#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 0.00 -3.71 3.13 0.00 -1.26 -5.15 120.51 113.53 2jmx n ALA 2 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2jmx n ALA 2 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2jmx n ALA 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2jmx s LYS 3 N -0.95 0.55 0.01 0.00 2.20 -1.26 -5.13 119.74 115.16 2jmx s LYS 3 Ca 0.00 -0.45 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 2jmx s LYS 3 Cb 0.00 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.29 2jmx s LYS 3 CO 0.00 -0.70 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.57 2jmx s LEU 4 N 1.89 2.40 -0.47 5.43 1.02 -1.26 -5.08 118.68 122.61 2jmx s LEU 4 Ca 0.01 -0.43 0.06 0.00 0.02 0.00 0.00 54.13 53.79 2jmx s LEU 4 Cb -0.17 -1.43 0.22 0.00 0.02 0.00 0.00 46.19 44.83 2jmx s LEU 4 CO -0.12 0.29 0.51 0.52 0.02 0.00 0.00 176.35 177.57 2jmx n VAL 5 N 1.94 -0.09 -3.95 -1.59 0.31 -1.26 -5.10 118.33 108.59 2jmx n VAL 5 Ca -0.16 -4.14 -0.09 0.00 -0.01 0.00 0.00 64.34 59.93 2jmx n VAL 5 Cb 0.52 -1.92 -0.10 0.00 -0.91 0.00 0.00 33.84 31.43 2jmx n VAL 5 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2jmx s ARG 6 N -1.08 0.43 0.27 5.55 0.52 -1.26 -5.14 118.95 118.24 2jmx s ARG 6 Ca 0.34 -0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 54.62 2jmx s ARG 6 Cb 0.11 0.17 -0.09 0.00 0.52 0.00 0.00 34.95 35.65 2jmx s ARG 6 CO -0.13 -0.09 1.15 -1.25 0.02 0.00 0.00 175.30 175.01 2jmx s PRO 7 N -1.88 4.56 -0.44 3.54 0.04 -1.26 -4.96 135.00 134.61 2jmx s PRO 7 Ca -0.12 1.89 -0.28 0.00 0.04 0.00 0.00 61.00 62.53 2jmx s PRO 7 Cb -0.06 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2jmx s PRO 7 CO -0.02 0.09 1.47 -1.25 0.04 0.00 0.00 177.00 177.33 2jmx s PRO 8 N -1.26 3.45 0.03 0.56 0.04 -1.26 -4.82 135.00 131.73 2jmx s PRO 8 Ca 0.47 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 2jmx s PRO 8 Cb -0.33 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.11 2jmx s PRO 8 CO 0.42 -1.72 -0.08 0.28 0.04 0.00 0.00 177.00 175.94 2jmx n VAL 9 N 7.08 1.24 -0.05 -0.36 0.31 -1.26 -4.97 118.33 120.32 2jmx n VAL 9 Ca 0.16 0.32 -0.10 0.00 -0.01 0.00 0.00 64.34 64.72 2jmx n VAL 9 Cb 0.48 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 2jmx n VAL 9 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jmx n GLN 10 N -3.70 0.29 -3.94 5.55 7.27 -1.26 -5.06 117.38 116.52 2jmx n GLN 10 Ca -0.04 0.12 -0.11 0.00 0.07 0.00 0.00 57.00 57.04 2jmx n GLN 10 Cb 0.15 -1.00 -0.13 0.00 2.41 0.00 0.00 30.24 31.68 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 -2.38 0.10 -0.44 1.69 1.10 -1.26 -4.72 121.20 115.29 2jmx s ILE 11 Ca -0.17 -0.45 0.05 0.00 -0.51 0.00 0.00 60.65 59.58 2jmx s ILE 11 Cb 0.05 -0.17 0.17 0.00 0.15 0.00 0.00 42.46 42.66 2jmx s ILE 11 CO 0.24 -0.22 0.53 -0.72 -2.11 0.00 0.00 174.94 172.67 2jmx s TYR 12 N -0.68 -0.70 0.00 3.50 1.13 -1.26 -4.95 117.35 114.40 2jmx s TYR 12 Ca -0.07 -0.89 0.00 0.00 -1.41 0.00 0.00 57.07 54.70 2jmx s TYR 12 Cb -0.05 -0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.67 2jmx s TYR 12 CO -0.00 -1.08 0.00 0.41 -2.51 0.00 0.00 175.55 172.36 2jmx n GLY 13 N 3.51 3.18 0.46 5.49 0.00 -1.26 -4.89 105.19 111.68 2jmx n GLY 13 Ca 0.18 -0.55 0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 0.52 -0.91 -0.61 -0.00 -2.02 0.46 117.51 114.95 2jmx h ILE 14 Ca 0.00 -0.05 0.16 0.00 -0.00 0.00 0.00 64.86 64.97 2jmx h ILE 14 Cb 0.00 0.38 -0.07 0.00 -0.00 0.00 0.00 36.82 37.12 2jmx h ILE 14 CO 0.00 0.02 0.58 -0.33 -0.00 0.00 0.00 178.15 178.43 2jmx h GLU 15 N 0.13 0.66 -0.62 2.19 3.07 -1.97 0.13 114.58 118.17 2jmx h GLU 15 Ca 0.50 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.31 2jmx h GLU 15 Cb 1.75 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 29.48 2jmx h GLU 15 CO -0.09 0.43 0.32 0.78 -1.40 0.00 0.00 179.01 179.06 2jmx h GLY 16 N 0.67 0.92 1.48 -3.84 0.00 -1.14 -1.60 103.07 99.56 2jmx h GLY 16 Ca 0.47 -0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.44 2jmx h GLY 16 CO -0.22 0.39 