#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 2.36 -2.62 4.37 0.00 -1.26 -5.16 120.51 118.20 2jmx n ALA 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2jmx n ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.44 1.25 -0.13 0.00 1.02 -1.26 -5.16 119.74 114.03 2jmx s LYS 3 Ca 0.00 -1.37 0.02 0.00 0.02 0.00 0.00 55.97 54.65 2jmx s LYS 3 Cb 0.00 0.36 0.01 0.00 -0.52 0.00 0.00 37.83 37.68 2jmx s LYS 3 CO 0.00 -0.46 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.27 2jmx s LEU 4 N -3.05 1.97 -0.08 3.17 1.43 -1.26 -5.12 118.68 115.73 2jmx s LEU 4 Ca 0.26 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2jmx s LEU 4 Cb 0.04 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.96 2jmx s LEU 4 CO 0.06 0.06 -0.15 -0.69 0.23 0.00 0.00 176.35 175.87 2jmx s VAL 5 N 0.85 1.37 0.05 -1.59 1.01 -1.26 -5.14 120.40 115.69 2jmx s VAL 5 Ca -0.08 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2jmx s VAL 5 Cb -0.15 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2jmx s VAL 5 CO -0.01 0.41 -0.06 -0.13 0.00 0.00 0.00 175.10 175.31 2jmx s ARG 6 N 0.76 0.54 0.23 2.72 0.52 -1.26 -5.13 118.95 117.32 2jmx s ARG 6 Ca -0.12 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 53.93 2jmx s ARG 6 Cb -0.16 -0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.08 2jmx s ARG 6 CO 0.02 0.00 1.15 -1.25 0.02 0.00 0.00 175.30 175.25 2jmx s PRO 7 N -2.12 4.55 -0.10 3.54 0.04 -1.26 -4.98 135.00 134.67 2jmx s PRO 7 Ca -0.06 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2jmx s PRO 7 Cb -0.06 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2jmx s PRO 7 CO -0.02 0.04 1.27 -1.25 0.04 0.00 0.00 177.00 177.08 2jmx s PRO 8 N -0.80 4.28 -0.02 0.56 0.04 -1.26 -5.02 135.00 132.78 2jmx s PRO 8 Ca 0.49 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 63.20 2jmx s PRO 8 Cb -0.32 -3.67 0.01 0.00 0.04 0.00 0.00 34.50 30.55 2jmx s PRO 8 CO 0.39 -0.59 0.11 0.54 0.04 0.00 0.00 177.00 177.48 2jmx s VAL 9 N 2.88 0.03 0.17 -0.36 0.11 -1.26 -5.17 120.40 116.81 2jmx s VAL 9 Ca 0.57 -0.28 0.10 0.00 -2.93 0.00 0.00 61.98 59.44 2jmx s VAL 9 Cb -0.24 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2jmx s VAL 9 CO 0.19 -0.15 -0.18 -1.10 -3.33 0.00 0.00 175.10 170.53 2jmx s GLN 10 N -0.47 1.75 0.00 1.54 1.11 -1.26 -4.86 119.66 117.47 2jmx s GLN 10 Ca -0.06 -1.37 0.00 0.00 0.01 0.00 0.00 55.36 53.95 2jmx s GLN 10 Cb -0.04 -2.01 0.00 0.00 -1.01 0.00 0.00 33.01 29.96 2jmx s GLN 10 CO 0.00 0.43 0.00 -0.89 0.01 0.00 0.00 175.29 174.84 2jmx n ILE 11 N 0.30 0.00 -3.51 1.08 -0.00 -1.26 -4.82 119.36 111.15 2jmx n ILE 11 Ca -0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.32 2jmx n ILE 11 Cb 0.55 0.00 0.02 0.00 -0.00 0.00 0.00 39.64 40.21 2jmx n ILE 11 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jmx n TYR 12 N 0.00 -2.21 0.00 1.39 4.11 -1.26 -4.61 117.16 114.57 2jmx n TYR 12 Ca 0.00 0.92 0.00 0.00 -0.00 0.00 0.00 57.90 58.82 2jmx n TYR 12 Cb 0.00 -2.04 0.00 0.00 -0.00 0.00 0.00 39.34 37.30 2jmx n TYR 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2jmx n GLY 13 N -0.81 3.31 0.49 -7.48 0.00 -1.26 -4.86 105.19 94.59 2jmx n GLY 13 Ca -0.19 -0.74 0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 0.40 -0.86 -0.61 -0.00 -2.02 0.19 117.51 114.61 2jmx h ILE 14 Ca 0.00 -0.05 0.18 0.00 -0.00 0.00 0.00 64.86 64.99 2jmx h ILE 14 Cb 0.00 0.24 -0.06 0.00 -0.00 0.00 0.00 36.82 37.00 2jmx h ILE 14 CO 0.00 0.03 0.57 -0.33 -0.00 0.00 0.00 178.15 178.42 2jmx h GLU 15 N 0.14 0.41 -0.72 2.19 5.08 -1.93 0.13 114.58 119.89 2jmx h GLU 15 Ca 0.62 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.95 2jmx h GLU 15 Cb 2.