00 0.00 0.00 0.00 179.25 180.15 2jmx h ALA 26 N 0.41 1.46 -0.92 0.00 0.00 0.07 -1.98 119.26 118.30 2jmx h ALA 26 Ca -0.13 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.82 2jmx h ALA 26 Cb 1.69 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2jmx h ALA 26 CO 0.20 0.48 0.57 1.03 0.00 0.00 0.00 179.25 181.54 2jmx h SER 27 N 1.05 0.86 -0.68 0.00 0.87 0.14 0.93 113.55 116.72 2jmx h SER 27 Ca 0.31 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.85 2jmx h SER 27 Cb -0.06 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 2jmx h SER 27 CO -0.08 0.51 0.25 0.50 -0.53 0.00 0.00 176.83 177.48 2jmx h LYS 28 N 0.97 1.06 -0.01 2.24 3.64 -1.40 -2.42 116.57 120.65 2jmx h LYS 28 Ca 0.43 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2jmx h LYS 28 Cb 0.31 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2jmx h LYS 28 CO -0.22 0.88 -0.16 1.04 -2.27 0.00 0.00 179.45 178.72 2jmx n GLN 29 N -4.28 1.16 -3.06 1.90 6.02 -0.27 -4.95 117.38 113.90 2jmx n GLN 29 Ca 0.06 -0.69 -0.13 0.00 -0.01 0.00 0.00 57.00 56.23 2jmx n GLN 29 Cb 0.20 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.02 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 -0.32 -4.01 -0.99 1.08 5.15 0.31 -4.94 115.26 111.52 2jmx n ASN 30 Ca 0.15 -0.32 0.08 0.00 -0.60 0.00 0.00 54.58 53.89 2jmx n ASN 30 Cb 0.36 -3.10 0.24 0.00 -0.53 0.00 0.00 39.78 36.75 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 -3.02 3.00 -0.29 1.20 4.76 -0.15 -4.61 118.16 119.05 2jmx n LYS 31 Ca -0.03 -2.43 0.26 0.00 -2.87 0.00 0.00 58.31 53.24 2jmx n LYS 31 Cb 0.55 -1.51 0.59 0.00 -1.84 0.00 0.00 35.03 32.81 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 2.85 0.28 -0.35 -0.35 3.38 -1.91 0.47 115.31 119.68 2jmx h LEU 32 Ca 0.00 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2jmx h LEU 32 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2jmx h LEU 32 CO 0.07 0.07 -0.14 -0.08 0.09 0.00 0.00 178.44 178.45 2jmx h GLU 33 N 0.26 0.72 0.00 1.13 4.81 -1.97 1.06 114.58 120.58 2jmx h GLU 33 Ca 0.55 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2jmx h GLU 33 Cb 1.65 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 2jmx h GLU 33 CO -0.18 0.90 -0.09 1.96 -0.73 0.00 0.00 179.01 180.87 2jmx h GLN 34 N 0.50 0.00 0.00 1.92 1.08 -0.45 -2.45 115.11 115.71 2jmx h GLN 34 Ca 0.08 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.95 2jmx h GLN 34 Cb 0.67 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.04 2jmx h GLN 34 CO 0.05 0.09 -2.24 0.28 -0.95 0.00 0.00 178.83 176.06 2jmx n VAL 35 N -3.54 1.25 0.14 -0.54 0.31 -0.35 -3.97 118.33 111.64 2jmx n VAL 35 Ca -0.02 -0.59 -0.01 0.00 -0.01 0.00 0.00 64.34 63.72 2jmx n VAL 35 Cb 0.23 -1.00 0.20 0.00 -0.91 0.00 0.00 33.84 32.35 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 0.09 5.55 4.22 0.11 -2.44 114.58 122.11 2jmx h GLU 36 Ca -0.49 0.00 -0.31 0.00 0.08 0.00 0.00 59.36 58.64 2jmx h GLU 36 Cb 1.89 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 2jmx h GLU 36 CO -0.04 0.58 -1.60 -0.22 -2.18 0.00 0.00 179.01 175.55 2jmx h LYS 37 N 0.00 0.19 -0.05 1.92 1.63 -1.62 -3.30 116.57 115.34 2jmx h LYS 37 Ca -0.01 -0.33 -0.21 0.00 -0.85 0.00 0.00 60.65 59.25 2jmx h LYS 37 