#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 2.41 -0.63 3.13 0.00 -1.26 -5.11 121.76 120.29 2jmx s ALA 2 Ca 0.00 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.42 2jmx s ALA 2 Cb 0.00 0.95 0.16 0.00 0.00 0.00 0.00 23.12 24.23 2jmx s ALA 2 CO 0.00 -0.42 0.42 0.21 0.00 0.00 0.00 175.76 175.97 2jmx s LYS 3 N -3.75 2.19 0.08 0.00 2.47 -1.26 -5.08 119.74 114.39 2jmx s LYS 3 Ca 0.31 -3.04 0.01 0.00 -1.56 0.00 0.00 55.97 51.69 2jmx s LYS 3 Cb 0.04 -3.21 -0.04 0.00 -1.46 0.00 0.00 37.83 33.17 2jmx s LYS 3 CO 0.17 -1.25 -0.06 -0.51 0.16 0.00 0.00 175.35 173.86 2jmx s LEU 4 N -1.01 2.47 -0.01 5.43 1.02 -1.26 -5.17 118.68 120.15 2jmx s LEU 4 Ca 0.23 -0.93 -0.01 0.00 0.02 0.00 0.00 54.13 53.44 2jmx s LEU 4 Cb -0.10 -0.04 0.00 0.00 0.02 0.00 0.00 46.19 46.07 2jmx s LEU 4 CO -0.12 -0.45 0.03 0.54 0.02 0.00 0.00 176.35 176.38 2jmx s VAL 5 N -3.31 0.01 -0.40 -1.59 0.11 -1.26 -5.11 120.40 108.85 2jmx s VAL 5 Ca 0.08 -0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 2jmx s VAL 5 Cb 0.03 -0.09 0.16 0.00 -1.53 0.00 0.00 36.38 34.95 2jmx s VAL 5 CO -0.05 -0.06 0.35 -0.60 -3.33 0.00 0.00 175.10 171.41 2jmx s ARG 6 N -0.17 0.82 0.95 1.54 6.06 -1.26 -5.14 118.95 121.75 2jmx s ARG 6 Ca -0.02 -1.73 -0.12 0.00 -2.50 0.00 0.00 55.73 51.36 2jmx s ARG 6 Cb -0.01 -1.19 0.16 0.00 0.06 0.00 0.00 34.95 33.96 2jmx s ARG 6 CO -0.00 -1.33 1.12 -1.25 -2.50 0.00 0.00 175.30 171.34 2jmx s PRO 7 N 0.48 0.82 0.06 5.12 0.04 -1.26 -4.98 135.00 135.27 2jmx s PRO 7 Ca 0.28 0.40 -0.17 0.00 0.04 0.00 0.00 61.00 61.55 2jmx s PRO 7 Cb -0.04 -1.79 -0.16 0.00 0.04 0.00 0.00 34.50 32.54 2jmx s PRO 7 CO -0.12 -2.44 1.27 -1.00 0.04 0.00 0.00 177.00 174.74 2jmx h PRO 8 N -1.68 0.56 -6.44 0.56 0.13 -2.06 -3.43 132.00 119.64 2jmx h PRO 8 Ca -0.52 -0.43 -0.53 0.00 -0.87 0.00 0.00 66.00 63.65 2jmx h PRO 8 Cb 1.33 0.08 0.03 0.00 0.13 0.00 0.00 31.00 32.57 2jmx h PRO 8 CO 0.60 1.05 1.18 0.54 -0.23 0.00 0.00 178.00 181.14 2jmx s VAL 9 N -3.80 2.74 0.00 1.56 0.11 -1.26 -4.86 120.40 114.89 2jmx s VAL 9 Ca -0.13 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 2jmx s VAL 9 Cb 0.06 -3.00 -0.02 0.00 -1.53 0.00 0.00 36.38 31.89 2jmx s VAL 9 CO 0.83 -0.00 -0.08 1.67 -3.33 0.00 0.00 175.10 174.19 2jmx n GLN 10 N 6.62 0.12 -4.62 1.54 0.00 -1.26 -5.06 117.38 114.70 2jmx n GLN 10 Ca 0.19 0.05 -0.26 0.00 -0.00 0.00 0.00 57.00 56.98 2jmx n GLN 10 Cb 0.39 -0.70 -0.14 0.00 0.00 0.00 0.00 30.24 29.79 2jmx n GLN 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 2jmx s ILE 11 N -2.16 1.72 -0.44 1.69 1.10 -1.26 -4.80 121.20 117.05 2jmx s ILE 11 Ca -0.07 -1.26 0.06 0.00 -0.51 0.00 0.00 60.65 58.87 2jmx s ILE 11 Cb 0.02 -1.50 0.17 0.00 0.15 0.00 0.00 42.46 41.30 2jmx s ILE 11 CO 0.10 0.19 0.54 -0.72 -2.11 0.00 0.00 174.94 172.93 2jmx s TYR 12 N -0.84 -0.77 0.00 3.50 1.13 -1.26 -5.09 117.35 114.01 2jmx s TYR 12 Ca 0.08 -0.80 0.00 0.00 -1.41 0.00 0.00 57.07 54.94 2jmx s TYR 12 Cb -0.09 -0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 2jmx s TYR 12 CO 0.02 -1.09 0.00 0.41 -2.51 0.00 0.00 175.55 172.38 2jmx n GLY 13 N 3.59 3.25 0.50 5.49 0.00 -1.26 -4.89 105.19 111.87 2jmx n GLY 13 Ca 0.17 -0.57 0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 0.38 -0.81 -0.61 6.09 -2.01 0.21 117.51 120.77 2jmx h ILE 14 Ca 0.00 -0.04 0.14 0.00 -1.37 0.00 0.00 64.86 63.59 2jmx h ILE 14 Cb 0.00 0.24 -0.06 0.00 0.47 0.00 0.00 36.82 37.48 2jmx h ILE 14 CO 0.00 0.02 0.53 -0.33 -3.07 0.00 0.00 178.15 175.30 2jmx h GLU 15 N 0.13 0.53 -0.49 2.19 5.08 -1.95 0.60 114.58 120.68 2jmx h GLU 15 Ca 0.63 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.82 2jmx h GLU 15 Cb 2.