#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 -3.51 3.13 0.00 -1.26 -5.15 120.51 113.72 2jmx n ALA 2 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 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 0.15 0.00 0.00 0.00 177.50 177.65 2jmx s LYS 3 N -1.48 0.62 -0.03 0.00 1.02 -1.26 -5.15 119.74 113.46 2jmx s LYS 3 Ca 0.00 -0.07 0.06 0.00 0.02 0.00 0.00 55.97 55.98 2jmx s LYS 3 Cb 0.00 -0.67 -0.01 0.00 -0.52 0.00 0.00 37.83 36.63 2jmx s LYS 3 CO 0.00 -0.06 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.64 2jmx s LEU 4 N 0.75 2.03 -0.43 3.17 1.43 -1.26 -5.05 118.68 119.32 2jmx s LEU 4 Ca -0.09 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2jmx s LEU 4 Cb -0.12 -1.18 0.34 0.00 0.03 0.00 0.00 46.19 45.26 2jmx s LEU 4 CO -0.00 0.25 1.06 0.55 0.23 0.00 0.00 176.35 178.44 2jmx n VAL 5 N 2.72 -0.00 0.26 -1.59 3.14 -1.26 -5.01 118.33 116.58 2jmx n VAL 5 Ca -0.16 -2.19 -0.16 0.00 -2.96 0.00 0.00 64.34 58.86 2jmx n VAL 5 Cb 0.52 1.05 -0.08 0.00 -1.06 0.00 0.00 33.84 34.27 2jmx n VAL 5 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2jmx h ARG 6 N 2.89 -0.81 -6.24 1.45 -0.00 -2.05 -3.39 114.38 106.23 2jmx h ARG 6 Ca -0.08 0.05 -0.56 0.00 -0.50 0.00 0.00 59.98 58.89 2jmx h ARG 6 Cb 1.10 0.18 -0.03 0.00 0.00 0.00 0.00 29.97 31.22 2jmx h ARG 6 CO 0.20 -0.54 1.00 -1.25 0.00 0.00 0.00 179.97 179.38 2jmx s PRO 7 N -5.97 4.06 0.13 0.04 0.04 -1.26 -4.91 135.00 127.14 2jmx s PRO 7 Ca -0.17 1.67 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 2jmx s PRO 7 Cb 0.05 -3.89 -0.06 0.00 0.04 0.00 0.00 34.50 30.64 2jmx s PRO 7 CO 0.62 -0.95 1.40 -1.00 0.04 0.00 0.00 177.00 177.11 2jmx h PRO 8 N 9.23 0.78 -3.40 0.56 0.13 -2.04 -3.45 132.00 133.80 2jmx h PRO 8 Ca -0.30 -0.54 -0.23 0.00 -0.87 0.00 0.00 66.00 64.06 2jmx h PRO 8 Cb 1.13 0.08 -0.30 0.00 0.13 0.00 0.00 31.00 32.04 2jmx h PRO 8 CO 0.99 1.16 -0.62 0.14 -0.23 0.00 0.00 178.00 179.44 2jmx s VAL 9 N -3.98 -0.03 0.03 1.56 -7.23 -1.26 -5.02 120.40 104.47 2jmx s VAL 9 Ca -0.10 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2jmx s VAL 9 Cb 0.10 -0.17 0.00 0.00 0.56 0.00 0.00 36.38 36.86 2jmx s VAL 9 CO 0.88 0.04 0.00 1.67 -0.31 0.00 0.00 175.10 177.38 2jmx n GLN 10 N 3.65 0.00 -4.60 4.82 -0.06 -1.26 -5.08 117.38 114.84 2jmx n GLN 10 Ca -0.20 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.50 2jmx n GLN 10 Cb 0.55 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.60 2jmx n GLN 10 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2jmx s ILE 11 N -2.00 2.48 0.31 1.69 -1.09 -1.26 -4.62 121.20 116.71 2jmx s ILE 11 Ca 0.00 -1.44 0.00 0.00 -2.23 0.00 0.00 60.65 56.98 2jmx s ILE 11 Cb 0.00 -2.06 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 2jmx s ILE 11 CO 0.00 0.25 0.00 -1.22 -1.23 0.00 0.00 174.94 172.74 2jmx n TYR 12 N 1.33 -2.89 0.00 3.97 4.02 -1.26 -5.09 117.16 117.23 2jmx n TYR 12 Ca -0.17 0.69 0.00 0.00 -0.01 0.00 0.00 57.90 