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.23 2jmx h GLU 15 CO -0.15 0.27 0.41 0.78 -1.00 0.00 0.00 179.01 179.32 2jmx h GLY 16 N 0.43 1.05 1.53 -3.84 0.00 -0.86 -1.51 103.07 99.87 2jmx h GLY 16 Ca 0.44 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.37 2jmx h GLY 16 CO -0.16 0.43 0.18 3.21 0.00 0.00 0.00 176.54 180.21 2jmx h ARG 17 N 1.00 0.00 -0.95 4.80 3.08 -0.85 -1.56 114.38 119.89 2jmx h ARG 17 Ca 0.26 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.45 2jmx h ARG 17 Cb -0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.96 2jmx h ARG 17 CO -0.04 0.00 0.60 1.88 -1.07 0.00 0.00 179.97 181.34 2jmx h TYR 18 N 0.00 0.98 -0.12 3.04 -1.99 -1.31 1.15 116.97 118.71 2jmx h TYR 18 Ca 0.08 0.03 -0.23 0.00 2.00 0.00 0.00 58.73 60.62 2jmx h TYR 18 Cb 0.45 -0.31 0.01 0.00 2.00 0.00 0.00 36.73 38.88 2jmx h TYR 18 CO 0.00 0.35 -0.82 0.00 -0.00 0.00 0.00 178.16 177.69 2jmx h ALA 19 N 1.58 0.32 -0.01 3.88 0.00 -1.45 -2.34 119.26 121.25 2jmx h ALA 19 Ca 0.49 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 2jmx h ALA 19 Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jmx h ALA 19 CO -0.25 0.70 -0.84 1.79 0.00 0.00 0.00 179.25 180.65 2jmx h THR 20 N 0.48 1.48 0.00 0.00 1.35 -1.15 0.22 112.91 115.29 2jmx h THR 20 Ca -0.06 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 2jmx h THR 20 Cb 1.44 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 2jmx h THR 20 CO 0.16 0.74 0.00 0.00 -0.25 0.00 0.00 175.52 176.17 2jmx h ALA 21 N 1.00 1.00 0.01 6.62 0.00 0.13 0.30 119.26 128.32 2jmx h ALA 21 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.46 2jmx h ALA 21 Cb 1.45 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 2jmx h ALA 21 CO 0.13 0.00 -2.38 -0.11 0.00 0.00 0.00 179.25 176.89 2jmx n LEU 22 N -2.69 2.33 0.13 0.00 7.94 -0.88 -4.24 117.00 119.59 2jmx n LEU 22 Ca 0.03 0.18 0.13 0.00 -1.11 0.00 0.00 56.01 55.24 2jmx n LEU 22 Cb 0.38 -0.88 0.45 0.00 0.53 0.00 0.00 43.42 43.89 2jmx n LEU 22 CO 0.28 0.69 0.88 0.10 -1.11 0.00 0.00 177.39 178.23 2jmx h TYR 23 N -0.60 0.00 -0.97 1.96 -0.00 -0.65 -3.18 116.97 113.53 2jmx h TYR 23 Ca -0.62 0.00 0.19 0.00 0.00 0.00 0.00 58.73 58.30 2jmx h TYR 23 Cb 1.71 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 38.33 2jmx h TYR 23 CO -0.02 0.00 0.57 1.03 -0.00 0.00 0.00 178.16 179.74 2jmx h SER 24 N 0.00 0.72 -0.07 0.10 0.87 -0.56 1.25 113.55 115.85 2jmx h SER 24 Ca 0.00 0.10 -0.21 0.00 -1.23 0.00 0.00 61.79 60.45 2jmx h SER 24 Cb 0.58 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2jmx h SER 24 CO 0.00 0.24 -0.77 0.00 -0.53 0.00 0.00 176.83 175.77 2jmx h ALA 25 N 1.64 0.19 -0.95 6.23 0.00 -1.79 -3.14 119.26 121.43 2jmx h ALA 25 Ca 0.56 -0.61 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2jmx h ALA 25 Cb 0.88 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 2jmx h ALA 25 CO -0.39 0.57 0.61 0.00 0.00 0.00 0.00 179.25 180.03 2jmx h ALA 26 N 0.45 1.56 -0.82 0.00 0.00 -0.13 -1.22 119.26 119.10 2jmx h ALA 26 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2jmx h ALA 26 Cb 1.43 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2jmx h ALA 26 CO 0.16 0.23 0.49 0.66 0.00 0.00 0.00 179.25 180.79 2jmx h SER 27 N 0.97 0.73 -0.55 0.00 4.64 0.13 0.91 113.55 120.38 2jmx h SER 27 Ca 0.45 0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.69 2jmx h SER 27 Cb 0.41 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 2jmx h SER 27 CO -0.21 0.44 -0.11 0.11 -0.87 0.00 0.00 176.83 176.19 2jmx h LYS 28 N 0.85 1.05 -0.00 4.77 1.57 -1.29 -2.55 116.57 120.96 2jmx h LYS 28 Ca 0.38 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jmx h LYS 28 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2jmx h LYS 28 CO -0.21 1.08 -0.04 1.04 -0.57 0.00 0.00 179.45 180.75 2jmx n GLN 29 N -4.14 0.96 -3.16 3.15 6.02 -0.44 -4.92 117.38 114.85 2jmx n GLN 29 Ca 0.02 -0.26 -0.15 0.00 -0.01 0.00 0.00 57.00 56.60 2jmx n GLN 29 Cb 0.41 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.22 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 -0.79 -4.38 -1.10 1.08 2.85 0.29 -4.94 115.26 108.28 2jmx n ASN 30 Ca 0.19 -0.35 0.08 0.00 -0.11 0.00 0.00 54.58 54.39 2jmx n ASN 30 Cb 0.23 -3.40 0.28 0.00 1.24 0.00 0.00 39.78 38.12 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 -3.32 3.34 -0.32 1.20 5.02 0.10 -4.65 118.16 