Cb 1.04 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2jmx h LYS 37 CO 0.08 1.01 -0.84 0.93 -3.45 0.00 0.00 179.45 177.17 2jmx h GLU 38 N 0.05 0.48 -0.85 1.90 3.07 -1.69 -3.09 114.58 114.46 2jmx h GLU 38 Ca -0.26 -0.45 0.11 0.00 -0.50 0.00 0.00 59.36 58.26 2jmx h GLU 38 Cb 2.00 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 29.96 2jmx h GLU 38 CO 0.13 1.09 0.55 -0.07 -1.40 0.00 0.00 179.01 179.31 2jmx h LEU 39 N 0.30 0.70 -1.65 1.33 3.38 -1.57 0.06 115.31 117.86 2jmx h LEU 39 Ca -0.06 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.04 2jmx h LEU 39 Cb 1.46 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 2jmx h LEU 39 CO 0.15 0.40 0.40 0.25 0.09 0.00 0.00 178.44 179.73 2jmx h LEU 40 N 0.76 0.35 -0.59 1.67 5.85 -1.61 -1.72 115.31 120.01 2jmx h LEU 40 Ca 0.40 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.15 2jmx h LEU 40 Cb 0.51 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2jmx h LEU 40 CO -0.17 0.21 0.37 0.03 -0.34 0.00 0.00 178.44 178.55 2jmx h ARG 41 N 0.39 0.72 -0.91 1.25 2.47 -1.08 -0.11 114.38 117.11 2jmx h ARG 41 Ca 0.28 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 2jmx h ARG 41 Cb 0.57 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.68 2jmx h ARG 41 CO -0.07 0.48 0.53 0.28 0.56 0.00 0.00 179.97 181.74 2jmx h VAL 42 N 0.75 1.25 -0.20 2.04 2.07 -1.38 -0.06 116.25 120.71 2jmx h VAL 42 Ca 0.23 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2jmx h VAL 42 Cb -0.02 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 2jmx h VAL 42 CO -0.08 0.27 0.02 1.23 0.02 0.00 0.00 177.57 179.03 2jmx h GLY 43 N 1.27 0.37 1.14 2.17 0.00 -1.25 -2.44 103.07 104.33 2jmx h GLY 43 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2jmx h GLY 43 CO -0.06 0.24 0.56 -1.61 0.00 0.00 0.00 176.54 175.67 2jmx h GLN 44 N 0.12 1.15 -0.84 4.80 4.15 -0.64 0.36 115.11 124.21 2jmx h GLN 44 Ca 0.06 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.41 2jmx h GLN 44 Cb 0.35 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 2jmx h GLN 44 CO 0.01 0.77 0.55 0.82 -1.93 0.00 0.00 178.83 179.04 2jmx h ILE 45 N 1.18 1.22 0.01 2.39 2.04 -0.78 0.33 117.51 123.90 2jmx h ILE 45 Ca 0.31 -0.41 -0.21 0.00 1.00 0.00 0.00 64.86 65.56 2jmx h ILE 45 Cb -0.11 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 35.94 2jmx h ILE 45 CO -0.07 0.21 -0.97 0.25 0.00 0.00 0.00 178.15 177.57 2jmx h LEU 46 N 1.14 0.03 -0.90 1.44 5.85 -0.90 -3.17 115.31 118.80 2jmx h LEU 46 Ca 0.31 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.88 2jmx h LEU 46 Cb -0.12 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2jmx h LEU 46 CO -0.06 0.99 -0.53 0.11 -0.34 0.00 0.00 178.44 178.60 2jmx h LYS 47 N 0.01 0.06 -6.60 1.25 1.79 0.27 -3.38 116.57 109.98 2jmx h LYS 47 Ca -0.02 -0.03 -0.58 0.00 -2.18 0.00 0.00 60.65 57.84 2jmx h LYS 47 Cb 1.71 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 32.44 2jmx h LYS 47 CO 0.13 0.57 0.68 0.39 -1.08 0.00 0.00 179.45 180.15 2jmx n GLU 48 N -3.91 2.14 0.06 3.15 -0.58 0.11 -4.83 120.64 116.77 2jmx n GLU 48 Ca -0.02 0.76 -0.07 0.00 -0.42 0.00 0.00 57.16 57.41 2jmx n GLU 48 Cb 0.55 -2.46 0.08 0.00 -0.57 0.00 0.00 31.44 29.04 2jmx n GLU 48 