58.41 2jmx n TYR 12 Cb 0.52 1.40 0.00 0.00 -0.02 0.00 0.00 39.34 41.24 2jmx n TYR 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jmx n GLY 13 N 0.74 -0.05 0.37 2.72 0.00 -1.26 -4.92 105.19 102.79 2jmx n GLY 13 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 0.82 -0.25 -0.61 6.09 -2.00 0.21 117.51 121.77 2jmx h ILE 14 Ca 0.00 -0.22 -0.18 0.00 -1.37 0.00 0.00 64.86 63.09 2jmx h ILE 14 Cb 0.00 0.11 -0.00 0.00 0.47 0.00 0.00 36.82 37.40 2jmx h ILE 14 CO 0.00 0.12 -0.55 -0.33 -3.07 0.00 0.00 178.15 174.31 2jmx h GLU 15 N 0.66 0.77 -0.42 2.19 5.08 -2.00 -2.63 114.58 118.23 2jmx h GLU 15 Ca 0.44 -0.49 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2jmx h GLU 15 Cb 0.75 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2jmx h GLU 15 CO -0.20 1.12 -0.06 0.78 -1.00 0.00 0.00 179.01 179.66 2jmx h GLY 16 N 0.81 0.84 2.00 -3.84 0.00 -1.42 -2.48 103.07 98.97 2jmx h GLY 16 Ca 0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 2jmx h GLY 16 CO 0.12 0.60 -0.02 3.21 0.00 0.00 0.00 176.54 180.45 2jmx h ARG 17 N 0.60 0.00 -0.51 4.80 3.08 -0.59 -1.79 114.38 119.96 2jmx h ARG 17 Ca 0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2jmx h ARG 17 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2jmx h ARG 17 CO 0.03 0.02 0.20 1.88 -1.07 0.00 0.00 179.97 181.04 2jmx h TYR 18 N 0.00 0.78 0.07 3.04 -1.99 -1.06 1.17 116.97 118.98 2jmx h TYR 18 Ca -0.00 -0.06 -0.29 0.00 2.00 0.00 0.00 58.73 60.38 2jmx h TYR 18 Cb 0.08 -0.23 0.03 0.00 2.00 0.00 0.00 36.73 38.60 2jmx h TYR 18 CO 0.00 0.65 -1.17 0.00 -0.00 0.00 0.00 178.16 177.64 2jmx h ALA 19 N 1.05 0.05 0.00 3.88 0.00 -1.49 -2.89 119.26 119.86 2jmx h ALA 19 Ca 0.17 -0.75 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2jmx h ALA 19 Cb 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jmx h ALA 19 CO -0.01 0.70 -0.46 1.79 0.00 0.00 0.00 179.25 181.26 2jmx h THR 20 N 0.32 0.97 0.00 0.00 1.35 -1.22 0.15 112.91 114.49 2jmx h THR 20 Ca -0.17 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 2jmx h THR 20 Cb 1.83 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 2jmx h THR 20 CO 0.23 0.45 0.00 0.00 -0.25 0.00 0.00 175.52 175.94 2jmx h ALA 21 N 1.54 1.00 0.02 6.62 0.00 0.14 0.57 119.26 129.14 2jmx h ALA 21 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 2jmx h ALA 21 Cb 1.06 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 2jmx h ALA 21 CO 0.06 0.00 -2.36 -0.11 0.00 0.00 0.00 179.25 176.84 2jmx n LEU 22 N -3.09 2.60 0.15 0.00 7.94 -1.09 -4.22 117.00 119.29 2jmx n LEU 22 Ca 0.04 0.07 0.13 0.00 -1.11 0.00 0.00 56.01 55.14 2jmx n LEU 22 Cb 0.52 -0.92 0.41 0.00 0.53 0.00 0.00 43.42 43.96 2jmx n LEU 22 CO 0.34 0.79 0.88 0.10 -1.11 0.00 0.00 177.39 178.39 2jmx h TYR 23 N -0.31 0.00 -0.98 1.96 -0.00 -0.81 -3.17 116.97 113.65 2jmx h TYR 23 Ca -0.58 0.00 0.21 0.00 0.00 0.00 0.00 58.73 58.36 2jmx h TYR 23 Cb 1.81 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 