0.21 3.21 0.00 0.00 0.00 176.54 180.13 2jmx h ARG 17 N 0.87 0.00 0.20 4.80 2.47 -0.83 -1.46 114.38 120.43 2jmx h ARG 17 Ca 0.22 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 2jmx h ARG 17 Cb 0.05 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2jmx h ARG 17 CO -0.03 0.00 -0.13 1.88 0.56 0.00 0.00 179.97 182.25 2jmx h TYR 18 N 0.00 -0.32 -0.18 3.04 -1.99 -1.31 1.07 116.97 117.29 2jmx h TYR 18 Ca 0.09 -0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.68 2jmx h TYR 18 Cb 0.51 0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.34 2jmx h TYR 18 CO 0.00 -0.20 -0.49 0.00 -0.00 0.00 0.00 178.16 177.47 2jmx h ALA 19 N 0.47 0.82 -0.22 3.88 0.00 -1.54 -2.35 119.26 120.32 2jmx h ALA 19 Ca -0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 2jmx h ALA 19 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jmx h ALA 19 CO 0.02 0.67 -0.43 1.15 0.00 0.00 0.00 179.25 180.66 2jmx h THR 20 N 0.37 1.31 0.00 0.00 2.02 -0.89 -0.72 112.91 115.00 2jmx h THR 20 Ca 0.02 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.59 2jmx h THR 20 Cb 1.00 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2jmx h THR 20 CO 0.09 0.50 0.00 0.00 0.37 0.00 0.00 175.52 176.48 2jmx n ALA 21 N -2.50 2.39 -0.10 6.16 0.00 0.37 -2.56 120.51 124.26 2jmx n ALA 21 Ca -0.02 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 2jmx n ALA 21 Cb 0.53 -1.48 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 2jmx n ALA 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jmx n LEU 22 N -1.41 2.76 0.12 0.00 7.94 -0.89 -4.17 117.00 121.34 2jmx n LEU 22 Ca 0.10 -0.07 0.12 0.00 -1.11 0.00 0.00 56.01 55.06 2jmx n LEU 22 Cb 0.30 -0.87 0.45 0.00 0.53 0.00 0.00 43.42 43.83 2jmx n LEU 22 CO 0.25 0.90 0.87 0.00 -1.11 0.00 0.00 177.39 178.31 2jmx n TYR 23 N -3.27 0.86 -0.32 1.96 0.18 -0.31 -3.19 117.16 113.07 2jmx n TYR 23 Ca -0.43 0.29 0.18 0.00 1.88 0.00 0.00 57.90 59.82 2jmx n TYR 23 Cb 1.01 -0.97 0.43 0.00 -0.38 0.00 0.00 39.34 39.42 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 0.59 0.23 9.48 0.87 -1.66 1.35 113.55 124.41 2jmx h SER 24 Ca 0.00 0.08 -0.30 0.00 -1.23 0.00 0.00 61.79 60.34 2jmx h SER 24 Cb 0.55 -0.02 0.03 0.00 -0.44 0.00 0.00 62.40 62.52 2jmx h SER 24 CO 0.00 0.18 -1.29 0.00 -0.53 0.00 0.00 176.83 175.19 2jmx h ALA 25 N 1.64 -0.01 -0.50 6.23 0.00 -1.81 -3.20 119.26 121.61 2jmx h ALA 25 Ca 0.57 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jmx h ALA 25 Cb 1.18 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2jmx h ALA 25 CO -0.32 0.73 0.32 0.00 0.00 0.00 0.00 179.25 179.98 2jmx h ALA 26 N 0.32 1.63 -0.90 0.00 0.00 -0.06 -2.05 119.26 118.21 2jmx h ALA 26 Ca -0.19 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2jmx h ALA 26 Cb 1.97 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 2jmx h ALA 26 CO 0.24 0.34 0.56 1.03 0.00 0.00 0.00 179.25 181.42 2jmx h SER 27 N 0.67 0.88 -0.78 0.00 0.87 0.15 0.94 113.55 116.29 2jmx h SER 27 Ca 0.18 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2jmx h SER 27 Cb -0.07 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 2jmx h SER 27 CO -0.04 0.55 0.30 0.50 -0.53 0.00 0.00 176.83 177.61 2jmx h LYS 28 N 1.01 1.17 0.00 2.24 3.64 -1.45 -2.29 116.57 120.89 2jmx h LYS 28 Ca 0.40 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2jmx h LYS 28 Cb 0.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2jmx h LYS 28 CO -0.18 0.96 -0.22 1.04 -2.27 0.00 0.00 179.45 178.77 2jmx n GLN 29 N -4.29 0.00 -2.92 1.90 6.02 -0.42 -4.94 117.38 112.73 2jmx n GLN 29 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 2jmx n GLN 29 Cb 0.19 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.98 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 -1.51 -3.64 -1.00 1.08 2.85 0.31 -4.95 115.26 108.40 2jmx n ASN 30 Ca 0.06 -0.24 0.08 0.00 -0.11 0.00 0.00 54.58 54.37 2jmx n ASN 30 Cb 0.34 -2.46 0.25 0.00 1.24 0.00 0.00 39.78 39.15 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 -2.43 3.17 -0.29 1.20 5.02 -0.46 -4.64 