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2jmx h PRO 49 N 4.63 0.36 0.13 3.49 0.13 -1.89 0.68 132.00 139.54 2jmx h PRO 49 Ca -0.45 -0.26 -0.28 0.00 -0.87 0.00 0.00 66.00 64.14 2jmx h PRO 49 Cb 1.26 0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.45 2jmx h PRO 49 CO 0.79 0.87 -1.24 -0.22 -0.23 0.00 0.00 178.00 177.97 2jmx h LYS 50 N 0.26 0.40 0.00 0.86 3.64 -1.94 -3.30 116.57 116.49 2jmx h LYS 50 Ca -0.01 -0.61 -0.20 0.00 -1.27 0.00 0.00 60.65 58.56 2jmx h LYS 50 Cb 1.16 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 2jmx h LYS 50 CO 0.11 1.27 -1.05 1.98 -2.27 0.00 0.00 179.45 179.49 2jmx h MET 51 N 0.14 0.00 -1.00 1.90 4.05 -1.80 -3.31 114.93 114.91 2jmx h MET 51 Ca -0.16 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.35 2jmx h MET 51 Cb 1.94 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 32.67 2jmx h MET 51 CO 0.22 0.79 0.64 0.00 0.23 0.00 0.00 176.91 178.80 2jmx h ALA 52 N 1.11 1.45 -0.38 0.39 0.00 0.31 0.69 119.26 122.83 2jmx h ALA 52 Ca -0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jmx h ALA 52 Cb 1.73 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2jmx h ALA 52 CO 0.11 0.37 0.25 0.00 0.00 0.00 0.00 179.25 179.98 2jmx h ALA 53 N 1.49 1.74 0.06 0.00 0.00 -1.65 -1.22 119.26 119.68 2jmx h ALA 53 Ca 0.46 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.98 2jmx h ALA 53 Cb 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2jmx h ALA 53 CO -0.20 0.24 -2.04 0.45 0.00 0.00 0.00 179.25 177.69 2jmx n SER 54 N -4.48 2.03 -0.07 0.00 2.88 -0.32 -2.99 113.62 110.68 2jmx n SER 54 Ca 0.03 0.18 0.06 0.00 -1.33 0.00 0.00 58.87 57.80 2jmx n SER 54 Cb 0.07 -0.77 0.42 0.00 -0.75 0.00 0.00 64.21 63.17 2jmx n SER 54 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2jmx h LEU 55 N -0.24 0.51 -3.63 2.46 5.85 0.36 -2.45 115.31 118.17 2jmx h LEU 55 Ca -0.48 -0.01 -0.43 0.00 0.84 0.00 0.00 57.88 57.81 2jmx h LEU 55 Cb 1.83 -0.12 -0.29 0.00 0.37 0.00 0.00 40.66 42.46 2jmx h LEU 55 CO -0.06 0.35 -0.30 -0.11 -0.34 0.00 0.00 178.44 177.99 2jmx n LEU 56 N -4.47 5.05 -4.66 2.25 0.00 -0.47 -5.01 117.00 109.68 2jmx n LEU 56 Ca 0.06 -4.35 -0.39 0.00 0.00 0.00 0.00 56.01 51.33 2jmx n LEU 56 Cb 0.16 -0.55 -0.06 0.00 0.00 0.00 0.00 43.42 42.96 2jmx n LEU 56 CO 0.35 1.72 0.28 0.21 0.00 0.00 0.00 177.39 179.95 2jmx s ASN 57 N -2.98 6.62 0.00 1.96 2.47 -0.92 -4.93 114.94 117.16 2jmx s ASN 57 Ca 0.51 0.74 0.22 0.00 0.42 0.00 0.00 52.86 54.75 2jmx s ASN 57 Cb 0.42 -2.31 1.10 0.00 -1.45 0.00 0.00 41.25 39.01 2jmx s ASN 57 CO 0.01 -0.20 1.70 -0.81 -3.72 0.00 0.00 177.10 174.08 2jmx n PRO 58 N 4.80 0.30 0.00 0.43 -0.04 -1.26 -3.06 135.00 136.17 2jmx n PRO 58 Ca -0.04 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.65 2jmx n PRO 58 Cb 0.50 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.06 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 -1.29 0.00 -1.37 0.54 4.01 -1.26 -4.02 117.16 113.76 2jmx n TYR 59 Ca 0.10 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.56 2jmx n TYR 59 Cb 0.18 -0.07 0.11 0.00 -0.31 0.00 0.00 39.34 39.25 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 -0.47 3.32 -1.91 -0.72 0.31 -1.17 -5.06 118.33 112.63 2jmx n VAL 60 Ca 0.18 -2.73 0.04 0.00 -0.01 0.00 0.00 64.34 61.81 2jmx n VAL 60 Cb 0.29 -0.88 -0.01 0.00 -0.91 0.00 0.00 33.84 32.33 2jmx n VAL 60 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2jmx n LYS 61 N -0.99 -0.55 -0.01 5.55 3.00 -1.26 -3.55 118.16 120.37 2jmx n LYS 61 Ca 0.58 0.36 -0.05 0.00 -0.00 0.00 0.00 58.31 59.20 2jmx n LYS 61 Cb 1.02 -0.67 -0.02 0.00 0.00 0.00 0.00 35.03 35.37 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 -1.54 0.16 -0.34 1.64 0.00 -1.26 -4.31 116.66 111.01 2jmx n ARG 62 Ca 0.00 0.07 -0.03 0.00 -0.00 0.00 0.00 57.85 57.88 2jmx n ARG 62 Cb 0.12 -0.78 0.09 0.00 0.00 0.00 0.00 32.46 31.90 2jmx n ARG 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2jmx h SER 63 N -0.29 1.08 -0.75 6.15 0.87 -1.93 -2.24 113.55 116.43 2jmx h SER 63 Ca -0.07 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 2jmx h SER 63 Cb 0.57 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 2jmx h SER 63 CO -0.04 0.83 0.33 0.58 -0.53 0.00 0.00 176.83 177.99 2jmx h VAL 64 N 1.25 1.25 -0.87 2.23 2.07 -1.84 -2.51 116.25 117.82 2jmx h VAL 64 Ca 0.33 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 67.14 2jmx h VAL 64 Cb -0.07 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 2jmx h VAL 64 CO -0.06 0.31 0.57 0.50 0.02 0.00 0.00 177.57 178.91 2jmx h LYS 65 N 1.07 1.05 -0.79 1.57 3.64 -1.46 -1.94 116.57 119.72 2jmx h LYS 65 Ca 0.25 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2jmx h LYS 65 Cb 0.17 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 2jmx h LYS 65 CO -0.03 0.69 0.51 0.28 -2.27 0.00 0.00 179.45 178.64 2jmx h VAL 66 N 1.08 1.21 -0.86 2.00 2.07 -1.10 -2.14 116.25 118.50 2jmx h VAL 66 Ca 0.35 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2jmx h VAL 66 Cb 0.03 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.82 2jmx h VAL 66 CO -0.10 0.20 0.45 0.11 0.02 0.00 0.00 177.57 178.25 2jmx h LYS 67 N 1.07 1.22 -0.85 1.57 1.57 -1.26 -2.38 116.57 117.51 2jmx h LYS 67 Ca 0.29 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2jmx h LYS 67 Cb -0.11 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 31.92 2jmx h LYS 67 CO -0.06 0.92 0.56 1.03 -0.57 0.00 0.00 179.45 181.33 2jmx h SER 68 N 1.22 0.92 -0.50 0.86 0.87 -1.00 -2.18 113.55 113.73 2jmx h SER 68 Ca 0.30 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2jmx h SER 68 Cb 0.07 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 2jmx h SER 68 CO -0.04 0.63 0.33 -0.07 -0.53 0.00 0.00 176.83 177.14 2jmx h LEU 69 N 1.06 0.58 -0.78 2.23 3.38 -1.08 -1.24 115.31 119.46 2jmx h LEU 69 Ca 0.34 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 2jmx h LEU 69 Cb 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2jmx h LEU 69 CO -0.10 0.43 0.40 0.77 0.09 0.00 0.00 178.44 180.02 2jmx h SER 70 N 0.68 1.00 0.77 -0.43 4.64 -1.32 -0.08 113.55 118.79 2jmx h SER 70 Ca 0.18 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2jmx h SER 70 Cb -0.07 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.77 2jmx h SER 70 CO -0.04 0.83 0.00 -0.78 -0.87 0.00 0.00 176.83 175.97 2jmx h ASP 71 N 1.09 0.00 0.07 4.97 3.58 -0.89 -1.54 116.42 123.69 2jmx h ASP 71 Ca 0.27 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.42 