119.54 2jmx n LYS 31 Ca -0.02 -2.77 0.20 0.00 -2.02 0.00 0.00 58.31 53.69 2jmx n LYS 31 Cb 0.55 -1.82 0.46 0.00 -0.02 0.00 0.00 35.03 34.19 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 0.53 -0.13 -0.35 -0.00 -1.93 0.35 115.31 116.27 2jmx h LEU 32 Ca 0.00 0.09 -0.20 0.00 -0.00 0.00 0.00 57.88 57.77 2jmx h LEU 32 Cb 1.41 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.08 2jmx h LEU 32 CO 0.23 0.13 -0.71 -0.08 -0.00 0.00 0.00 178.44 178.01 2jmx h GLU 33 N 0.49 0.72 0.00 1.13 4.22 -1.97 0.82 114.58 119.99 2jmx h GLU 33 Ca 0.59 -0.59 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 2jmx h GLU 33 Cb 1.32 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 2jmx h GLU 33 CO -0.32 1.20 -0.14 1.96 -2.18 0.00 0.00 179.01 179.54 2jmx h GLN 34 N 0.42 0.00 0.00 1.92 1.08 -0.79 -2.36 115.11 115.38 2jmx h GLN 34 Ca -0.05 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.81 2jmx h GLN 34 Cb 1.35 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.71 2jmx h GLN 34 CO 0.15 0.14 -2.29 0.28 -0.95 0.00 0.00 178.83 176.15 2jmx n VAL 35 N -4.25 1.29 0.25 -0.54 0.31 0.51 -3.86 118.33 112.05 2jmx n VAL 35 Ca -0.02 -0.60 0.14 0.00 -0.01 0.00 0.00 64.34 63.85 2jmx n VAL 35 Cb 0.21 -1.04 0.58 0.00 -0.91 0.00 0.00 33.84 32.67 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 0.06 5.55 4.81 0.64 -2.21 114.58 123.44 2jmx h GLU 36 Ca -0.51 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.35 2jmx h GLU 36 Cb 1.91 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.24 2jmx h GLU 36 CO -0.04 0.11 -2.20 1.17 -0.73 0.00 0.00 179.01 177.32 2jmx n LYS 37 N -3.26 0.71 0.03 1.92 4.81 -0.89 -4.00 118.16 117.47 2jmx n LYS 37 Ca 0.00 0.21 -0.08 0.00 -0.87 0.00 0.00 58.31 57.57 2jmx n LYS 37 Cb 0.36 -1.63 0.08 0.00 0.02 0.00 0.00 35.03 33.86 2jmx n LYS 37 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2jmx h GLU 38 N 0.04 0.47 -0.85 1.64 4.39 -1.67 -2.96 114.58 115.64 2jmx h GLU 38 Ca -0.49 -0.30 0.08 0.00 0.34 0.00 0.00 59.36 58.99 2jmx h GLU 38 Cb 1.99 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 30.62 2jmx h GLU 38 CO 0.01 0.90 0.55 -0.07 -1.16 0.00 0.00 179.01 179.25 2jmx h LEU 39 N 0.36 0.79 -1.34 1.33 3.38 -1.58 -0.96 115.31 117.29 2jmx h LEU 39 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.04 2jmx h LEU 39 Cb 1.09 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 2jmx h LEU 39 CO 0.10 0.50 0.49 0.25 0.09 0.00 0.00 178.44 179.86 2jmx h LEU 40 N 0.89 0.71 -1.10 1.67 6.46 -1.65 -1.79 115.31 120.51 2jmx h LEU 40 Ca 0.37 -0.00 0.06 0.00 -0.12 0.00 0.00 57.88 58.19 2jmx h LEU 40 Cb 0.29 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.01 2jmx h LEU 40 CO -0.14 0.47 0.61 -0.09 -0.62 0.00 0.00 178.44 178.67 2jmx h ARG 41 N 0.82 1.06 -0.93 1.25 2.43 -1.24 -1.44 114.38 116.33 2jmx h ARG 41 Ca 0.31 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2jmx h ARG 41 Cb 0.18 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 2jmx h ARG 41 CO -0.10 0.70 0.62 0.28 -1.51 0.00 0.00 179.97 179.96 2jmx h VAL 42 N 1.09 1.21 -0.24 0.20 2.07 -1.36 -0.72 116.25 118.51 2jmx h VAL 42 Ca 0.40 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2jmx h VAL 42 Cb 0.17 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 2jmx h VAL 42 CO -0.15 0.23 -0.01 1.23 0.02 0.00 0.00 177.57 178.88 2jmx h GLY 43 N 1.23 0.47 1.21 2.17 0.00 -1.29 -2.85 103.07 104.01 2jmx h GLY 43 Ca 0.35 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2jmx h GLY 43 CO -0.09 0.33 0.53 -1.61 0.00 0.00 0.00 176.54 175.70 2jmx h GLN 44 N 0.20 1.04 -0.97 4.80 4.15 -0.89 -1.34 115.11 122.09 2jmx h GLN 44 Ca 0.07 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.47 2jmx h GLN 44 Cb 0.44 -0.23 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 2jmx h GLN 44 CO 0.02 0.68 0.63 0.82 -1.93 0.00 0.00 178.83 179.05 2jmx h ILE 45 N 1.07 1.13 0.01 2.39 2.04 -0.92 0.32 117.51 123.54 2jmx h ILE 45 Ca 0.29 -0.41 -0.21 0.00 1.00 0.00 0.00 64.86 65.54 2jmx h ILE 45 Cb -0.11 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 35.81 2jmx h ILE 45 CO -0.07 0.22 -0.91 0.25 0.00 0.00 0.00 178.15 177.64 2jmx h LEU 46 N 1.19 0.35 -0.80 1.44 5.85 -1.18 -3.14 115.31 119.02 2jmx h LEU 46 Ca 0.40 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2jmx h LEU 46 Cb 0.08 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2jmx h LEU 46 CO -0.14 1.09 -0.58 0.50 -0.34 0.00 0.00 178.44 178.97 2jmx h LYS 47 N 0.15 0.05 -6.48 1.25 3.11 -0.51 -3.36 116.57 110.77 2jmx h LYS 47 Ca -0.06 -0.03 -0.61 0.00 -2.81 0.00 0.00 60.65 57.15 2jmx h LYS 47 Cb 1.54 0.00 0.07 0.00 -1.00 0.00 0.00 32.23 32.84 2jmx h LYS 47 CO 0.14 0.62 0.62 0.39 -2.81 0.00 0.00 179.45 178.41 2jmx n GLU 48 N -3.85 1.84 0.17 1.90 1.02 0.10 -4.81 120.64 117.01 2jmx n GLU 48 Ca -0.01 0.66 0.02 0.00 -0.02 0.00 0.00 57.16 57.80 2jmx n GLU 48 Cb 0.59 -2.34 0.30 0.00 -0.02 0.00 0.00 31.44 29.97 2jmx n GLU 48 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jmx h PRO 49 N 4.83 0.00 0.00 3.49 0.13 -1.88 0.38 132.00 138.95 2jmx h PRO 49 Ca -0.45 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.52 2jmx h PRO 49 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2jmx h PRO 49 CO 0.80 0.45 -0.80 0.87 -0.23 0.00 0.00 178.00 179.10 2jmx h LYS 50 N 0.00 0.00 -0.28 0.86 6.56 -1.93 -3.30 116.57 118.48 2jmx h LYS 50 Ca -0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 2jmx h LYS 50 Cb 0.82 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.44 2jmx h LYS 50 CO 0.06 0.71 -0.01 -0.12 -2.06 0.00 0.00 179.45 178.03 2jmx n MET 51 N -3.26 2.50 -0.12 3.15 1.56 -1.06 -4.59 117.12 115.29 2jmx n MET 51 Ca 0.00 -2.92 -0.26 0.00 -0.27 0.00 0.00 57.70 54.24 2jmx n MET 51 Cb 0.84 -1.82 -0.11 0.00 2.15 0.00 0.00 33.22 34.28 2jmx n MET 51 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2jmx n ALA 52 N -0.76 1.10 0.22 -5.12 0.00 0.13 -3.26 120.51 112.83 2jmx n ALA 52 Ca 0.25 -0.93 0.06 0.00 0.00 0.00 0.00 53.44 52.82 2jmx n ALA 52 Cb 0.93 -0.09 0.51 0.00 0.00 0.00 0.00 19.45 20.80 2jmx n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmx h ALA 53 N -0.73 1.50 0.21 0.00 0.00 -1.82 -2.81 119.26 115.60 2jmx h ALA 53 Ca -0.60 -0.20 -0.32 0.00 0.00 0.00 0.00 54.91 53.80 2jmx h ALA 53 Cb 1.58 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.36 2jmx h ALA 53 CO -0.32 0.28 -1.46 0.77 0.00 0.00 0.00 179.25 178.52 2jmx h SER 54 N 0.00 0.71 -0.61 0.00 0.02 -1.81 -2.34 113.55 109.52 2jmx h SER 54 Ca -0.00 -0.93 0.01 0.00 -0.84 0.00 0.00 61.79 60.03 2jmx h SER 54 Cb 0.43 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2jmx h SER 54 CO 0.03 1.69 0.41 0.25 -1.14 0.00 0.00 176.83 178.06 2jmx h LEU 55 N 0.03 0.69 -3.67 5.07 5.85 -1.51 -2.70 115.31 119.06 2jmx h LEU 55 Ca -0.27 -0.02 -0.47 0.00 0.84 0.00 0.00 57.88 57.97 2jmx h LEU 55 Cb 2.05 -0.17 -0.31 0.00 0.37 0.00 0.00 40.66 42.60 2jmx h LEU 55 CO 0.22 0.49 -0.34 -0.11 -0.34 0.00 0.00 178.44 178.36 2jmx n LEU 56 N -4.45 5.16 -4.61 2.25 0.00 -1.07 -4.92 117.00 109.35 2jmx n LEU 56 Ca 0.06 -4.43 -0.40 0.00 0.00 0.00 0.00 56.01 51.24 2jmx n LEU 56 Cb 0.06 -0.53 -0.07 0.00 0.00 0.00 0.00 43.42 42.88 2jmx n LEU 56 CO 0.36 1.79 0.32 0.21 0.00 0.00 0.00 177.39 180.06 2jmx s ASN 57 N -3.04 6.48 0.00 1.96 3.84 -0.88 -4.92 114.94 118.38 2jmx s ASN 57 Ca 0.52 0.54 0.17 0.00 0.21 0.00 0.00 52.86 54.30 2jmx s ASN 57 Cb 0.43 -2.31 0.77 0.00 -0.55 0.00 0.00 41.25 39.59 2jmx s ASN 57 CO 0.01 -0.35 1.55 -0.81 -2.79 0.00 0.00 177.10 174.71 2jmx n PRO 58 N 5.66 0.05 -0.08 0.43 -0.04 -1.26 -2.87 135.00 136.90 2jmx n PRO 58 Ca -0.02 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.71 2jmx n PRO 58 Cb 0.49 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.46 0.21 -1.31 0.54 4.02 -1.26 -4.02 117.16 113.88 2jmx n TYR 59 Ca 0.05 -0.11 -0.08 0.00 -0.01 0.00 0.00 57.90 57.76 2jmx n TYR 59 Cb 0.19 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 39.72 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 0.16 2.72 -1.89 -0.72 