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 2jmx h GLU 15 CO -0.14 0.35 -0.22 0.78 -1.00 0.00 0.00 179.01 178.78 2jmx h GLY 16 N 0.55 1.09 1.33 -3.84 0.00 -0.79 -2.66 103.07 98.74 2jmx h GLY 16 Ca 0.40 -0.97 0.09 0.00 0.00 0.00 0.00 47.33 46.84 2jmx h GLY 16 CO -0.15 0.88 0.25 -0.09 0.00 0.00 0.00 176.54 177.44 2jmx h ARG 17 N 0.86 0.00 -0.30 4.80 9.65 -0.92 -1.95 114.38 126.53 2jmx h ARG 17 Ca 0.11 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.02 2jmx h ARG 17 Cb 0.80 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.35 2jmx h ARG 17 CO 0.07 0.00 0.11 1.88 2.80 0.00 0.00 179.97 184.83 2jmx h TYR 18 N 0.00 0.20 -0.16 2.20 -1.99 -1.22 1.00 116.97 117.01 2jmx h TYR 18 Ca 0.14 0.01 -0.20 0.00 2.00 0.00 0.00 58.73 60.68 2jmx h TYR 18 Cb 0.65 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.33 2jmx h TYR 18 CO 0.00 0.10 -0.72 0.00 -0.00 0.00 0.00 178.16 177.54 2jmx h ALA 19 N 1.18 0.43 -0.21 3.88 0.00 -1.51 -2.57 119.26 120.47 2jmx h ALA 19 Ca 0.13 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 2jmx h ALA 19 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jmx h ALA 19 CO -0.12 0.70 -0.28 1.15 0.00 0.00 0.00 179.25 180.70 2jmx h THR 20 N 0.49 1.27 0.00 0.00 2.02 -0.96 0.21 112.91 115.93 2jmx h THR 20 Ca -0.03 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.86 2jmx h THR 20 Cb 1.32 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2jmx h THR 20 CO 0.14 0.40 0.00 0.00 0.37 0.00 0.00 175.52 176.43 2jmx n ALA 21 N -2.48 2.13 -0.11 6.16 0.00 0.34 -1.23 120.51 125.32 2jmx n ALA 21 Ca -0.01 -0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 2jmx n ALA 21 Cb 0.41 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.01 2.51 0.13 0.00 7.94 -0.80 -4.18 117.00 120.58 2jmx n LEU 22 Ca 0.05 0.12 0.13 0.00 -1.11 0.00 0.00 56.01 55.19 2jmx n LEU 22 Cb 0.35 -0.92 0.45 0.00 0.53 0.00 0.00 43.42 43.83 2jmx n LEU 22 CO 0.26 0.75 0.87 0.10 -1.11 0.00 0.00 177.39 178.27 2jmx h TYR 23 N -0.39 0.00 -0.97 1.96 -0.00 -0.69 -3.16 116.97 113.72 2jmx h TYR 23 Ca -0.57 0.00 0.20 0.00 0.00 0.00 0.00 58.73 58.36 2jmx h TYR 23 Cb 1.78 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 38.40 2jmx h TYR 23 CO 0.01 0.00 0.56 1.03 -0.00 0.00 0.00 178.16 179.76 2jmx h SER 24 N 0.00 0.69 -0.09 0.10 0.87 -1.33 1.21 113.55 114.99 2jmx h SER 24 Ca 0.00 0.11 -0.19 0.00 -1.23 0.00 0.00 61.79 60.48 2jmx h SER 24 Cb 0.55 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2jmx h SER 24 CO 0.00 0.21 -0.70 0.00 -0.53 0.00 0.00 176.83 175.81 2jmx h ALA 25 N 1.66 0.21 -1.00 6.23 0.00 -1.79 -3.11 119.26 121.46 2jmx h ALA 25 Ca 0.57 -0.58 0.13 0.00 0.00 0.00 0.00 54.91 55.04 2jmx h ALA 25 Cb 0.94 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2jmx h ALA 25 CO -0.41 0.53 0.63 0.00 0.00 0.00 0.00 179.25 180.00 2jmx h ALA 26 N 0.47 1.57 -0.77 0.00 0.00 0.08 -0.59 119.26 120.01 2jmx h ALA 26 Ca -0.06 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2jmx h ALA 26 Cb 1.35 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2jmx h ALA 26 CO 0.14 0.17 0.46 1.03 0.00 0.00 0.00 179.25 181.06 2jmx h SER 27 N 0.94 0.72 -0.55 0.00 0.87 0.12 0.92 113.55 116.57 2jmx h SER 27 Ca 0.51 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.99 2jmx h SER 27 Cb 0.56 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2jmx h SER 27 CO -0.28 0.46 -0.03 0.50 -0.53 0.00 0.00 176.83 176.96 2jmx h LYS 28 N 0.85 1.02 -0.04 2.24 3.64 -1.15 -2.52 116.57 120.60 2jmx h LYS 28 Ca 0.34 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2jmx h LYS 28 Cb 0.18 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2jmx h LYS 28 CO -0.18 1.01 0.00 1.04 -2.27 0.00 0.00 179.45 179.06 2jmx n GLN 29 N -4.17 1.46 -3.23 1.90 6.02 -0.53 -4.93 117.38 113.90 2jmx n GLN 29 Ca 0.03 -0.68 -0.16 0.00 -0.01 0.00 0.00 57.00 56.17 2jmx n GLN 29 Cb 0.35 -1.45 0.06 0.00 1.02 0.00 0.00 30.24 30.23 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 -0.15 -4.52 -1.07 1.08 2.85 0.29 -4.93 115.26 108.80 2jmx n ASN 30 Ca 0.19 -0.39 0.08 0.00 -0.11 0.00 0.00 54.58 54.35 2jmx n ASN 30 Cb 0.27 -3.73 0.26 0.00 1.24 0.00 0.00 39.78 37.82 2jmx n ASN 30 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2jmx n LYS 31 N -3.61 3.24 -0.34 1.20 4.76 0.78 -4.64 118.16 119.56 2jmx n LYS 31 Ca -0.03 -2.62 0.22 0.00 -2.87 0.00 0.00 58.31 53.00 2jmx n LYS 31 Cb 0.56 -1.70 0.47 0.00 -1.84 0.00 0.00 35.03 32.53 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 2.69 0.51 -0.04 -0.35 -0.00 -1.92 0.47 115.31 116.67 2jmx h LEU 32 Ca 0.00 0.11 -0.20 0.00 -0.00 0.00 0.00 57.88 57.79 2jmx h LEU 32 Cb 1.24 0.03 0.01 0.00 -0.00 0.00 0.00 40.66 41.94 2jmx h LEU 32 CO 0.17 0.07 -0.75 -0.08 -0.00 0.00 0.00 178.44 177.84 2jmx h GLU 33 N 0.44 0.59 0.00 1.13 4.81 -1.97 0.85 114.58 120.43 2jmx h GLU 33 Ca 0.63 -0.57 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2jmx h GLU 33 Cb 1.47 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 2jmx h GLU 33 CO -0.37 1.19 -0.05 1.96 -0.73 0.00 0.00 179.01 181.01 2jmx h GLN 34 N 0.20 0.00 0.00 1.92 4.20 -0.61 -1.64 115.11 119.17 2jmx h GLN 34 Ca -0.08 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.28 2jmx h GLN 34 Cb 1.42 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.14 2jmx h GLN 34 CO 0.15 0.05 -2.33 0.28 -0.67 0.00 0.00 178.83 176.32 2jmx n VAL 35 N -4.35 1.33 0.21 -0.54 0.31 0.12 -3.62 118.33 111.80 2jmx n VAL 35 Ca -0.03 -0.50 0.06 0.00 -0.01 0.00 0.00 64.34 63.86 2jmx n VAL 35 Cb 0.14 -1.34 0.46 0.00 -0.91 0.00 0.00 33.84 32.18 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 -0.03 0.00 0.13 5.55 4.22 0.73 0.27 114.58 125.45 2jmx h GLU 36 Ca -0.52 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 58.56 2jmx h GLU 36 Cb 1.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 2jmx h GLU 36 CO -0.09 0.30 -1.92 -0.22 -2.18 0.00 0.00 179.01 174.89 2jmx h LYS 37 N 0.00 0.28 -0.14 1.92 3.11 -1.45 -2.92 116.57 117.37 2jmx h LYS 37 Ca -0.00 -0.49 -0.12 0.00 -2.81 0.00 0.00 60.65 57.23 2jmx h LYS 37 Cb 0.60 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 2jmx h LYS 37 CO 0.04 1.23 -0.37 0.93 -2.81 0.00 0.00 179.45 178.47 2jmx h GLU 38 N 0.04 0.50 -0.80 1.90 4.39 -1.61 -2.97 114.58 116.03 2jmx h GLU 38 Ca -0.41 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 58.94 2jmx h GLU 38 Cb 2.02 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 30.69 2jmx h GLU 38 CO 0.10 0.96 0.45 1.25 -1.16 0.00 0.00 179.01 180.61 2jmx h LEU 39 N 0.12 0.98 -1.43 1.33 5.85 -0.64 -1.83 115.31 119.69 2jmx h LEU 39 Ca -0.01 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2jmx h LEU 39 Cb 0.98 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 2jmx h LEU 39 CO 0.08 0.78 0.45 0.25 -0.34 0.00 0.00 178.44 179.66 2jmx h LEU 40 N 1.12 0.61 -1.09 2.25 5.85 -1.42 -1.53 115.31 121.09 2jmx h LEU 40 Ca 0.29 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.10 2jmx h LEU 40 Cb 0.00 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 2jmx h LEU 40 CO -0.05 0.39 0.62 -0.09 -0.34 0.00 0.00 178.44 178.97 2jmx h ARG 41 N 0.69 0.99 -0.95 1.25 9.65 -1.17 -0.77 114.38 124.08 2jmx h ARG 41 Ca 0.30 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.11 2jmx h ARG 41 Cb 0.28 -0.22 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 2jmx h ARG 41 CO -0.09 0.66 0.56 0.28 2.80 0.00 0.00 179.97 184.18 2jmx h VAL 42 N 1.02 1.26 -0.21 0.20 2.07 -1.33 0.98 116.25 120.24 2jmx h VAL 42 Ca 0.44 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2jmx h VAL 42 Cb 0.33 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2jmx h VAL 42 CO -0.19 0.28 0.07 1.23 0.02 0.00 0.00 177.57 178.97 2jmx h GLY 43 N 1.31 0.35 1.02 2.17 0.00 -1.16 0.17 103.07 106.93 2jmx h GLY 43 Ca 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 2jmx h GLY 43 CO -0.06 0.20 0.26 -1.61 0.00 0.00 0.00 176.54 175.32 2jmx h GLN 44 N 0.17 1.02 -0.48 4.80 4.15 -0.96 0.20 115.11 124.01 2jmx h GLN 44 Ca 0.07 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 2jmx h GLN 44 Cb 0.23 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 2jmx h GLN 44 CO -0.00 0.86 0.21 0.82 -1.93 0.00 0.00 178.83 178.79 2jmx h ILE 45 N 0.97 1.20 -0.08 2.39 2.04 -0.62 0.18 117.51 123.58 