2jmx h ASP 71 Cb 0.08 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2jmx h ASP 71 CO -0.04 0.00 -1.61 -0.03 -2.88 0.00 0.00 179.24 174.69 2jmx h MET 72 N 0.00 0.14 -0.71 0.28 4.05 -0.17 -3.34 114.93 115.18 2jmx h MET 72 Ca 0.00 -0.24 0.04 0.00 -0.28 0.00 0.00 59.70 59.22 2jmx h MET 72 Cb 0.38 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 2jmx h MET 72 CO 0.00 1.11 0.46 1.15 0.23 0.00 0.00 176.91 179.87 2jmx h THR 73 N -0.47 1.08 -0.91 -0.77 2.02 -0.95 -1.00 112.91 111.91 2jmx h THR 73 Ca -0.38 -0.28 0.13 0.00 0.77 0.00 0.00 66.41 66.65 2jmx h THR 73 Cb 1.67 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 2jmx h THR 73 CO -0.06 0.15 0.58 0.00 0.37 0.00 0.00 175.52 176.57 2jmx h ALA 74 N 1.60 1.73 -0.60 6.16 0.00 -1.41 -0.46 119.26 126.29 2jmx h ALA 74 Ca 0.29 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 2jmx h ALA 74 Cb 0.11 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 17.62 2jmx h ALA 74 CO -0.09 0.03 0.20 1.17 0.00 0.00 0.00 179.25 180.57 2jmx n LYS 75 N -4.57 2.84 -0.03 0.00 4.81 -0.46 -4.44 118.16 116.32 2jmx n LYS 75 Ca 0.17 -3.06 0.01 0.00 -0.87 0.00 0.00 58.31 54.57 2jmx n LYS 75 Cb 0.42 -2.04 0.03 0.00 0.02 0.00 0.00 35.03 33.45 2jmx n LYS 75 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2jmx n GLU 76 N -0.64 1.77 -3.26 1.64 4.07 -0.18 -5.00 120.64 119.03 2jmx n GLU 76 Ca 0.39 -1.31 -0.23 0.00 -0.06 0.00 0.00 57.16 55.94 2jmx n GLU 76 Cb 1.26 -1.06 0.02 0.00 -0.06 0.00 0.00 31.44 31.59 2jmx n GLU 76 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2jmx n LYS 77 N -0.12 -4.32 -0.10 5.31 5.02 -1.24 -4.96 118.16 117.76 2jmx n LYS 77 Ca 0.02 0.68 -0.12 0.00 -2.02 0.00 0.00 58.31 56.87 2jmx n LYS 77 Cb 0.22 -5.48 0.11 0.00 -0.02 0.00 0.00 35.03 29.87 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jmx n PHE 78 N -4.27 -2.74 -4.34 2.13 3.72 -1.26 -5.04 117.46 105.66 2jmx n PHE 78 Ca -0.05 -0.32 -0.30 0.00 -0.05 0.00 0.00 57.45 56.72 2jmx n PHE 78 Cb 0.57 -0.48 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 2jmx n PHE 78 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2jmx n SER 79 N -4.09 3.13 0.12 4.37 3.41 -1.26 -5.00 113.62 114.30 2jmx n SER 79 Ca 0.05 -3.13 0.11 0.00 -0.26 0.00 0.00 58.87 55.65 2jmx n SER 79 Cb 0.23 0.16 0.48 0.00 -0.26 0.00 0.00 64.21 64.83 2jmx n SER 79 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2jmx n PRO 80 N -1.57 0.16 -0.92 4.33 -0.04 -1.26 -2.26 135.00 133.43 2jmx n PRO 80 Ca -0.12 0.47 -0.09 0.00 -0.04 0.00 0.00 63.50 63.72 2jmx n PRO 80 Cb 0.65 -1.85 0.19 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.16 4.63 -1.32 1.53 4.77 -1.26 -4.57 117.00 118.61 2jmx n LEU 81 Ca 0.01 -3.80 0.02 0.00 -0.03 0.00 0.00 56.01 52.21 2jmx n LEU 81 Cb 0.16 -0.67 0.01 0.00 -2.33 0.00 0.00 43.42 40.59 2jmx n LEU 81 CO 0.16 1.27 0.12 0.41 -1.33 0.00 0.00 177.39 178.01 2jmx n THR 82 N -1.12 0.00 -2.81 -5.08 -1.04 -0.96 -4.76 114.28 98.52 2jmx n THR 82 Ca 0.38 -0.76 -0.19 0.00 -2.04 0.00 0.00 64.05 61.44 2jmx n THR 82 Cb 1.13 0.87 -0.01 0.00 -1.82 0.00 0.00 70.33 70.51 2jmx n THR 82 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2jmx n SER 83 N 0.38 2.60 0.04 8.00 2.88 -1.26 -4.54 113.62 121.72 