118.16 119.72 2jmx n LYS 31 Ca -0.01 -2.59 0.28 0.00 -2.02 0.00 0.00 58.31 53.97 2jmx n LYS 31 Cb 0.53 -1.67 0.64 0.00 -0.02 0.00 0.00 35.03 34.51 2jmx n LYS 31 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2jmx h LEU 32 N 2.49 0.20 -0.29 -0.35 3.38 -1.92 0.44 115.31 119.25 2jmx h LEU 32 Ca 0.00 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2jmx h LEU 32 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2jmx h LEU 32 CO 0.16 0.04 -0.18 -0.08 0.09 0.00 0.00 178.44 178.47 2jmx h GLU 33 N 0.17 0.64 0.00 1.13 4.81 -1.97 1.15 114.58 120.51 2jmx h GLU 33 Ca 0.54 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2jmx h GLU 33 Cb 1.80 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.17 2jmx h GLU 33 CO -0.13 0.89 -0.02 1.96 -0.73 0.00 0.00 179.01 180.98 2jmx h GLN 34 N 0.39 0.00 0.00 1.92 1.08 -0.50 -2.13 115.11 115.86 2jmx h GLN 34 Ca 0.06 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.94 2jmx h GLN 34 Cb 0.72 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.09 2jmx h GLN 34 CO 0.05 0.02 -2.17 0.28 -0.95 0.00 0.00 178.83 176.07 2jmx n VAL 35 N -3.49 1.17 0.01 -0.54 0.31 -0.68 -3.93 118.33 111.17 2jmx n VAL 35 Ca -0.03 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2jmx n VAL 35 Cb 0.12 -1.42 0.31 0.00 -0.91 0.00 0.00 33.84 31.94 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 -0.27 0.51 0.22 5.55 4.22 0.13 -0.21 114.58 124.74 2jmx h GLU 36 Ca -0.48 -0.11 -0.34 0.00 0.08 0.00 0.00 59.36 58.51 2jmx h GLU 36 Cb 1.62 -0.08 0.03 0.00 0.50 0.00 0.00 28.75 30.82 2jmx h GLU 36 CO -0.16 0.53 -1.58 -0.22 -2.18 0.00 0.00 179.01 175.41 2jmx h LYS 37 N 0.49 0.47 -0.18 1.92 3.11 -1.55 -3.23 116.57 117.60 2jmx h LYS 37 Ca 0.11 -0.81 -0.18 0.00 -2.81 0.00 0.00 60.65 56.96 2jmx h LYS 37 Cb 0.32 0.30 -0.00 0.00 -1.00 0.00 0.00 32.23 31.85 2jmx h LYS 37 CO 0.01 1.39 -0.61 0.93 -2.81 0.00 0.00 179.45 178.35 2jmx h GLU 38 N 0.10 0.63 -0.80 1.90 4.39 -1.67 -2.97 114.58 116.16 2jmx h GLU 38 Ca -0.29 -0.43 0.10 0.00 0.34 0.00 0.00 59.36 59.08 2jmx h GLU 38 Cb 2.12 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 30.78 2jmx h GLU 38 CO 0.23 1.05 0.52 -0.07 -1.16 0.00 0.00 179.01 179.58 2jmx h LEU 39 N 0.46 0.65 -1.45 1.33 3.38 -1.15 -0.18 115.31 118.35 2jmx h LEU 39 Ca -0.01 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2jmx h LEU 39 Cb 1.19 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2jmx h LEU 39 CO 0.12 0.38 0.38 0.25 0.09 0.00 0.00 178.44 179.66 2jmx h LEU 40 N 0.71 0.64 -1.01 1.67 5.85 -1.54 -2.13 115.31 119.50 2jmx h LEU 40 Ca 0.37 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.13 2jmx h LEU 40 Cb 0.49 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 2jmx h LEU 40 CO -0.15 0.46 0.66 0.03 -0.34 0.00 0.00 178.44 179.10 2jmx h ARG 41 N 0.75 1.21 -0.95 1.25 2.47 -1.08 0.84 114.38 118.87 2jmx h ARG 41 Ca 0.21 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 2jmx h ARG 41 Cb -0.05 -0.27 -0.05 0.00 -1.65 0.00 0.00 29.97 27.95 2jmx h ARG 41 CO -0.05 0.80 0.61 0.28 0.56 0.00 0.00 179.97 182.17 2jmx h VAL 42 N 1.25 1.25 -0.21 2.04 2.07 -1.40 0.48 116.25 121.72 2jmx h VAL 42 Ca 0.41 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 2jmx h VAL 42 Cb 0.05 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 2jmx h VAL 42 CO -0.14 0.25 -0.25 1.23 0.02 0.00 0.00 177.57 178.68 2jmx h GLY 43 N 1.29 0.60 1.23 2.17 0.00 -1.27 -2.84 103.07 104.25 2jmx h GLY 43 Ca 0.34 -0.63 0.05 0.00 0.00 0.00 0.00 47.33 47.09 2jmx h GLY 43 CO -0.07 0.57 0.39 -1.61 0.00 0.00 0.00 176.54 175.83 2jmx h GLN 44 N 0.23 0.60 0.75 4.80 4.15 -0.35 0.59 115.11 125.88 2jmx h GLN 44 Ca 0.03 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2jmx h GLN 44 Cb 0.82 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 28.38 2jmx h GLN 44 CO 0.06 0.40 -0.36 0.82 -1.93 0.00 0.00 178.83 177.82 2jmx h ILE 45 N 0.62 0.15 0.00 2.39 2.04 -0.74 -2.50 117.51 119.46 2jmx h ILE 45 Ca 0.25 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2jmx