0.31 -1.14 -5.09 118.33 112.68 2jmx n VAL 60 Ca 0.15 -2.36 0.03 0.00 -0.01 0.00 0.00 64.34 62.15 2jmx n VAL 60 Cb 0.27 -0.35 -0.01 0.00 -0.91 0.00 0.00 33.84 32.84 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 -0.98 -0.48 -0.05 5.55 5.02 -1.26 -3.26 118.16 122.71 2jmx n LYS 61 Ca 0.39 0.32 -0.09 0.00 -2.02 0.00 0.00 58.31 56.91 2jmx n LYS 61 Cb 1.21 -0.59 -0.03 0.00 -0.02 0.00 0.00 35.03 35.60 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 -1.44 0.32 0.19 1.97 0.63 -1.26 -4.01 116.66 113.07 2jmx n ARG 62 Ca 0.00 0.13 0.16 0.00 -0.92 0.00 0.00 57.85 57.23 2jmx n ARG 62 Cb 0.11 -1.06 0.80 0.00 0.45 0.00 0.00 32.46 32.75 2jmx n ARG 62 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2jmx h SER 63 N -0.59 0.00 0.48 6.15 0.02 -1.96 0.13 113.55 117.77 2jmx h SER 63 Ca -0.13 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.52 2jmx h SER 63 Cb 0.83 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.39 2jmx h SER 63 CO -0.08 0.00 -1.35 0.58 -1.14 0.00 0.00 176.83 174.84 2jmx h VAL 64 N 0.00 1.40 -0.17 2.27 2.07 -1.81 -2.96 116.25 117.05 2jmx h VAL 64 Ca 0.09 -2.91 -0.18 0.00 0.82 0.00 0.00 66.70 64.52 2jmx h VAL 64 Cb 0.46 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2jmx h VAL 64 CO -0.00 0.86 -0.64 0.50 0.02 0.00 0.00 177.57 178.31 2jmx h LYS 65 N 0.10 0.62 -0.44 1.57 3.64 -1.15 -3.11 116.57 117.80 2jmx h LYS 65 Ca -0.19 -0.44 -0.07 0.00 -1.27 0.00 0.00 60.65 58.68 2jmx h LYS 65 Cb 2.06 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.93 2jmx h LYS 65 CO 0.23 1.06 -0.03 -0.24 -2.27 0.00 0.00 179.45 178.20 2jmx h VAL 66 N 0.45 1.24 -0.85 2.00 3.04 -0.90 -2.69 116.25 118.55 2jmx h VAL 66 Ca -0.01 -1.02 -0.00 0.00 -1.01 0.00 0.00 66.70 64.66 2jmx h VAL 66 Cb 1.22 0.94 -0.04 0.00 -2.01 0.00 0.00 31.29 31.40 2jmx h VAL 66 CO 0.12 0.35 0.52 0.50 -1.01 0.00 0.00 177.57 178.06 2jmx h LYS 67 N 0.69 1.14 -0.74 4.17 1.63 -1.46 -2.05 116.57 119.95 2jmx h LYS 67 Ca 0.13 -0.09 0.06 0.00 -0.85 0.00 0.00 60.65 59.90 2jmx h LYS 67 Cb 0.47 -0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 2jmx h LYS 67 CO 0.02 0.78 0.48 1.03 -3.45 0.00 0.00 179.45 178.32 2jmx h SER 68 N 1.16 0.69 -0.44 4.20 0.87 -1.42 -0.34 113.55 118.27 2jmx h SER 68 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 2jmx h SER 68 Cb -0.07 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 2jmx h SER 68 CO -0.06 0.45 0.29 -0.07 -0.53 0.00 0.00 176.83 176.90 2jmx h LEU 69 N 0.78 0.51 -0.24 2.23 4.07 -1.38 0.85 115.31 122.13 2jmx h LEU 69 Ca 0.32 -0.02 -0.12 0.00 0.08 0.00 0.00 57.88 58.14 2jmx h LEU 69 Cb 0.24 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 2jmx h LEU 69 CO -0.11 0.37 -0.32 0.77 -1.08 0.00 0.00 178.44 178.08 2jmx h SER 70 N 0.59 0.70 0.95 -0.43 4.64 -1.38 0.20 113.55 118.81 2jmx h SER 70 Ca 0.16 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2jmx h SER 70 Cb -0.06 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 2jmx h SER 70 CO -0.03 1.06 0.00 -0.78 -0.87 0.00 0.00 176.83 176.21 2jmx h ASP 71 N 0.35 0.00 0.04 4.97 1.82 -0.81 -1.18 116.42 121.61 2jmx h ASP 71 Ca 0.03 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.39 2jmx h ASP 71 Cb 0.89 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.88 2jmx h ASP 71 CO 0.07 0.00 -1.49 -0.03 -1.61 0.00 0.00 179.24 176.18 2jmx h MET 72 N 0.00 0.09 -0.79 0.28 4.05 0.98 -3.31 114.93 116.23 2jmx h MET 72 Ca 0.00 -0.15 0.09 0.00 -0.28 0.00 0.00 59.70 59.36 2jmx h MET 72 Cb 0.47 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.28 2jmx h MET 72 CO 0.00 1.07 0.52 1.15 0.23 0.00 0.00 176.91 179.88 2jmx h THR 73 N -0.65 0.96 -0.75 -0.77 2.02 -0.55 0.11 112.91 113.26 2jmx h THR 73 Ca -0.37 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.57 2jmx h THR 73 Cb 1.54 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 2jmx h THR 73 CO -0.11 0.14 0.50 0.00 0.37 0.00 0.00 175.52 176.41 2jmx h ALA 74 N 1.60 1.49 -0.42 6.16 0.00 -1.34 -2.41 119.26 124.34 2jmx h ALA 74 Ca 