2jmx h ILE 45 Ca 0.23 -0.59 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 2jmx h ILE 45 Cb 0.23 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2jmx h ILE 45 CO -0.02 0.22 -0.51 -0.07 0.00 0.00 0.00 178.15 177.78 2jmx h LEU 46 N 0.63 0.24 -0.47 1.44 3.38 -0.65 -2.90 115.31 116.99 2jmx h LEU 46 Ca 0.16 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2jmx h LEU 46 Cb 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2jmx h LEU 46 CO -0.02 0.71 -0.71 0.11 0.09 0.00 0.00 178.44 178.63 2jmx h LYS 47 N 0.18 0.33 -6.53 1.13 1.79 -0.26 -3.36 116.57 109.84 2jmx h LYS 47 Ca 0.01 -0.26 -0.60 0.00 -2.18 0.00 0.00 60.65 57.61 2jmx h LYS 47 Cb 0.96 0.05 0.11 0.00 -1.58 0.00 0.00 32.23 31.77 2jmx h LYS 47 CO 0.08 0.91 0.24 0.39 -1.08 0.00 0.00 179.45 179.98 2jmx n GLU 48 N -3.83 1.54 -0.04 3.15 -0.58 0.59 -4.77 120.64 116.70 2jmx n GLU 48 Ca -0.04 0.54 -0.16 0.00 -0.42 0.00 0.00 57.16 57.08 2jmx n GLU 48 Cb 0.69 -1.97 -0.06 0.00 -0.57 0.00 0.00 31.44 29.52 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 2.24 0.79 -0.16 3.49 0.13 -1.87 0.53 132.00 137.16 2jmx h PRO 49 Ca -0.41 -0.59 -0.07 0.00 -0.87 0.00 0.00 66.00 64.05 2jmx h PRO 49 Cb 1.33 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.55 2jmx h PRO 49 CO 0.62 1.21 -0.23 0.87 -0.23 0.00 0.00 178.00 180.24 2jmx h LYS 50 N 0.53 0.28 0.05 0.86 1.79 -1.92 -2.99 116.57 115.16 2jmx h LYS 50 Ca -0.03 -0.09 -0.34 0.00 -2.18 0.00 0.00 60.65 58.02 2jmx h LYS 50 Cb 1.29 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.87 2jmx h LYS 50 CO 0.14 0.50 -1.96 -1.33 -1.08 0.00 0.00 179.45 175.72 2jmx n MET 51 N -4.17 0.69 -0.32 3.15 2.81 -1.20 -4.21 117.12 113.88 2jmx n MET 51 Ca -0.01 0.24 0.04 0.00 -1.81 0.00 0.00 57.70 56.16 2jmx n MET 51 Cb 0.35 -1.71 0.19 0.00 -0.71 0.00 0.00 33.22 31.34 2jmx n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jmx h ALA 52 N 0.55 1.29 -0.04 3.04 0.00 0.09 0.31 119.26 124.50 2jmx h ALA 52 Ca -0.39 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2jmx h ALA 52 Cb 2.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 2jmx h ALA 52 CO 0.06 0.16 0.05 0.00 0.00 0.00 0.00 179.25 179.52 2jmx h ALA 53 N 1.48 1.54 0.00 0.00 0.00 -1.69 0.21 119.26 120.80 2jmx h ALA 53 Ca 0.43 -0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.89 2jmx h ALA 53 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2jmx h ALA 53 CO -0.25 -0.06 -2.46 0.43 0.00 0.00 0.00 179.25 176.91 2jmx n SER 54 N -3.77 1.96 0.10 0.00 7.64 0.42 -3.43 113.62 116.54 2jmx n SER 54 Ca -0.02 0.27 0.01 0.00 1.01 0.00 0.00 58.87 60.14 2jmx n SER 54 Cb 0.13 -0.77 0.34 0.00 -1.01 0.00 0.00 64.21 62.91 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 -0.84 0.27 -3.39 -3.43 3.38 -0.51 -2.75 115.31 108.04 2jmx h LEU 55 Ca -0.67 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2jmx h LEU 55 Cb 1.65 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2jmx h LEU 55 CO -0.36 0.46 0.00 -0.11 0.09 0.00 0.00 178.44 178.52 2jmx n LEU 56 N -4.23 4.95 -4.71 1.67 0.00 0.06 -4.97 117.00 109.78 2jmx n LEU 56 Ca -0.01 -2.86 -0.42 0.00 0.00 0.00 0.00 56.01 52.73 2jmx n LEU 56 Cb 0.30 -0.61 -0.03 0.00 0.00 0.00 0.00 43.42 43.08 2jmx n LEU 56 CO 0.39 0.67 0.68 0.21 0.00 0.00 0.00 177.39 179.34 2jmx s ASN 57 N -1.16 7.31 0.00 1.96 3.84 -1.04 -4.92 114.94 120.93 2jmx s ASN 57 Ca 0.49 1.60 0.12 0.00 0.21 0.00 0.00 52.86 55.28 2jmx s ASN 57 Cb 0.37 -2.55 0.66 0.00 -0.55 0.00 0.00 41.25 39.18 2jmx s ASN 57 CO 0.15 -0.29 1.44 -0.81 -2.79 0.00 0.00 177.10 174.80 2jmx n PRO 58 N 4.11 1.11 -0.05 0.43 -0.04 -1.26 -3.71 135.00 135.59 2jmx n PRO 58 Ca 0.06 -0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 2jmx n PRO 58 Cb 0.51 -1.20 -0.15 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.52 0.66 0.00 0.54 4.02 -1.26 -4.68 117.16 115.92 2jmx n TYR 59 Ca 0.09 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.21 2jmx n TYR 59 Cb 0.08 -1.12 0.00 0.00 -0.02 