h ILE 45 Cb 0.21 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2jmx h ILE 45 CO -0.07 0.01 -0.02 0.25 0.00 0.00 0.00 178.15 178.32 2jmx h LEU 46 N -1.16 0.00 -1.14 1.44 5.85 -1.25 -0.92 115.31 118.12 2jmx h LEU 46 Ca -0.10 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2jmx h LEU 46 Cb 0.79 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2jmx h LEU 46 CO 0.17 0.02 -0.13 0.11 -0.34 0.00 0.00 178.44 178.27 2jmx h LYS 47 N 0.00 0.44 -6.93 1.25 1.57 -0.46 -3.40 116.57 109.03 2jmx h LYS 47 Ca -0.00 -0.12 -0.51 0.00 -1.87 0.00 0.00 60.65 58.15 2jmx h LYS 47 Cb 0.11 -0.05 0.05 0.00 0.08 0.00 0.00 32.23 32.43 2jmx h LYS 47 CO 0.00 0.57 0.52 -1.21 -0.57 0.00 0.00 179.45 178.77 2jmx s GLU 48 N -4.72 4.09 0.10 3.15 0.41 -0.35 -4.94 118.70 116.43 2jmx s GLU 48 Ca -0.07 1.89 -0.14 0.00 -0.41 0.00 0.00 54.97 56.24 2jmx s GLU 48 Cb 0.15 -2.73 -0.11 0.00 -1.78 0.00 0.00 34.13 29.65 2jmx s GLU 48 CO 0.77 -0.31 1.37 -1.00 -0.49 0.00 0.00 175.26 175.60 2jmx h PRO 49 N 2.74 0.73 -0.84 0.39 0.13 -1.85 -2.40 132.00 130.90 2jmx h PRO 49 Ca -0.49 -0.47 0.06 0.00 -0.87 0.00 0.00 66.00 64.23 2jmx h PRO 49 Cb 1.23 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 2jmx h PRO 49 CO 0.63 1.09 0.55 0.87 -0.23 0.00 0.00 178.00 180.91 2jmx h LYS 50 N 0.46 0.93 -0.11 0.86 6.56 -1.92 -1.93 116.57 121.41 2jmx h LYS 50 Ca 0.01 -0.06 -0.20 0.00 -1.06 0.00 0.00 60.65 59.34 2jmx h LYS 50 Cb 1.06 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 2jmx h LYS 50 CO 0.10 0.61 -0.75 0.52 -2.06 0.00 0.00 179.45 177.87 2jmx h MET 51 N 0.95 0.58 -0.93 3.15 2.86 -1.77 -3.17 114.93 116.59 2jmx h MET 51 Ca 0.35 -0.47 0.19 0.00 -2.06 0.00 0.00 59.70 57.72 2jmx h MET 51 Cb 0.18 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.86 2jmx h MET 51 CO -0.12 1.10 0.60 0.00 1.06 0.00 0.00 176.91 179.55 2jmx h ALA 52 N 0.77 2.03 -0.36 6.32 0.00 -0.82 0.23 119.26 127.42 2jmx h ALA 52 Ca -0.04 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2jmx h ALA 52 Cb 1.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2jmx h ALA 52 CO 0.14 -0.33 0.25 0.00 0.00 0.00 0.00 179.25 179.31 2jmx h ALA 53 N 1.61 2.07 0.00 0.00 0.00 -1.50 -2.07 119.26 119.37 2jmx h ALA 53 Ca 0.50 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 55.01 2jmx h ALA 53 Cb 1.05 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 2jmx h ALA 53 CO -0.23 -0.14 -2.41 0.43 0.00 0.00 0.00 179.25 176.90 2jmx n SER 54 N -4.47 2.01 -0.16 0.00 7.64 0.35 -3.64 113.62 115.35 2jmx n SER 54 Ca 0.05 0.03 0.11 0.00 1.01 0.00 0.00 58.87 60.07 2jmx n SER 54 Cb 0.28 -0.52 0.44 0.00 -1.01 0.00 0.00 64.21 63.39 2jmx n SER 54 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2jmx h LEU 55 N -0.34 0.51 -3.76 -3.43 4.07 -0.69 -2.10 115.31 109.57 2jmx h LEU 55 Ca -0.58 0.01 -0.54 0.00 0.08 0.00 0.00 57.88 56.85 2jmx h LEU 55 Cb 1.74 -0.09 -0.36 0.00 1.08 0.00 0.00 40.66 43.03 2jmx h LEU 55 CO -0.20 0.30 -0.37 -0.11 -1.08 0.00 0.00 178.44 176.98 2jmx n LEU 56 N -4.49 5.45 -4.58 1.67 0.00 -0.78 -4.85 117.00 109.43 2jmx n LEU 56 Ca 0.12 -4.56 -0.39 0.00 0.00 0.00 0.00 56.01 51.18 2jmx n LEU 56 Cb 0.37 -0.51 -0.10 0.00 0.00 0.00 0.00 43.42 43.18 2jmx n LEU 56 CO 0.33 1.89 -0.07 0.21 0.00 0.00 0.00 177.39 179.75 2jmx s ASN 57 N -3.12 6.11 0.00 1.96 3.84 -0.79 -4.94 114.94 118.00 2jmx s ASN 57 Ca 0.53 -0.03 0.06 0.00 0.21 0.00 0.00 52.86 53.63 2jmx s ASN 57 Cb 0.43 -2.16 0.27 0.00 -0.55 0.00 0.00 41.25 39.25 2jmx s ASN 57 CO 0.02 -0.16 1.19 -0.81 -2.79 0.00 0.00 177.10 174.56 2jmx n PRO 58 N 5.19 1.23 0.03 0.43 -0.04 -1.26 -3.66 135.00 136.92 2jmx n PRO 58 Ca -0.12 -0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.10 2jmx n PRO 58 Cb 0.51 -1.13 0.02 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.26 0.34 -1.19 0.54 4.02 -1.26 -4.26 117.16 115.09 2jmx n TYR 59 Ca 0.06 0.10 -0.28 0.00 -0.01 0.00 0.00 57.90 57.77 2jmx n TYR 59 Cb 0.10 -0.50 0.12 0.00 -0.02 0.00 0.00 39.34 39.04 2jmx n TYR 59 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2jmx