38.45 2jmx h TYR 23 CO 0.01 0.00 0.62 0.66 -0.00 0.00 0.00 178.16 179.45 2jmx h SER 24 N 0.00 0.60 0.00 0.10 4.64 -1.04 1.31 113.55 119.16 2jmx h SER 24 Ca 0.00 0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 61.14 2jmx h SER 24 Cb 0.68 -0.03 0.02 0.00 -0.31 0.00 0.00 62.40 62.76 2jmx h SER 24 CO 0.00 0.20 -1.02 0.00 -0.87 0.00 0.00 176.83 175.14 2jmx h ALA 25 N 1.63 0.12 -0.89 5.18 0.00 -1.79 -3.17 119.26 120.35 2jmx h ALA 25 Ca 0.55 -0.69 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2jmx h ALA 25 Cb 1.11 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2jmx h ALA 25 CO -0.31 0.66 0.59 0.00 0.00 0.00 0.00 179.25 180.19 2jmx h ALA 26 N 0.39 1.41 -0.97 0.00 0.00 0.05 -1.89 119.26 118.26 2jmx h ALA 26 Ca -0.13 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2jmx h ALA 26 Cb 1.67 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 2jmx h ALA 26 CO 0.20 0.52 0.62 0.66 0.00 0.00 0.00 179.25 181.24 2jmx h SER 27 N 1.15 0.95 -0.67 0.00 4.64 0.14 0.95 113.55 120.70 2jmx h SER 27 Ca 0.34 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.64 2jmx h SER 27 Cb -0.04 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 2jmx h SER 27 CO -0.09 0.57 0.23 0.11 -0.87 0.00 0.00 176.83 176.78 2jmx h LYS 28 N 1.07 1.05 -0.01 4.77 6.56 -1.36 -2.43 116.57 126.21 2jmx h LYS 28 Ca 0.44 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 2jmx h LYS 28 Cb 0.28 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 2jmx h LYS 28 CO -0.21 0.88 -0.15 1.04 -2.06 0.00 0.00 179.45 178.96 2jmx n GLN 29 N -4.27 1.25 -3.07 3.15 6.02 -0.27 -4.95 117.38 115.24 2jmx n GLN 29 Ca 0.06 -0.76 -0.13 0.00 -0.01 0.00 0.00 57.00 56.16 2jmx n GLN 29 Cb 0.21 -1.48 0.05 0.00 1.02 0.00 0.00 30.24 30.03 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 -0.22 -4.03 -0.98 1.08 5.15 0.31 -4.95 115.26 111.62 2jmx n ASN 30 Ca 0.15 -0.32 0.08 0.00 -0.60 0.00 0.00 54.58 53.89 2jmx n ASN 30 Cb 0.36 -3.10 0.24 0.00 -0.53 0.00 0.00 39.78 36.76 2jmx n ASN 30 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2jmx n LYS 31 N -3.02 3.06 -0.26 1.20 5.02 -0.08 -4.61 118.16 119.47 2jmx n LYS 31 Ca -0.03 -2.46 0.28 0.00 -2.02 0.00 0.00 58.31 54.08 2jmx n LYS 31 Cb 0.55 -1.55 0.66 0.00 -0.02 0.00 0.00 35.03 34.66 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 2.71 0.15 -0.25 -0.35 3.38 -1.91 0.45 115.31 119.48 2jmx h LEU 32 Ca 0.00 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2jmx h LEU 32 Cb 1.06 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2jmx h LEU 32 CO 0.09 0.04 -0.26 -0.33 0.09 0.00 0.00 178.44 178.07 2jmx h GLU 33 N 0.14 0.63 0.00 1.13 5.08 -1.97 1.10 114.58 120.69 2jmx h GLU 33 Ca 0.51 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2jmx h GLU 33 Cb 1.75 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 2jmx h GLU 33 CO -0.09 0.94 -0.12 1.96 -1.00 0.00 0.00 179.01 180.69 2jmx h GLN 34 N 0.34 