0.00 0.00 39.34 38.28 2jmx n TYR 59 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2jmx n VAL 60 N -2.99 0.00 -2.20 -0.72 0.31 -1.24 -5.04 118.33 106.45 2jmx n VAL 60 Ca -0.24 0.76 0.00 0.00 -0.01 0.00 0.00 64.34 64.85 2jmx n VAL 60 Cb 1.08 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 -0.34 -2.02 -0.13 5.55 5.02 -1.26 -4.86 118.16 120.12 2jmx n LYS 61 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 2jmx n LYS 61 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 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 -0.11 0.57 -0.06 1.97 0.00 -1.26 -4.26 116.66 113.52 2jmx n ARG 62 Ca 0.00 0.22 -0.19 0.00 -0.00 0.00 0.00 57.85 57.88 2jmx n ARG 62 Cb 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 32.46 30.88 2jmx n ARG 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2jmx n SER 63 N -3.90 1.92 -0.16 6.15 3.41 -1.26 -4.07 113.62 115.70 2jmx n SER 63 Ca -0.49 0.07 -0.07 0.00 -0.26 0.00 0.00 58.87 58.11 2jmx n SER 63 Cb 0.89 -0.56 0.02 0.00 -0.26 0.00 0.00 64.21 64.30 2jmx n SER 63 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2jmx h VAL 64 N 0.04 1.12 -0.86 -3.33 2.07 -1.94 -2.04 116.25 111.32 2jmx h VAL 64 Ca -0.49 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 66.93 2jmx h VAL 64 Cb 1.99 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 2jmx h VAL 64 CO 0.01 0.12 0.56 0.50 0.02 0.00 0.00 177.57 178.78 2jmx h LYS 65 N 0.66 0.73 -0.78 1.57 3.11 -1.76 -0.89 116.57 119.21 2jmx h LYS 65 Ca 0.18 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.96 2jmx h LYS 65 Cb -0.08 -0.16 -0.04 0.00 -1.00 0.00 0.00 32.23 30.95 2jmx h LYS 65 CO -0.04 0.48 0.42 0.28 -2.81 0.00 0.00 179.45 177.78 2jmx h VAL 66 N 0.75 1.24 -0.86 2.00 2.07 -1.52 -2.27 116.25 117.66 2jmx h VAL 66 Ca 0.41 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.40 2jmx h VAL 66 Cb 0.56 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 2jmx h VAL 66 CO -0.18 0.27 0.56 0.50 0.02 0.00 0.00 177.57 178.74 2jmx h LYS 67 N 1.09 0.92 -0.76 1.57 3.11 -0.99 -1.28 116.57 120.23 2jmx h LYS 67 Ca 0.27 -0.06 0.06 0.00 -2.81 0.00 0.00 60.65 58.12 2jmx h LYS 67 Cb 0.05 -0.21 -0.05 0.00 -1.00 0.00 0.00 32.23 31.02 2jmx h LYS 67 CO -0.04 0.61 0.50 1.03 -2.81 0.00 0.00 179.45 178.73 2jmx h SER 68 N 0.95 0.73 -0.46 4.20 0.87 -1.25 -2.04 113.55 116.54 2jmx h SER 68 Ca 0.37 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2jmx h SER 68 Cb 0.23 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2jmx h SER 68 CO -0.14 0.48 0.29 -0.07 -0.53 0.00 0.00 176.83 176.86 2jmx h LEU 69 N 0.83 0.48 -0.86 2.23 3.38 -1.21 -0.06 115.31 120.09 2jmx h LEU 69 Ca 0.32 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.30 2jmx h LEU 69 Cb 0.21 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2jmx h LEU 69 CO -0.11 0.34 0.57 -1.28 0.09 0.00 0.00 178.44 178.05 2jmx h SER 70 N 0.58 0.97 0.86 -0.43 0.87 -1.38 0.80 113.55 115.83 2jmx h SER 70 Ca 0.18 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2jmx h SER 70 Cb -0.02 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2jmx h SER 70 CO -0.07 0.70 -0.17 -0.78 -0.53 0.00 0.00 176.83 175.98 2jmx h ASP 71 N 1.15 0.00 0.10 6.23 1.82 -1.07 -1.36 116.42 123.29 2jmx h ASP 71 Ca 0.32 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.68 2jmx h ASP 71 Cb -0.11 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 2jmx h ASP 71 CO -0.08 0.17 -1.44 -0.03 -1.61 0.00 0.00 179.24 176.26 2jmx h MET 72 N 0.00 0.21 -0.91 0.28 4.05 0.21 -3.22 114.93 115.55 2jmx h MET 72 Ca -0.00 -0.37 0.12 0.00 -0.28 0.00 0.00 59.70 59.17 2jmx h MET 72 Cb 0.65 0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 31.51 2jmx h MET 72 CO 0.02 1.18 0.59 1.15 0.23 0.00 0.00 176.91 180.07 2jmx h THR 73 N -0.35 0.90 -0.74 -0.77 2.02 0.65 0.81 112.91 115.44 2jmx h THR 73 Ca -0.32 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 2jmx h THR 73 Cb 1.73 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 