2jmx n SER 83 Ca 0.01 -3.20 0.00 0.00 -1.33 0.00 0.00 58.87 54.35 2jmx n SER 83 Cb 1.04 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2jmx n SER 83 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jmx n ASN 84 N -0.10 -0.68 0.14 -3.46 4.13 -1.26 -4.90 115.26 109.13 2jmx n ASN 84 Ca 0.24 0.26 0.11 0.00 1.68 0.00 0.00 54.58 56.87 2jmx n ASN 84 Cb 0.66 0.87 0.62 0.00 -1.54 0.00 0.00 39.78 40.39 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 0.08 -0.30 3.41 5.85 -1.87 -1.22 115.31 121.26 2jmx h LEU 85 Ca 0.00 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2jmx h LEU 85 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2jmx h LEU 85 CO 0.00 0.05 -0.03 0.40 -0.34 0.00 0.00 178.44 178.52 2jmx h ILE 86 N 0.09 1.27 -0.76 4.05 2.04 -1.91 -1.53 117.51 120.76 2jmx h ILE 86 Ca 0.10 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 64.98 2jmx h ILE 86 Cb 0.30 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2jmx h ILE 86 CO -0.01 0.32 0.49 0.78 0.00 0.00 0.00 178.15 179.73 2jmx h ASN 87 N 0.33 0.82 -0.76 1.72 4.21 -1.61 -1.60 115.58 118.68 2jmx h ASN 87 Ca 0.08 -0.01 0.03 0.00 1.21 0.00 0.00 56.30 57.61 2jmx h ASN 87 Cb 0.48 -0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 37.44 2jmx h ASN 87 CO 0.02 0.58 0.48 0.25 -1.29 0.00 0.00 177.43 177.47 2jmx h LEU 88 N 0.97 0.79 -1.26 1.61 5.85 -1.10 0.35 115.31 122.52 2jmx h LEU 88 Ca 0.29 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.06 2jmx h LEU 88 Cb -0.04 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2jmx h LEU 88 CO -0.09 0.55 0.52 -0.07 -0.34 0.00 0.00 178.44 179.01 2jmx h LEU 89 N 0.94 0.81 -3.64 2.25 3.38 -0.33 -1.45 115.31 117.26 2jmx h LEU 89 Ca 0.31 -0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.00 2jmx h LEU 89 Cb 0.02 -0.18 -0.17 0.00 0.09 0.00 0.00 40.66 40.43 2jmx h LEU 89 CO -0.12 0.54 0.25 0.00 0.09 0.00 0.00 178.44 179.21 2jmx n ALA 90 N -2.42 4.65 -0.12 1.53 0.00 -0.43 0.35 120.51 124.07 2jmx n ALA 90 Ca 0.11 -2.79 -0.26 0.00 0.00 0.00 0.00 53.44 50.50 2jmx n ALA 90 Cb 0.16 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.84 0.53 -0.77 0.00 4.07 0.11 -4.66 120.64 119.09 2jmx n GLU 91 Ca 0.42 0.22 -0.03 0.00 -0.06 0.00 0.00 57.16 57.72 2jmx n GLU 91 Cb 1.31 -1.39 0.20 0.00 -0.06 0.00 0.00 31.44 31.51 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 -4.03 2.51 -0.66 4.31 3.02 -1.24 -4.92 115.26 114.24 2jmx n ASN 92 Ca -0.48 -3.74 0.00 0.00 -0.03 0.00 0.00 54.58 50.33 2jmx n ASN 92 Cb 0.86 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.09 0.72 1.41 7.41 0.00 -1.26 -4.99 105.19 107.39 2jmx n GLY 93 Ca 0.32 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.66 2.33 -2.02 1.61 5.12 0.16 -4.62 116.66 118.57 2jmx n ARG 94 Ca 0.00 -3.08 -0.34 0.00 -1.93 0.00 0.00 57.85 52.49 2jmx n ARG 94 Cb 0.45 -1.94 0.03 0.00 -1.16 0.00 0.00 32.46 29.85 2jmx n ARG 94 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2jmx n LEU 95 N -0.91 6.54 0.07 0.55 7.94 -0.47 -3.98 117.00 126.75 2jmx n LEU 95 Ca 0.37 -4.88 0.00 0.00 -1.11 0.00 0.00 56.01 50.39 2jmx n LEU 95 Cb 1.17 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 44.29 2jmx n LEU 95 CO 0.29 1.89 -0.07 0.35 -1.11 