0.36 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2jmx h ALA 74 Cb 0.42 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2jmx h ALA 74 CO -0.14 0.47 0.04 1.17 0.00 0.00 0.00 179.25 180.79 2jmx n LYS 75 N -4.43 3.39 -0.05 0.00 4.81 -0.16 -4.46 118.16 117.26 2jmx n LYS 75 Ca 0.09 -2.99 0.02 0.00 -0.87 0.00 0.00 58.31 54.55 2jmx n LYS 75 Cb 0.05 -2.00 0.05 0.00 0.02 0.00 0.00 35.03 33.15 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 -0.27 2.49 -3.42 1.64 2.13 0.19 -5.00 120.64 118.40 2jmx n GLU 76 Ca 0.27 -1.55 -0.25 0.00 0.66 0.00 0.00 57.16 56.29 2jmx n GLU 76 Cb 1.06 -1.09 0.02 0.00 0.27 0.00 0.00 31.44 31.70 2jmx n GLU 76 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2jmx n LYS 77 N -0.11 -4.59 -0.00 5.31 5.02 -1.24 -4.96 118.16 117.58 2jmx n LYS 77 Ca 0.04 0.65 -0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2jmx n LYS 77 Cb 0.28 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 29.83 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 -4.35 -2.25 -4.21 2.13 3.72 -1.26 -5.04 117.46 106.21 2jmx n PHE 78 Ca -0.03 -0.01 -0.28 0.00 -0.05 0.00 0.00 57.45 57.09 2jmx n PHE 78 Cb 0.56 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 39.05 2jmx n PHE 78 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2jmx s SER 79 N -1.90 4.44 0.32 4.37 0.01 -1.26 -5.00 113.70 114.68 2jmx s SER 79 Ca 0.01 -1.35 0.25 0.00 1.31 0.00 0.00 55.95 56.16 2jmx s SER 79 Cb -0.00 0.30 1.14 0.00 0.21 0.00 0.00 66.02 67.67 2jmx s SER 79 CO 0.00 -0.93 1.74 1.55 0.41 0.00 0.00 173.24 176.02 2jmx h PRO 80 N 1.05 0.00 -0.29 12.44 0.13 -1.96 -2.51 132.00 140.86 2jmx h PRO 80 Ca -0.40 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.66 2jmx h PRO 80 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2jmx h PRO 80 CO 0.65 0.00 -0.01 1.28 -0.23 0.00 0.00 178.00 179.68 2jmx n LEU 81 N -2.35 3.93 -0.10 1.56 4.77 -1.26 -4.57 117.00 118.98 2jmx n LEU 81 Ca 0.01 -3.30 0.03 0.00 -0.03 0.00 0.00 56.01 52.72 2jmx n LEU 81 Cb 0.17 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 40.72 2jmx n LEU 81 CO 0.17 0.89 0.43 0.41 -1.33 0.00 0.00 177.39 177.96 2jmx n THR 82 N -0.80 0.91 -1.78 -5.08 -1.04 -0.95 -4.68 114.28 100.86 2jmx n THR 82 Ca 0.26 -1.02 -0.08 0.00 -2.04 0.00 0.00 64.05 61.17 2jmx n THR 82 Cb 0.94 0.39 0.12 0.00 -1.82 0.00 0.00 70.33 69.96 2jmx n THR 82 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jmx n SER 83 N -0.60 3.20 0.12 8.00 7.64 -1.26 -4.14 113.62 126.59 2jmx n SER 83 Ca 0.05 -3.84 0.00 0.00 1.01 0.00 0.00 58.87 56.09 2jmx n SER 83 Cb 0.48 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2jmx n SER 83 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jmx n ASN 84 N -0.94 -0.13 0.21 6.43 5.15 -1.26 -4.76 115.26 119.96 2jmx n ASN 84 Ca 0.31 0.40 0.14 0.00 -0.60 0.00 0.00 54.58 54.83 2jmx n ASN 84 Cb 0.82 0.33 0.76 0.00 -0.53 0.00 0.00 39.78 41.17 2jmx n ASN 84 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2jmx h LEU 85 N 0.00 0.00 -1.15 1.20 5.85 -1.84 -0.53 115.31 118.84 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 0.47 -0.29 -0.34 0.00 0.00 178.44 178.28 2jmx h ILE 86 N 0.00 1.22 -0.01 4.05 2.10 -1.86 -2.15 117.51 120.85 2jmx h ILE 86 Ca 0.07 -0.47 -0.00 0.00 1.08 0.00 0.00 64.86 65.54 2jmx h ILE 86 Cb 0.32 0.11 -0.00 0.00 -1.09 0.00 0.00 36.82 36.16 2jmx h ILE 86 CO -0.00 0.23 0.00 0.78 -1.08 0.00 0.00 178.15 178.08 2jmx h ASN 87 N 1.07 0.02 -1.00 2.19 4.21 -1.39 -2.80 115.58 117.88 2jmx h ASN 87 Ca 0.28 -0.24 0.17 0.00 1.21 0.00 0.00 56.30 57.72 2jmx h ASN 87 Cb -0.05 -0.01 -0.10 0.00 -1.12 0.00 0.00 38.32 37.04 2jmx h ASN 87 CO -0.05 0.26 0.61 -0.07 -1.29 0.00 0.00 177.43 176.89 2jmx h LEU 88 N -0.22 0.81 -1.17 1.61 3.38 -1.42 0.54 115.31 118.85 2jmx h LEU 88 Ca 0.00 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2jmx h LEU 88 Cb 0.25 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2jmx h LEU 88 CO 0.00 0.32 0.35 -0.07 0.09 0.00 0.00 178.44 179.13 2jmx h LEU 89 N 0.81 