0.00 0.01 2.33 4.20 -0.51 -1.72 115.11 119.76 2jmx h GLN 34 Ca 0.04 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.36 2jmx h GLN 34 Cb 0.83 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.54 2jmx h GLN 34 CO 0.06 0.12 -2.42 0.28 -0.67 0.00 0.00 178.83 176.20 2jmx n VAL 35 N -3.79 1.51 0.11 -0.54 0.31 -0.25 -3.67 118.33 112.02 2jmx n VAL 35 Ca -0.02 -0.60 -0.01 0.00 -0.01 0.00 0.00 64.34 63.71 2jmx n VAL 35 Cb 0.23 -1.39 0.26 0.00 -0.91 0.00 0.00 33.84 32.03 2jmx n VAL 35 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2jmx h GLU 36 N 0.01 0.19 0.16 5.55 4.81 0.13 -2.23 114.58 123.19 2jmx h GLU 36 Ca -0.56 -0.08 -0.32 0.00 -0.13 0.00 0.00 59.36 58.26 2jmx h GLU 36 Cb 1.93 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.31 2jmx h GLU 36 CO -0.06 0.55 -1.59 0.87 -0.73 0.00 0.00 179.01 178.04 2jmx h LYS 37 N 0.16 0.33 -0.42 1.92 1.57 -1.48 -3.30 116.57 115.35 2jmx h LYS 37 Ca 0.02 -0.57 -0.13 0.00 -1.87 0.00 0.00 60.65 58.10 2jmx h LYS 37 Cb 0.75 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2jmx h LYS 37 CO 0.06 1.22 -0.25 0.93 -0.57 0.00 0.00 179.45 180.85 2jmx h GLU 38 N 0.09 0.88 -0.78 3.15 4.39 -1.63 -2.81 114.58 117.88 2jmx h GLU 38 Ca -0.27 -0.38 0.10 0.00 0.34 0.00 0.00 59.36 59.15 2jmx h GLU 38 Cb 2.06 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 30.63 2jmx h GLU 38 CO 0.18 1.03 0.51 -0.07 -1.16 0.00 0.00 179.01 179.50 2jmx h LEU 39 N 0.76 0.62 -1.52 1.33 3.38 -1.52 -0.51 115.31 117.84 2jmx h LEU 39 Ca 0.10 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.18 2jmx h LEU 39 Cb 0.80 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2jmx h LEU 39 CO 0.07 0.36 0.45 0.25 0.09 0.00 0.00 178.44 179.66 2jmx h LEU 40 N 0.68 0.48 -0.78 1.67 5.85 -1.57 -1.54 115.31 120.11 2jmx h LEU 40 Ca 0.36 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.14 2jmx h LEU 40 Cb 0.50 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2jmx h LEU 40 CO -0.14 0.29 0.48 0.03 -0.34 0.00 0.00 178.44 178.76 2jmx h ARG 41 N 0.53 0.88 -0.82 1.25 2.47 -1.17 -1.39 114.38 116.13 2jmx h ARG 41 Ca 0.31 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.97 2jmx h ARG 41 Cb 0.51 -0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 28.59 2jmx h ARG 41 CO -0.10 0.58 0.46 0.28 0.56 0.00 0.00 179.97 181.75 2jmx h VAL 42 N 0.90 1.23 -0.18 2.04 2.07 -1.36 -1.93 116.25 119.03 2jmx h VAL 42 Ca 0.33 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2jmx h VAL 42 Cb 0.10 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2jmx h VAL 42 CO -0.14 0.26 0.07 1.23 0.02 0.00 0.00 177.57 179.00 2jmx h GLY 43 N 1.16 0.29 0.78 2.17 0.00 -1.19 -2.53 103.07 103.75 2jmx h GLY 43 Ca 0.29 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.53 2jmx h GLY 43 CO -0.05 0.15 0.61 1.46 0.00 0.00 0.00 176.54 178.71 2jmx h GLN 44 N 0.13 1.03 -0.89 4.80 1.08 -0.94 0.25 115.11 120.57 2jmx h GLN 44 Ca 0.06 