0.00 0.00 177.39 178.74 2jmx n THR 96 N -0.58 0.48 -0.62 1.96 -2.24 -1.26 -4.78 114.28 107.23 2jmx n THR 96 Ca 0.50 0.16 0.07 0.00 -2.27 0.00 0.00 64.05 62.50 2jmx n THR 96 Cb 0.46 -1.05 0.35 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.31 5.05 -0.24 3.42 3.02 -1.26 -4.63 115.26 117.31 2jmx n ASN 97 Ca 0.00 -2.75 0.02 0.00 -0.03 0.00 0.00 54.58 51.82 2jmx n ASN 97 Cb 0.07 -0.65 0.11 0.00 -0.61 0.00 0.00 39.78 38.70 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 3.56 0.33 -0.46 3.41 2.02 -1.87 0.13 112.91 120.03 2jmx h THR 98 Ca 0.00 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 2jmx h THR 98 Cb 1.73 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 2jmx h THR 98 CO 0.40 0.01 0.10 1.55 0.37 0.00 0.00 175.52 177.94 2jmx h PRO 99 N 0.04 0.70 -0.75 6.66 0.13 -1.90 -1.81 132.00 135.07 2jmx h PRO 99 Ca 0.36 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 65.31 2jmx h PRO 99 Cb 0.59 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 2jmx h PRO 99 CO -0.69 0.65 0.31 0.00 -0.23 0.00 0.00 178.00 178.04 2jmx h ALA 100 N 1.43 0.98 -0.41 -0.56 0.00 -1.12 -2.22 119.26 117.36 2jmx h ALA 100 Ca 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jmx h ALA 100 Cb 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2jmx h ALA 100 CO -0.00 0.59 -0.07 0.28 0.00 0.00 0.00 179.25 180.05 2jmx h VAL 101 N 1.08 1.24 -0.70 0.00 2.07 -0.75 -2.71 116.25 116.49 2jmx h VAL 101 Ca 0.25 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 2jmx h VAL 101 Cb 0.20 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2jmx h VAL 101 CO -0.02 0.36 0.37 0.40 0.02 0.00 0.00 177.57 178.70 2jmx h ILE 102 N 0.64 1.21 -0.84 4.57 2.04 -0.75 -2.35 117.51 122.04 2jmx h ILE 102 Ca 0.12 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.49 2jmx h ILE 102 Cb 0.50 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 2jmx h ILE 102 CO 0.03 0.24 0.51 0.28 0.00 0.00 0.00 178.15 179.21 2jmx h SER 103 N 0.98 0.80 -0.32 1.72 0.02 -1.12 -0.19 113.55 115.44 2jmx h SER 103 Ca 0.25 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2jmx h SER 103 Cb 0.04 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2jmx h SER 103 CO -0.04 0.51 0.20 0.00 -1.14 0.00 0.00 176.83 176.37 2jmx h ALA 104 N 1.40 1.73 -0.78 3.77 0.00 -1.44 -2.16 119.26 121.78 2jmx h ALA 104 Ca 0.37 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.31 2jmx h ALA 104 Cb 0.18 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2jmx h ALA 104 CO -0.18 0.24 0.46 0.35 0.00 0.00 0.00 179.25 180.12 2jmx h PHE 105 N 0.46 0.84 -0.48 0.00 3.04 -0.91 0.68 116.94 120.56 2jmx h PHE 105 Ca 0.12 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.00 2jmx h PHE 105 Cb -0.02 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.21 2jmx h PHE 105 CO 0.00 0.39 -0.07 1.03 -2.02 0.00 0.00 178.31 177.64 2jmx h SER 106 N 0.82 0.89 0.07 0.41 0.87 -1.34 -0.72 113.55 114.55 2jmx h SER 106 Ca 0.35 -0.34 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 2jmx h SER 106 Cb 0.23 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2jmx h SER 106 CO -0.20 1.02 -0.55 0.74 -0.53 0.00 0.00 176.83 177.31 2jmx h THR 107 N 0.74 1.33 -0.22 2.23 2.02 -1.18 -3.02 112.91 