0.82 -3.52 1.67 3.38 -1.15 -2.40 115.31 114.93 2jmx h LEU 89 Ca 0.56 -0.07 -0.24 0.00 0.09 0.00 0.00 57.88 58.22 2jmx h LEU 89 Cb 0.81 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.20 2jmx h LEU 89 CO -0.36 0.68 0.12 0.00 0.09 0.00 0.00 178.44 178.97 2jmx n ALA 90 N -2.44 4.50 -0.10 1.53 0.00 0.42 -0.90 120.51 123.52 2jmx n ALA 90 Ca 0.06 -2.95 -0.21 0.00 0.00 0.00 0.00 53.44 50.35 2jmx n ALA 90 Cb 0.11 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.01 0.44 -0.98 0.00 2.13 0.16 -4.53 120.64 116.85 2jmx n GLU 91 Ca 0.39 0.18 -0.08 0.00 0.66 0.00 0.00 57.16 58.30 2jmx n GLU 91 Cb 1.19 -1.25 0.17 0.00 0.27 0.00 0.00 31.44 31.83 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 -3.78 2.98 -1.50 4.31 3.02 -1.24 -4.93 115.26 114.12 2jmx n ASN 92 Ca -0.39 -3.80 -0.03 0.00 -0.03 0.00 0.00 54.58 50.32 2jmx n ASN 92 Cb 0.80 -0.62 0.02 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.07 0.30 1.89 7.41 0.00 -1.26 -4.97 105.19 107.48 2jmx n GLY 93 Ca 0.36 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.63 2.29 -1.96 1.61 5.12 -0.08 -4.61 116.66 117.40 2jmx n ARG 94 Ca -0.05 -3.21 -0.34 0.00 -1.93 0.00 0.00 57.85 52.32 2jmx n ARG 94 Cb 0.53 -2.09 0.04 0.00 -1.16 0.00 0.00 32.46 29.78 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 -1.07 6.56 0.08 0.55 4.77 -1.15 -3.91 117.00 122.83 2jmx n LEU 95 Ca 0.51 -4.82 0.00 0.00 -0.03 0.00 0.00 56.01 51.66 2jmx n LEU 95 Cb 1.23 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2jmx n LEU 95 CO 0.49 1.87 -0.05 0.35 -1.33 0.00 0.00 177.39 178.72 2jmx n THR 96 N -0.61 0.45 -0.84 -5.08 -2.24 -1.26 -4.79 114.28 99.90 2jmx n THR 96 Ca 0.51 0.15 0.04 0.00 -2.27 0.00 0.00 64.05 62.48 2jmx n THR 96 Cb 0.50 -1.01 0.37 0.00 -2.10 0.00 0.00 70.33 68.10 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 -3.33 5.42 -0.24 3.42 3.02 -1.26 -4.64 115.26 117.64 2jmx n ASN 97 Ca 0.00 -2.95 0.03 0.00 -0.03 0.00 0.00 54.58 51.63 2jmx n ASN 97 Cb 0.05 -0.69 0.12 0.00 -0.61 0.00 0.00 39.78 38.65 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 3.61 0.37 -0.43 3.41 2.02 -1.87 0.12 112.91 120.14 2jmx h THR 98 Ca 0.05 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 2jmx h THR 98 Cb 2.00 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 2jmx h THR 98 CO 0.52 0.01 0.08 1.55 0.37 0.00 0.00 175.52 178.05 2jmx h PRO 99 N 0.07 0.65 -0.82 6.66 0.13 -1.93 -2.21 132.00 134.55 2jmx h PRO 99 Ca 0.37 -0.13 0.05 0.00 -0.87 0.00 0.00 66.00 65.42 2jmx h PRO 99 Cb 0.62 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.60 2jmx h PRO 99 CO -0.65 0.61 0.54 0.00 -0.23 0.00 0.00 178.00 178.28 2jmx h ALA 100 N 1.46 1.56 -0.58 -0.56 0.00 -1.11 -1.30 119.26 118.74 2jmx h ALA 100 Ca 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2jmx h ALA 100 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jmx h ALA 100 CO 0.00 0.33 0.03 0.28 0.00 0.00 0.00 179.25 179.89 2jmx h VAL 101 N 0.94 1.26 -0.52 0.00 2.07 -1.04 -2.78 116.25 116.18 2jmx h VAL 101 Ca 0.34 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2jmx h VAL 101 Cb 0.15 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2jmx h VAL 101 CO -0.12 0.39 0.18 0.40 0.02 0.00 0.00 177.57 178.45 2jmx h ILE 102 N 0.91 1.20 -0.79 4.57 2.04 -1.10 -2.59 117.51 121.75 2jmx h ILE 102 Ca 0.17 -0.66 0.08 0.00 1.00 0.00 0.00 64.86 65.45 2jmx h ILE 102 Cb 0.49 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 2jmx h ILE 102 CO 0.02 0.25 0.45 -1.28 0.00 0.00 0.00 178.15 177.60 2jmx h SER 103 N 0.75 0.66 -0.51 1.72 0.87 -1.15 -0.08 113.55 115.82 2jmx h SER 103 Ca 0.18 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2jmx h SER 103 Cb 0.19 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2jmx h SER 103 CO -0.01 0.40 0.30 0.00 -0.53 0.00 0.00 176.83 176.99 2jmx h ALA 104 N 1.42 1.53 -0.88 6.23 0.00 -1.49 -2.20 119.26 123.87 2jmx h ALA 104 Ca 0.37 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2jmx h ALA 104 Cb 0.28 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 