2jmx h THR 73 CO 0.03 0.15 0.30 0.00 0.37 0.00 0.00 175.52 176.37 2jmx h ALA 74 N 1.57 0.96 0.09 6.16 0.00 -1.34 -1.23 119.26 125.46 2jmx h ALA 74 Ca 0.45 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.91 2jmx h ALA 74 Cb 0.55 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jmx h ALA 74 CO -0.21 0.58 -1.14 0.87 0.00 0.00 0.00 179.25 179.35 2jmx h LYS 75 N 1.06 0.32 0.00 0.00 1.57 -1.06 -3.20 116.57 115.26 2jmx h LYS 75 Ca 0.25 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2jmx h LYS 75 Cb 0.21 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2jmx h LYS 75 CO -0.02 1.18 0.00 -1.91 -0.57 0.00 0.00 179.45 178.13 2jmx n GLU 76 N -3.62 0.07 -3.53 3.15 0.00 0.27 -4.90 120.64 112.08 2jmx n GLU 76 Ca -0.08 0.26 -0.20 0.00 0.00 0.00 0.00 57.16 57.14 2jmx n GLU 76 Cb 0.96 -1.62 0.08 0.00 0.00 0.00 0.00 31.44 30.86 2jmx n GLU 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2jmx n LYS 77 N -1.74 -7.10 -0.10 5.31 4.81 -0.48 -4.98 118.16 113.89 2jmx n LYS 77 Ca 0.04 0.82 -0.09 0.00 -0.87 0.00 0.00 58.31 58.21 2jmx n LYS 77 Cb 0.22 -5.84 0.09 0.00 0.02 0.00 0.00 35.03 29.52 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 -4.52 -2.29 -3.51 5.64 3.72 -1.17 -5.04 117.46 110.28 2jmx n PHE 78 Ca -0.16 -0.20 -0.01 0.00 -0.05 0.00 0.00 57.45 57.03 2jmx n PHE 78 Cb 0.62 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 -3.24 1.05 0.00 4.37 3.41 -1.26 -4.99 113.62 112.96 2jmx n SER 79 Ca 0.04 -1.07 0.11 0.00 -0.26 0.00 0.00 58.87 57.70 2jmx n SER 79 Cb 0.17 -0.00 0.60 0.00 -0.26 0.00 0.00 64.21 64.72 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 -0.56 0.39 -0.06 4.33 -0.04 -1.26 -3.12 135.00 134.69 2jmx n PRO 80 Ca -0.00 0.06 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 2jmx n PRO 80 Cb 0.02 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.24 2.27 -0.07 1.53 4.77 -1.26 -4.67 117.00 118.33 2jmx n LEU 81 Ca 0.12 -2.21 0.01 0.00 -0.03 0.00 0.00 56.01 53.90 2jmx n LEU 81 Cb 0.17 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2jmx n LEU 81 CO 0.17 0.58 0.27 0.41 -1.33 0.00 0.00 177.39 177.49 2jmx n THR 82 N -0.49 0.00 -1.58 -5.08 -1.04 -1.18 -4.58 114.28 100.34 2jmx n THR 82 Ca 0.05 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.32 2jmx n THR 82 Cb 0.36 1.04 0.09 0.00 -1.82 0.00 0.00 70.33 70.00 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 0.07 5.34 0.11 8.00 3.41 -1.26 -3.78 113.62 125.52 2jmx n SER 83 Ca 0.01 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 2jmx n SER 83 Cb 0.04 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 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 -0.92 -0.11 0.22 4.04 3.02 -1.26 -4.76 115.26 115.49 2jmx n ASN 84 Ca 0.50 0.39 0.14 0.00 -0.03 0.00 0.00 54.58 55.58 2jmx n ASN 84 Cb 0.93 0.32 0.77 0.00 -0.61 0.00 0.00 39.78 41.19 2jmx n ASN 84 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2jmx h LEU 85 N 0.00 0.00 -1.19 3.41 5.85 -1.81 -0.58 115.31 120.99 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 -0.31 4.05 2.10 -1.86 -1.59 117.51 121.11 2jmx h ILE 86 Ca 0.06 -0.45 -0.09 0.00 1.08 0.00 0.00 64.86 65.46 2jmx h ILE 86 Cb 0.28 0.16 -0.01 0.00 -1.09 0.00 0.00 36.82 36.16 2jmx h ILE 86 CO -0.00 0.21 -0.15 0.78 -1.08 0.00 0.00 178.15 177.91 2jmx h ASN 87 N 1.01 0.67 -0.86 2.19 4.21 -1.40 -2.84 115.58 118.56 2jmx h ASN 87 Ca 0.27 -0.41 0.07 0.00 1.21 0.00 0.00 56.30 57.44 2jmx h ASN 87 Cb -0.05 -0.18 -0.06 0.00 -1.12 0.00 0.00 38.32 36.90 2jmx h ASN 87 CO -0.05 0.93 0.53 -0.07 -1.29 0.00 0.00 177.43 177.48 2jmx h LEU 88 N 0.41 0.81 -1.02 1.61 3.38 -1.30 0.37 115.31 119.57 2jmx h LEU 88 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jmx h LEU 88 Cb 0.68 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2jmx h LEU 88 CO 0.05 0.51 0.59 -0.07 0.09 0.00 0.00 178.44 179.60 2jmx h LEU 89 N 0.94 1.10 -3.69 1.67 3.38 -1.16 -2.17 115.31 115.37 2jmx h LEU 89 Ca 0.39 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 