n VAL 60 N -2.05 3.32 -1.73 -0.72 0.24 -1.24 -5.06 118.33 111.09 2jmx n VAL 60 Ca 0.02 -2.30 0.05 0.00 -2.04 0.00 0.00 64.34 60.06 2jmx n VAL 60 Cb 0.45 -0.84 -0.01 0.00 -1.47 0.00 0.00 33.84 31.97 2jmx n VAL 60 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2jmx n LYS 61 N -0.92 -0.71 -0.06 7.34 5.02 -1.26 -3.40 118.16 124.17 2jmx n LYS 61 Ca 0.58 0.47 -0.12 0.00 -2.02 0.00 0.00 58.31 57.22 2jmx n LYS 61 Cb 1.13 -0.87 -0.04 0.00 -0.02 0.00 0.00 35.03 35.23 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 -1.70 0.32 -0.33 1.97 3.00 -1.26 -4.11 116.66 114.56 2jmx n ARG 62 Ca 0.00 0.14 -0.01 0.00 -0.00 0.00 0.00 57.85 57.98 2jmx n ARG 62 Cb 0.16 -1.05 0.12 0.00 0.00 0.00 0.00 32.46 31.69 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 -0.57 0.94 -0.73 6.15 0.02 -1.94 -1.74 113.55 115.68 2jmx h SER 63 Ca -0.24 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 2jmx h SER 63 Cb 1.03 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 2jmx h SER 63 CO -0.14 0.64 0.25 0.58 -1.14 0.00 0.00 176.83 177.02 2jmx h VAL 64 N 1.10 1.26 -0.65 2.27 2.07 -1.82 -2.44 116.25 118.03 2jmx h VAL 64 Ca 0.36 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 67.08 2jmx h VAL 64 Cb 0.04 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2jmx h VAL 64 CO -0.13 0.34 0.43 0.50 0.02 0.00 0.00 177.57 178.73 2jmx h LYS 65 N 1.06 0.63 -0.95 1.57 3.64 -1.34 -1.70 116.57 119.48 2jmx h LYS 65 Ca 0.24 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 2jmx h LYS 65 Cb 0.27 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 2jmx h LYS 65 CO -0.01 0.42 0.61 0.28 -2.27 0.00 0.00 179.45 178.48 2jmx h VAL 66 N 0.65 1.13 -0.94 2.00 2.07 -1.03 -1.70 116.25 118.43 2jmx h VAL 66 Ca 0.28 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2jmx h VAL 66 Cb 0.26 -0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 29.84 2jmx h VAL 66 CO -0.08 0.21 0.62 0.11 0.02 0.00 0.00 177.57 178.45 2jmx h LYS 67 N 1.16 1.24 -0.75 1.57 6.56 -1.34 -1.97 116.57 123.03 2jmx h LYS 67 Ca 0.39 -0.08 0.07 0.00 -1.06 0.00 0.00 60.65 59.98 2jmx h LYS 67 Cb 0.07 -0.28 -0.05 0.00 -0.57 0.00 0.00 32.23 31.40 2jmx h LYS 67 CO -0.14 0.82 0.49 1.03 -2.06 0.00 0.00 179.45 179.59 2jmx h SER 68 N 1.27 0.67 0.18 0.86 0.87 -1.27 -0.67 113.55 115.46 2jmx h SER 68 Ca 0.34 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 2jmx h SER 68 Cb -0.15 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.68 2jmx h SER 68 CO -0.07 0.42 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.49 2jmx h LEU 69 N 0.76 -0.20 -0.86 2.23 4.07 -1.27 0.26 115.31 120.30 2jmx h LEU 69 Ca 0.33 -0.10 0.01 0.00 0.08 0.00 0.00 57.88 58.20 2jmx h LEU 69 Cb 0.32 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 2jmx h LEU 69 CO -0.12 -0.02 0.57 -1.28 -1.08 0.00 0.00 178.44 176.51 2jmx h SER 70 N -0.38 0.98 0.92 -0.43 0.87 -1.37 0.90 113.55 115.05 2jmx h SER 70 Ca -0.02 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2jmx h SER 70 Cb 0.30 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2jmx h SER 70 CO 0.04 0.71 -0.13 -0.78 -0.53 0.00 0.00 176.83 176.14 2jmx h ASP 71 N 1.16 0.00 0.09 6.23 1.82 -0.92 -1.49 116.42 123.31 2jmx h ASP 71 Ca 0.31 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.67 2jmx h ASP 71 Cb -0.13 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 2jmx h ASP 71 CO -0.07 0.13 -1.50 -0.03 -1.61 0.00 0.00 179.24 176.16 2jmx h MET 72 N 0.00 0.18 -0.92 0.28 4.05 0.71 -3.33 114.93 115.91 2jmx h MET 72 Ca -0.00 -0.31 0.16 0.00 -0.28 0.00 0.00 59.70 59.27 2jmx h MET 72 Cb 0.63 0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 31.47 2jmx h MET 72 CO 0.02 1.15 0.59 1.15 0.23 0.00 0.00 176.91 180.04 2jmx h THR 73 N -0.40 0.79 -0.93 -0.77 2.02 0.87 0.95 112.91 115.44 2jmx h THR 73 Ca -0.34 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 66.67 2jmx h THR 73 Cb 1.70 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 2jmx h THR 73 CO -0.00 0.12 0.61 0.00 0.37 0.00 