2jmx h ALA 104 CO -0.22 0.40 0.54 0.35 0.00 0.00 0.00 179.25 180.33 2jmx h PHE 105 N 0.73 1.00 -0.36 0.00 3.04 -0.93 0.65 116.94 121.07 2jmx h PHE 105 Ca 0.19 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 62.02 2jmx h PHE 105 Cb 0.01 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.19 2jmx h PHE 105 CO 0.00 0.48 -0.35 0.66 -2.02 0.00 0.00 178.31 177.08 2jmx h SER 106 N 0.97 0.89 0.28 0.41 4.64 -1.25 0.18 113.55 119.67 2jmx h SER 106 Ca 0.39 -0.39 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2jmx h SER 106 Cb 0.23 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2jmx h SER 106 CO -0.19 1.15 -0.86 0.74 -0.87 0.00 0.00 176.83 176.80 2jmx h THR 107 N 0.70 1.39 -0.03 2.95 2.02 -1.07 -3.06 112.91 115.80 2jmx h THR 107 Ca 0.07 -2.32 -0.19 0.00 0.77 0.00 0.00 66.41 64.74 2jmx h THR 107 Cb 0.92 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.61 2jmx h THR 107 CO 0.08 0.70 -0.81 0.24 0.37 0.00 0.00 175.52 176.10 2jmx h MET 108 N 0.26 0.30 -0.96 6.66 2.07 0.35 -3.13 114.93 120.48 2jmx h MET 108 Ca -0.06 -0.28 0.05 0.00 -2.07 0.00 0.00 59.70 57.33 2jmx h MET 108 Cb 1.48 0.07 -0.06 0.00 -1.87 0.00 0.00 31.60 31.22 2jmx h MET 108 CO 0.15 0.96 0.63 1.98 1.07 0.00 0.00 176.91 181.70 2jmx h MET 109 N 0.19 1.14 -0.45 1.72 -1.53 -0.62 -0.63 114.93 114.74 2jmx h MET 109 Ca -0.04 -0.07 0.08 0.00 -3.44 0.00 0.00 59.70 56.23 2jmx h MET 109 Cb 1.41 -0.26 -0.02 0.00 -0.55 0.00 0.00 31.60 32.18 2jmx h MET 109 CO 0.13 0.75 0.31 0.77 0.14 0.00 0.00 176.91 179.01 2jmx h SER 110 N 1.17 0.24 0.90 1.39 0.02 -1.48 0.81 113.55 116.61 2jmx h SER 110 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2jmx h SER 110 Cb 0.07 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2jmx h SER 110 CO -0.13 0.15 0.00 0.52 -1.14 0.00 0.00 176.83 176.23 2jmx n VAL 111 N -4.47 0.11 0.07 2.27 0.31 -0.26 -2.67 118.33 113.70 2jmx n VAL 111 Ca 0.07 0.03 0.04 0.00 -0.01 0.00 0.00 64.34 64.47 2jmx n VAL 111 Cb 0.33 -0.56 -0.04 0.00 -0.91 0.00 0.00 33.84 32.66 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 0.01 3.52 -0.00 -0.70 -3.37 115.15 114.61 2jmx h HIS 112 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 60.03 2jmx h HIS 112 Cb 0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.80 2jmx h HIS 112 CO 0.00 0.35 -2.15 -2.13 -0.00 0.00 0.00 177.93 174.01 2jmx n ARG 113 N -2.84 0.67 -0.06 5.12 0.63 -1.16 -4.21 116.66 114.82 2jmx n ARG 113 Ca -0.05 0.12 0.02 0.00 -0.92 0.00 0.00 57.85 57.01 2jmx n ARG 113 Cb 0.72 -1.62 0.34 0.00 0.45 0.00 0.00 32.46 32.36 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 3.54 0.70 -6.41 5.14 0.00 -1.69 -3.31 103.07 101.04 2jmx h GLY 114 Ca -0.46 -0.30 -0.60 0.00 0.00 0.00 0.00 47.33 45.98 2jmx h GLY 114 CO 0.04 0.29 -0.74 -2.21 0.00 0.00 0.00 176.54 173.92 2jmx n GLU 115 N -4.41 1.67 -3.83 4.80 0.00 -1.26 -5.07 120.64 112.54 2jmx n GLU 115 Ca 0.04 -4.14 -0.12 0.00 0.00 0.00 0.00 57.16 52.94 2jmx n GLU 115 Cb 0.10 -1.98 -0.12 0.00 0.00 0.00 0.00 31.44 29.44 2jmx n GLU 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2jmx s VAL 116 N -1.62 0.01 0.98 6.31 0.11 -1.25 -4.95 120.40 120.00 2jmx s VAL 116 Ca 0.34 -0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 59.13 2jmx s VAL 116 Cb 0.09 -0.23 0.18 0.00 -1.53 0.00 0.00 36.38 34.88 2jmx s VAL 116 CO -0.10 -0.06 1.15 -2.16 -3.33 0.00 0.00 175.10 170.60 2jmx s PRO 117 N -0.16 0.58 -0.07 1.54 0.04 -1.26 -5.06 135.00 130.61 2jmx s PRO 117 Ca -0.02 0.16 -0.03 0.00 0.04 0.00 0.00 61.00 61.14 2jmx s PRO 117 Cb -0.02 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.77 2jmx s PRO 117 CO 0.00 -2.55 0.15 0.00 0.04 0.00 0.00 177.00 174.65 2jmx s THR 119 N 1.01 -0.02 0.00 0.00 2.01 -1.26 -5.37 115.64 112.02 2jmx s THR 119 Ca -0.08 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 60.51 2jmx s THR 119 Cb -0.10 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.43 2jmx s THR 119 CO -0.05 -0.85 0.00 0.55 -0.69 0.00 0.00 174.62 173.58