58.03 2jmx h LEU 89 Cb 0.22 -0.28 -0.16 0.00 0.09 0.00 0.00 40.66 40.53 2jmx h LEU 89 CO -0.19 0.83 0.29 0.00 0.09 0.00 0.00 178.44 179.45 2jmx n ALA 90 N -2.40 4.67 -0.11 1.53 0.00 -0.49 -1.34 120.51 122.37 2jmx n ALA 90 Ca 0.11 -2.65 -0.19 0.00 0.00 0.00 0.00 53.44 50.70 2jmx n ALA 90 Cb 0.04 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.64 0.56 -0.06 0.00 2.13 0.12 -4.50 120.64 118.23 2jmx n GLU 91 Ca 0.43 0.23 -0.13 0.00 0.66 0.00 0.00 57.16 58.35 2jmx n GLU 91 Cb 1.36 -1.45 -0.14 0.00 0.27 0.00 0.00 31.44 31.48 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 -4.34 1.07 0.00 4.31 3.02 -1.25 -4.96 115.26 113.11 2jmx n ASN 92 Ca -0.35 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 2jmx n ASN 92 Cb 0.70 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 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 1.85 -0.03 1.70 7.41 0.00 -1.26 -5.07 105.19 109.79 2jmx n GLY 93 Ca -0.31 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 2.85 -1.10 1.61 5.12 -0.45 -4.69 116.66 120.00 2jmx n ARG 94 Ca 0.00 -3.74 -0.18 0.00 -1.93 0.00 0.00 57.85 52.00 2jmx n ARG 94 Cb 0.00 -2.10 0.19 0.00 -1.16 0.00 0.00 32.46 29.39 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 -0.88 5.94 -0.04 0.55 4.77 -1.25 -3.84 117.00 122.25 2jmx n LEU 95 Ca 0.41 -3.67 -0.09 0.00 -0.03 0.00 0.00 56.01 52.63 2jmx n LEU 95 Cb 0.90 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2jmx n LEU 95 CO 0.35 1.12 -0.63 0.35 -1.33 0.00 0.00 177.39 177.26 2jmx n THR 96 N -1.14 0.99 -1.35 -5.08 -2.24 -1.26 -4.64 114.28 99.56 2jmx n THR 96 Ca 0.52 0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 62.07 2jmx n THR 96 Cb 1.48 -1.79 0.13 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.72 5.50 -0.23 3.42 3.02 -1.26 -4.70 115.26 117.29 2jmx n ASN 97 Ca -0.16 -3.72 0.10 0.00 -0.03 0.00 0.00 54.58 50.77 2jmx n ASN 97 Cb 0.47 -0.85 0.37 0.00 -0.61 0.00 0.00 39.78 39.15 2jmx n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmx h THR 98 N 1.07 0.92 -0.69 3.41 1.03 -1.82 -1.14 112.91 115.69 2jmx h THR 98 Ca 0.57 -0.25 0.01 0.00 -0.01 0.00 0.00 66.41 66.73 2jmx h THR 98 Cb 1.75 0.14 -0.03 0.00 -1.07 0.00 0.00 68.15 68.94 2jmx h THR 98 CO 1.25 0.13 0.45 1.55 -0.01 0.00 0.00 175.52 178.89 2jmx h PRO 99 N 0.72 0.91 -0.47 0.00 0.13 -1.90 -1.06 132.00 130.32 2jmx h PRO 99 Ca 0.39 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.45 2jmx h PRO 99 Cb 0.52 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 2jmx h PRO 99 CO -0.15 0.60 0.26 0.00 -0.23 0.00 0.00 178.00 178.48 2jmx h ALA 100 N 1.57 1.57 -0.61 -0.56 0.00 -1.59 -0.42 119.26 119.23 2jmx h ALA 100 Ca 0.25 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2jmx h ALA 100 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2jmx h ALA 100 CO -0.05 0.36 0.08 0.28 0.00 0.00 0.00 179.25 179.92 2jmx h VAL 101 N 0.65 1.26 0.01 0.00 2.07 -1.13 -2.94 116.25 116.17 2jmx h VAL 101 Ca 0.17 -1.02 -0.21 0.00 0.82 0.00 0.00 66.70 66.46 2jmx h VAL 101 Cb 0.01 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2jmx h VAL 101 CO -0.03 0.38 -0.93 0.40 0.02 0.00 0.00 177.57 177.41 2jmx h ILE 102 N 0.93 1.48 -0.50 4.57 2.04 -1.15 -3.28 117.51 121.59 2jmx h ILE 102 Ca 0.18 -2.63 0.05 0.00 1.00 0.00 0.00 64.86 63.46 2jmx h ILE 102 Cb 0.44 2.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 2jmx h ILE 102 CO 0.01 0.77 0.25 -1.28 0.00 0.00 0.00 178.15 177.91 2jmx h SER 103 N 0.14 0.36 -0.52 1.72 0.87 -0.93 -0.45 113.55 114.74 2jmx h SER 103 Ca -0.06 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.59 2jmx h SER 103 Cb 1.57 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.47 2jmx h SER 103 CO 0.15 0.25 0.35 0.00 -0.53 0.00 0.00 176.83 177.04 2jmx h ALA 104 N 1.28 1.92 -0.46 6.23 0.00 -1.59 -1.85 119.26 124.79 2jmx h ALA 104 Ca 0.22 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2jmx h ALA 104 Cb 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2jmx