0.00 175.52 176.61 2jmx h ALA 74 N 1.60 1.47 0.16 6.16 0.00 -1.37 -1.20 119.26 126.09 2jmx h ALA 74 Ca 0.47 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 55.04 2jmx h ALA 74 Cb 0.82 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jmx h ALA 74 CO -0.23 0.40 -1.49 -0.22 0.00 0.00 0.00 179.25 177.71 2jmx h LYS 75 N 1.08 0.35 0.00 0.00 1.63 -1.08 -3.27 116.57 115.28 2jmx h LYS 75 Ca 0.40 -0.59 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2jmx h LYS 75 Cb 0.16 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2jmx h LYS 75 CO -0.15 1.25 0.00 1.49 -3.45 0.00 0.00 179.45 178.59 2jmx h GLU 76 N 0.09 0.00 -5.75 1.90 4.57 -0.49 -3.46 114.58 111.45 2jmx h GLU 76 Ca -0.24 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.58 2jmx h GLU 76 Cb 2.06 0.00 0.15 0.00 -0.16 0.00 0.00 28.75 30.80 2jmx h GLU 76 CO 0.20 0.00 -0.74 1.17 -1.18 0.00 0.00 179.01 178.46 2jmx n LYS 77 N -2.91 -6.98 -0.13 1.92 3.00 -0.49 -4.97 118.16 107.60 2jmx n LYS 77 Ca -0.01 0.83 -0.10 0.00 -0.00 0.00 0.00 58.31 59.02 2jmx n LYS 77 Cb 0.16 -5.84 0.10 0.00 0.00 0.00 0.00 35.03 29.45 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2jmx n PHE 78 N -4.43 -2.35 -3.30 5.64 3.72 -1.24 -5.04 117.46 110.46 2jmx n PHE 78 Ca -0.19 -0.23 -0.04 0.00 -0.05 0.00 0.00 57.45 56.95 2jmx n PHE 78 Cb 0.63 -0.53 0.01 0.00 -0.94 0.00 0.00 39.48 38.65 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 -3.21 0.83 0.00 4.37 7.64 -1.26 -4.98 113.62 117.02 2jmx n SER 79 Ca 0.05 -1.27 0.11 0.00 1.01 0.00 0.00 58.87 58.76 2jmx n SER 79 Cb 0.20 -0.03 0.56 0.00 -1.01 0.00 0.00 64.21 63.93 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 -0.94 0.25 -0.10 1.43 -0.04 -1.26 -3.01 135.00 131.32 2jmx n PRO 80 Ca 0.01 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.59 2jmx n PRO 80 Cb 0.10 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.34 2.50 0.00 1.53 4.77 -1.26 -4.66 117.00 118.54 2jmx n LEU 81 Ca 0.10 -2.25 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 2jmx n LEU 81 Cb 0.20 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2jmx n LEU 81 CO 0.19 0.61 0.35 0.41 -1.33 0.00 0.00 177.39 177.62 2jmx n THR 82 N -0.34 0.47 -1.71 -5.08 -1.04 -1.16 -4.61 114.28 100.80 2jmx n THR 82 Ca 0.08 -0.66 -0.28 0.00 -2.04 0.00 0.00 64.05 61.14 2jmx n THR 82 Cb 0.42 0.83 0.05 0.00 -1.82 0.00 0.00 70.33 69.81 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 -0.23 6.10 0.16 8.00 3.41 -1.25 -3.91 113.62 125.90 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 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2jmx n SER 83 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jmx n ASN 84 N -0.81 -1.12 0.15 4.04 4.13 -1.26 -4.79 115.26 115.59 2jmx n ASN 84 Ca 0.52 0.57 0.16 0.00 1.68 0.00 0.00 54.58 57.51 2jmx n ASN 84 Cb 0.84 1.22 0.73 0.00 -1.54 0.00 0.00 39.78 41.03 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 -1.22 3.41 5.85 -1.81 -0.21 115.31 121.33 2jmx h LEU 85 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 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 0.45 -0.29 -0.34 0.00 0.00 178.44 178.26 2jmx h ILE 86 N 0.00 1.20 -0.05 4.05 2.10 -1.87 -2.59 117.51 120.35 2jmx h ILE 86 Ca 0.12 -0.42 -0.00 0.00 1.08 0.00 0.00 64.86 65.64 2jmx h ILE 86 Cb 0.56 0.16 -0.00 0.00 -1.09 0.00 0.00 36.82 36.44 2jmx h ILE 86 CO -0.00 0.21 0.02 -1.13 -1.08 0.00 0.00 178.15 176.17 2jmx h ASN 87 N 1.00 0.06 -0.85 2.19 -1.24 -1.35 -2.75 115.58 112.66 2jmx h ASN 87 Ca 0.26 -0.14 0.16 0.00 0.71 0.00 0.00 56.30 57.29 2jmx h ASN 87 Cb -0.06 -0.02 -0.10 0.00 0.73 0.00 0.00 38.32 38.87 2jmx h ASN 87 CO -0.05 0.19 0.41 -0.07 -1.29 0.00 0.00 177.43 176.62 2jmx h LEU 88 N -0.06 0.46 -1.48 0.34 3.38 -1.47 0.55 115.31 117.03 2jmx h LEU 88 Ca 0.02 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2jmx h LEU 88 Cb 0.14 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2jmx h LEU 88 CO -0.00 0.17 0.21 -0.07 0.09 0.00 0.00 178.44 178.83 2jmx h LEU 89 N 0.56 0.49 -3.47 1.67 3.38 -1.20 -2.14 115.31 114.60 2jmx h LEU 89 Ca 0.48 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 58.19 2jmx h LEU 89 Cb 0.73 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.22 2jmx h LEU 89 CO -0.40 0.41 0.06 0.00 0.09 0.00 0.00 178.44 178.61 2jmx n ALA 90 N -2.47 4.42 -0.12 1.53 0.00 0.66 -1.53 120.51 123.01 2jmx n ALA 90 Ca 0.03 -3.00 -0.23 0.00 0.00 0.00 0.00 53.44 50.24 2jmx n ALA 90 Cb 0.11 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.04 0.50 -0.83 0.00 2.13 0.16 -4.57 120.64 117.00 2jmx n GLU 91 Ca 0.37 0.20 -0.05 0.00 0.66 0.00 0.00 57.16 58.34 2jmx n GLU 91 Cb 1.15 -1.35 0.20 0.00 0.27 0.00 0.00 31.44 31.71 2jmx n GLU 91 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2jmx n ASN 92 N -3.89 2.49 -1.14 4.31 3.02 -1.25 -4.92 115.26 113.88 2jmx n ASN 92 Ca -0.45 -3.78 -0.03 0.00 -0.03 0.00 0.00 54.58 50.29 2jmx n ASN 92 Cb 0.84 -0.64 0.01 0.00 -0.61 0.00 0.00 39.78 39.38 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 -1.12 0.52 2.21 7.41 0.00 -1.26 -4.96 105.19 107.98 2jmx n GLY 93 Ca 0.34 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.27 2.68 -2.17 1.61 5.12 -0.58 -4.65 116.66 117.40 2jmx n ARG 94 Ca -0.02 -3.35 -0.38 0.00 -1.93 0.00 0.00 57.85 52.17 2jmx n ARG 94 Cb 0.52 -2.24 0.03 0.00 -1.16 0.00 0.00 32.46 29.60 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 -0.94 6.94 0.08 0.55 4.77 -1.17 -3.96 117.00 123.26 2jmx n LEU 95 Ca 0.58 -5.02 0.00 0.00 -0.03 0.00 0.00 56.01 51.54 2jmx n LEU 95 Cb 0.89 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2jmx n LEU 95 CO 0.68 1.91 -0.05 0.35 -1.33 0.00 0.00 177.39 178.95 2jmx n THR 96 N -0.44 0.24 -0.18 -5.08 -2.24 -1.26 -4.80 114.28 100.52 2jmx n THR 96 Ca 0.50 0.08 0.07 0.00 -2.27 0.00 0.00 64.05 62.42 2jmx n THR 96 Cb 0.31 -0.81 0.29 0.00 -2.10 0.00 0.00 70.33 68.02 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 -3.22 3.96 -0.26 3.42 3.02 -1.26 -4.60 115.26 116.32 2jmx n ASN 97 Ca 0.00 -2.41 0.02 0.00 -0.03 0.00 0.00 54.58 52.16 2jmx n ASN 97 Cb 0.05 -0.53 0.09 0.00 -0.61 0.00 0.00 39.78 38.78 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 3.18 0.25 -0.65 3.41 2.02 -1.87 0.14 112.91 119.38 2jmx h THR 98 Ca 0.00 -0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2jmx h THR 98 Cb 1.26 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2jmx h THR 98 CO 0.22 0.00 0.20 1.55 0.37 0.00 0.00 175.52 177.86 2jmx h PRO 99 N 0.00 1.00 -0.17 6.66 0.13 -1.89 -2.00 132.00 135.73 2jmx h PRO 99 Ca 0.37 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2jmx h PRO 99 Cb 0.57 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 2jmx h PRO 99 CO -0.77 0.86 0.11 0.00 -0.23 0.00 0.00 178.00 177.96 2jmx h ALA 100 N 1.25 1.87 -0.72 -0.56 0.00 -1.08 -2.19 119.26 117.84 2jmx h ALA 100 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2jmx h ALA 100 Cb 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2jmx h ALA 100 CO -0.01 0.12 0.46 0.28 0.00 0.00 0.00 179.25 180.10 2jmx h VAL 101 N 0.23 1.12 -0.27 0.00 2.07 -0.57 -1.92 116.25 116.91 2jmx h VAL 101 Ca 0.06 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2jmx h VAL 101 Cb -0.02 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2jmx h VAL 101 CO -0.01 0.17 0.16 0.40 0.02 0.00 0.00 177.57 178.30 2jmx h ILE 102 N 0.91 1.08 -0.38 4.57 5.03 -1.43 -2.67 117.51 124.61 2jmx h ILE 102 Ca 0.28 -0.18 0.03 0.00 -0.12 0.00 0.00 64.86 64.87 2jmx h ILE 102 Cb -0.02 0.71 -0.04 0.00 -3.03 0.00 0.00 36.82 34.44 2jmx h ILE 102 CO -0.09 0.08 0.17 0.28 -0.68 0.00 0.00 178.15 177.91 2jmx h SER 103 N 0.36 0.23 -0.40 1.72 0.02 -1.35 -0.85 113.55 113.28 2jmx h SER 103 Ca 0.10 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2jmx h SER 103 Cb -0.01 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2jmx h SER 103 CO -0.02 0.17 0.27 0.00 -1.14 0.00 0.00 176.83 176.11 2jmx h ALA 104 N 1.22 1.89 -0.47 3.77 0.00 -1.50 -2.14 119.26 122.02 2jmx h ALA 104 Ca 0.17 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2jmx h