114.82 2jmx h THR 107 Ca 0.13 -1.81 -0.11 0.00 0.77 0.00 0.00 66.41 65.38 2jmx h THR 107 Cb 0.61 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 2jmx h THR 107 CO 0.04 0.56 -0.35 0.24 0.37 0.00 0.00 175.52 176.37 2jmx h MET 108 N 0.39 0.47 -0.93 6.66 2.07 0.50 -2.92 114.93 121.16 2jmx h MET 108 Ca 0.01 -0.21 0.05 0.00 -2.07 0.00 0.00 59.70 57.47 2jmx h MET 108 Cb 1.09 -0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 30.75 2jmx h MET 108 CO 0.10 0.76 0.60 1.98 1.07 0.00 0.00 176.91 181.42 2jmx h MET 109 N 0.40 1.11 -0.63 1.72 -1.53 -1.00 -0.70 114.93 114.30 2jmx h MET 109 Ca 0.04 -0.07 0.14 0.00 -3.44 0.00 0.00 59.70 56.38 2jmx h MET 109 Cb 0.81 -0.25 -0.04 0.00 -0.55 0.00 0.00 31.60 31.57 2jmx h MET 109 CO 0.07 0.73 0.43 0.77 0.14 0.00 0.00 176.91 179.05 2jmx h SER 110 N 1.14 0.22 0.71 1.39 0.02 -1.48 0.28 113.55 115.83 2jmx h SER 110 Ca 0.39 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2jmx h SER 110 Cb 0.07 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2jmx h SER 110 CO -0.14 0.12 0.00 0.52 -1.14 0.00 0.00 176.83 176.19 2jmx n VAL 111 N -4.44 0.22 0.06 2.27 0.31 -0.27 -2.79 118.33 113.69 2jmx n VAL 111 Ca 0.12 0.05 0.04 0.00 -0.01 0.00 0.00 64.34 64.54 2jmx n VAL 111 Cb 0.53 -0.62 -0.05 0.00 -0.91 0.00 0.00 33.84 32.79 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 -0.38 -3.38 115.15 114.90 2jmx h HIS 112 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.13 2jmx h HIS 112 Cb 0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.72 2jmx h HIS 112 CO 0.00 0.37 -2.02 -2.13 -0.00 0.00 0.00 177.93 174.14 2jmx n ARG 113 N -2.82 0.66 0.27 5.12 0.63 -1.18 -4.08 116.66 115.26 2jmx n ARG 113 Ca -0.06 0.03 -0.18 0.00 -0.92 0.00 0.00 57.85 56.72 2jmx n ARG 113 Cb 0.73 -1.61 -0.10 0.00 0.45 0.00 0.00 32.46 31.94 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 3.89 -1.26 -6.09 5.14 0.00 -1.70 -3.40 103.07 99.66 2jmx h GLY 114 Ca -0.32 0.60 -0.43 0.00 0.00 0.00 0.00 47.33 47.18 2jmx h GLY 114 CO 0.03 -0.36 -0.78 -0.54 0.00 0.00 0.00 176.54 174.89 2jmx s GLU 115 N -5.86 0.84 -0.39 4.80 2.02 -1.26 -5.02 118.70 113.84 2jmx s GLU 115 Ca -0.18 -1.48 0.11 0.00 0.02 0.00 0.00 54.97 53.44 2jmx s GLU 115 Cb 0.05 -0.92 0.32 0.00 0.10 0.00 0.00 34.13 33.68 2jmx s GLU 115 CO 0.61 -1.31 0.68 0.28 0.02 0.00 0.00 175.26 175.53 2jmx n VAL 116 N 3.35 -0.18 -1.36 2.63 0.31 -1.26 -5.00 118.33 116.82 2jmx n VAL 116 Ca 0.21 -4.46 -0.29 0.00 -0.01 0.00 0.00 64.34 59.79 2jmx n VAL 116 Cb 0.48 -0.82 0.17 0.00 -0.91 0.00 0.00 33.84 32.75 2jmx n VAL 116 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2jmx s PRO 117 N -2.10 0.51 0.28 5.55 0.04 -1.26 -5.03 135.00 132.99 2jmx s PRO 117 Ca 0.39 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2jmx s PRO 117 Cb 0.29 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 33.07 2jmx s PRO 117 CO -0.09 -2.63 0.00 0.00 0.04 0.00 0.00 177.00 174.32 2jmx s THR 119 N -1.95 0.84 -0.30 0.00 -1.32 -1.26 -5.35 115.64 106.30 2jmx s THR 119 Ca 0.00 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.51 2jmx s THR 119 Cb 0.00 -1.96 0.02 0.00 -1.51 0.00 0.00 72.50 69.05 2jmx s THR 119 CO 0.00 -0.63 0.58 0.52 -2.21 0.00 0.00 174.62 172.87