h ALA 104 CO -0.16 -0.01 0.18 0.35 0.00 0.00 0.00 179.25 179.60 2jmx h PHE 105 N 0.44 0.32 -0.11 0.00 3.04 -1.13 0.85 116.94 120.33 2jmx h PHE 105 Ca 0.23 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.13 2jmx h PHE 105 Cb 0.34 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 2jmx h PHE 105 CO -0.00 0.12 -0.25 0.77 -2.02 0.00 0.00 178.31 176.93 2jmx h SER 106 N 0.36 0.20 -0.10 0.41 0.02 -1.24 0.64 113.55 113.84 2jmx h SER 106 Ca 0.21 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 2jmx h SER 106 Cb 0.20 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2jmx h SER 106 CO -0.21 0.46 -0.33 0.74 -1.14 0.00 0.00 176.83 176.35 2jmx h THR 107 N 0.18 1.40 0.01 -2.27 2.02 -0.89 -2.53 112.91 110.83 2jmx h THR 107 Ca 0.03 -1.68 -0.21 0.00 0.77 0.00 0.00 66.41 65.32 2jmx h THR 107 Cb 0.55 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2jmx h THR 107 CO 0.04 0.49 -0.92 -0.03 0.37 0.00 0.00 175.52 175.47 2jmx h MET 108 N -0.05 0.24 -0.94 6.66 1.85 -0.80 -3.12 114.93 118.78 2jmx h MET 108 Ca -0.01 -0.28 0.10 0.00 -0.61 0.00 0.00 59.70 58.90 2jmx h MET 108 Cb 0.96 0.08 -0.07 0.00 0.43 0.00 0.00 31.60 33.01 2jmx h MET 108 CO 0.07 1.01 0.60 1.98 -0.40 0.00 0.00 176.91 180.17 2jmx h MET 109 N 0.13 0.92 -0.27 0.39 -1.53 0.28 0.19 114.93 115.03 2jmx h MET 109 Ca -0.06 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.14 2jmx h MET 109 Cb 1.56 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 32.39 2jmx h MET 109 CO 0.15 0.61 0.13 0.77 0.14 0.00 0.00 176.91 178.70 2jmx h SER 110 N 0.95 0.33 0.79 1.39 0.02 -1.38 -0.47 113.55 115.18 2jmx h SER 110 Ca 0.44 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 2jmx h SER 110 Cb 0.41 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2jmx h SER 110 CO -0.20 0.29 0.00 0.52 -1.14 0.00 0.00 176.83 176.30 2jmx n VAL 111 N -4.44 0.17 0.06 2.27 0.31 0.63 -2.47 118.33 114.86 2jmx n VAL 111 Ca 0.01 0.04 0.01 0.00 -0.01 0.00 0.00 64.34 64.39 2jmx n VAL 111 Cb 0.11 -0.59 -0.05 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.04 3.52 -0.00 -0.63 -3.33 115.15 114.75 2jmx h HIS 112 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 60.01 2jmx h HIS 112 Cb 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.75 2jmx h HIS 112 CO 0.00 0.54 -2.18 -2.13 -0.00 0.00 0.00 177.93 174.16 2jmx n ARG 113 N -2.97 0.69 -0.27 5.12 0.63 -1.18 -2.38 116.66 116.30 2jmx n ARG 113 Ca -0.06 0.17 0.02 0.00 -0.92 0.00 0.00 57.85 57.06 2jmx n ARG 113 Cb 0.80 -1.62 0.23 0.00 0.45 0.00 0.00 32.46 32.32 2jmx n ARG 113 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2jmx h GLY 114 N 2.47 1.19 0.22 5.14 0.00 -1.66 -2.74 103.07 107.68 2jmx h GLY 114 Ca -0.47 -0.42 -0.38 0.00 0.00 0.00 0.00 47.33 46.06 2jmx h GLY 114 CO 0.02 0.37 -2.30 -2.21 0.00 0.00 0.00 176.54 172.42 2jmx n GLU 115 N -4.44 0.69 -3.67 4.80 2.13 -1.25 -4.68 120.64 114.21 2jmx n GLU 115 Ca 0.11 0.19 -0.32 0.00 0.66 0.00 0.00 57.16 57.80 2jmx n GLU 115 Cb 0.09 -1.59 -0.08 0.00 0.27 0.00 0.00 31.44 30.13 2jmx n GLU 115 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2jmx n VAL 116 N -3.36 2.57 -0.03 6.31 0.31 -1.00 -4.89 118.33 118.23 2jmx n VAL 116 Ca -0.41 -5.09 -0.16 0.00 -0.01 0.00 0.00 64.34 58.67 2jmx n VAL 116 Cb 1.01 -2.26 -0.08 0.00 -0.91 0.00 0.00 33.84 31.59 2jmx n VAL 116 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jmx h PRO 117 N 5.50 0.56 -6.58 5.55 0.13 -1.68 -3.38 132.00 132.09 2jmx h PRO 117 Ca 0.17 -0.44 -0.64 0.00 -0.87 0.00 0.00 66.00 64.22 2jmx h PRO 117 Cb 0.76 0.09 -0.22 0.00 0.13 0.00 0.00 31.00 31.75 2jmx h PRO 117 CO 0.83 1.06 -0.85 0.00 -0.23 0.00 0.00 178.00 178.81 2jmx s THR 119 N -1.07 2.01 0.00 0.00 2.01 -1.26 -5.20 115.64 112.13 2jmx s THR 119 Ca 0.11 -3.61 0.00 0.00 0.31 0.00 0.00 61.69 58.50 2jmx s THR 119 Cb -0.10 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.07 2jmx s THR 119 CO 0.05 -1.05 0.00 1.33 -0.69 0.00 0.00 174.62 174.26