ALA 104 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2jmx h ALA 104 CO -0.13 0.06 0.26 0.35 0.00 0.00 0.00 179.25 179.78 2jmx h PHE 105 N 0.39 0.48 -0.04 0.00 3.04 -1.11 0.82 116.94 120.52 2jmx h PHE 105 Ca 0.17 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.04 2jmx h PHE 105 Cb 0.18 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 2jmx h PHE 105 CO -0.00 0.26 -0.41 0.77 -2.02 0.00 0.00 178.31 176.91 2jmx h SER 106 N 0.51 0.08 0.20 0.41 0.02 -1.22 0.34 113.55 113.89 2jmx h SER 106 Ca 0.20 -0.03 -0.27 0.00 -0.84 0.00 0.00 61.79 60.84 2jmx h SER 106 Cb 0.06 -0.02 0.02 0.00 0.14 0.00 0.00 62.40 62.60 2jmx h SER 106 CO -0.11 0.48 -1.13 0.74 -1.14 0.00 0.00 176.83 175.67 2jmx h THR 107 N 0.07 1.33 0.10 -2.27 2.02 -1.09 -2.87 112.91 110.19 2jmx h THR 107 Ca 0.00 -2.46 -0.26 0.00 0.77 0.00 0.00 66.41 64.46 2jmx h THR 107 Cb 0.75 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 2jmx h THR 107 CO 0.06 0.75 -1.17 -0.03 0.37 0.00 0.00 175.52 175.49 2jmx h MET 108 N 0.28 0.27 -0.98 6.66 1.85 -0.79 -3.21 114.93 119.01 2jmx h MET 108 Ca -0.14 -0.43 0.08 0.00 -0.61 0.00 0.00 59.70 58.60 2jmx h MET 108 Cb 1.79 0.15 -0.07 0.00 0.43 0.00 0.00 31.60 33.90 2jmx h MET 108 CO 0.21 1.18 0.63 1.98 -0.40 0.00 0.00 176.91 180.51 2jmx h MET 109 N 0.09 1.05 -0.27 0.39 -1.53 -0.38 0.15 114.93 114.43 2jmx h MET 109 Ca -0.12 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.08 2jmx h MET 109 Cb 1.89 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 32.69 2jmx h MET 109 CO 0.19 0.70 0.18 0.77 0.14 0.00 0.00 176.91 178.88 2jmx h SER 110 N 1.08 0.31 0.72 1.39 0.02 -1.51 0.06 113.55 115.63 2jmx h SER 110 Ca 0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2jmx h SER 110 Cb 0.29 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2jmx h SER 110 CO -0.20 0.22 0.00 0.52 -1.14 0.00 0.00 176.83 176.24 2jmx n VAL 111 N -4.50 0.27 0.06 2.27 0.31 0.48 -2.79 118.33 114.44 2jmx n VAL 111 Ca 0.01 0.07 0.02 0.00 -0.01 0.00 0.00 64.34 64.42 2jmx n VAL 111 Cb 0.07 -0.65 -0.05 0.00 -0.91 0.00 0.00 33.84 32.30 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 -0.63 -3.38 115.15 114.66 2jmx h HIS 112 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 60.37 60.04 2jmx h HIS 112 Cb 0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.71 2jmx h HIS 112 CO 0.00 0.50 -2.01 -2.13 -0.00 0.00 0.00 177.93 174.28 2jmx n ARG 113 N -2.94 0.66 0.00 5.12 0.63 -1.19 -4.15 116.66 114.79 2jmx n ARG 113 Ca -0.06 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2jmx n ARG 113 Cb 0.78 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 32.02 2jmx n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jmx n GLY 114 N 1.65 -2.86 2.57 5.14 0.00 -1.12 -4.63 105.19 105.95 2jmx n GLY 114 Ca -0.24 0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 2jmx n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jmx s GLU 115 N -2.24 0.87 -0.45 1.61 2.56 -1.26 -5.05 118.70 114.74 2jmx s GLU 115 Ca 0.00 -1.52 0.05 0.00 0.00 0.00 0.00 54.97 53.50 2jmx s GLU 115 Cb 0.00 -0.91 0.18 0.00 2.00 0.00 0.00 34.13 35.40 2jmx s GLU 115 CO 0.00 -1.32 0.48 0.28 -0.56 0.00 0.00 175.26 174.14 2jmx n VAL 116 N 3.26 -0.79 -1.42 3.70 0.31 -1.26 -5.01 118.33 117.11 2jmx n VAL 116 Ca 0.22 -2.59 -0.31 0.00 -0.01 0.00 0.00 64.34 61.64 2jmx n VAL 116 Cb 0.49 -0.73 0.07 0.00 -0.91 0.00 0.00 33.84 32.76 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 0.32 2.59 -0.27 5.55 0.04 -1.26 -4.95 135.00 137.02 2jmx s PRO 117 Ca 0.32 1.04 -0.03 0.00 0.04 0.00 0.00 61.00 62.37 2jmx s PRO 117 Cb 0.03 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.72 2jmx s PRO 117 CO -0.15 -1.37 0.11 0.00 0.04 0.00 0.00 177.00 175.63 2jmx n THR 119 N 5.14 0.00 -0.96 0.00 5.66 -1.26 -5.16 114.28 117.71 2jmx n THR 119 Ca -0.06 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2jmx n THR 119 Cb 0.43 0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2jmx n THR 119 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57