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2jmx h GLN 44 Cb 0.19 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 2jmx h GLN 44 CO -0.00 0.68 0.59 0.82 -0.95 0.00 0.00 178.83 179.97 2jmx h ILE 45 N 1.06 1.21 0.00 2.54 2.04 -1.00 0.10 117.51 123.47 2jmx h ILE 45 Ca 0.41 -0.41 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 2jmx h ILE 45 Cb 0.22 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2jmx h ILE 45 CO -0.16 0.22 -0.64 0.25 0.00 0.00 0.00 178.15 177.81 2jmx h LEU 46 N 1.19 0.00 -0.72 1.44 5.85 -0.82 -3.15 115.31 119.10 2jmx h LEU 46 Ca 0.33 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.92 2jmx h LEU 46 Cb -0.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2jmx h LEU 46 CO -0.08 0.64 -0.59 0.11 -0.34 0.00 0.00 178.44 178.18 2jmx h LYS 47 N 0.00 0.16 -6.63 1.25 1.57 0.27 -3.38 116.57 109.81 2jmx h LYS 47 Ca -0.01 -0.11 -0.56 0.00 -1.87 0.00 0.00 60.65 58.11 2jmx h LYS 47 Cb 1.43 0.01 0.07 0.00 0.08 0.00 0.00 32.23 33.82 2jmx h LYS 47 CO 0.08 0.70 0.83 0.39 -0.57 0.00 0.00 179.45 180.89 2jmx n GLU 48 N -3.87 2.42 0.07 3.15 -0.58 0.27 -4.83 120.64 117.27 2jmx n GLU 48 Ca -0.02 0.87 -0.05 0.00 -0.42 0.00 0.00 57.16 57.54 2jmx n GLU 48 Cb 0.60 -2.63 0.13 0.00 -0.57 0.00 0.00 31.44 28.97 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 5.50 0.30 0.11 3.49 0.13 -1.89 0.83 132.00 140.48 2jmx h PRO 49 Ca -0.45 -0.18 -0.27 0.00 -0.87 0.00 0.00 66.00 64.23 2jmx h PRO 49 Cb 1.24 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.40 2jmx h PRO 49 CO 0.85 0.76 -1.20 0.87 -0.23 0.00 0.00 178.00 179.06 2jmx h LYS 50 N 0.23 0.35 0.00 0.86 1.57 -1.94 -3.29 116.57 114.34 2jmx h LYS 50 Ca 0.00 -0.53 -0.23 0.00 -1.87 0.00 0.00 60.65 58.02 2jmx h LYS 50 Cb 1.03 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 2jmx h LYS 50 CO 0.09 1.23 -1.25 1.98 -0.57 0.00 0.00 179.45 180.92 2jmx h MET 51 N 0.12 0.00 -0.98 3.15 4.05 -1.79 -3.33 114.93 116.15 2jmx h MET 51 Ca -0.14 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2jmx h MET 51 Cb 1.90 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 32.64 2jmx h MET 51 CO 0.20 0.77 0.63 0.00 0.23 0.00 0.00 176.91 178.75 2jmx h ALA 52 N 1.03 1.44 -0.05 0.39 0.00 0.66 0.29 119.26 123.03 2jmx h ALA 52 Ca -0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jmx h ALA 52 Cb 1.84 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2jmx h ALA 52 CO 0.11 0.40 0.04 0.00 0.00 0.00 0.00 179.25 179.80 2jmx h ALA 53 N 1.48 2.04 0.01 0.00 0.00 -1.67 -2.49 119.26 118.63 2jmx h ALA 53 Ca 0.43 -0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.94 2jmx h ALA 53 Cb 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2jmx h ALA 53 CO -0.17 -0.06 -2.42 0.43 0.00 0.00 0.00 179.25 177.03 2jmx n SER 54 N -4.51 1.99 -0.19 0.00 7.64 -0.42 -3.55 113.62 114.59 2jmx n SER 54 Ca -0.02 -0.04 0.09 0.00 1.01 0.00 0.00 58.87 59.91 2jmx n SER 54 Cb 0.14 -0.52 0.38 0.00 -1.01 0.00 0.00 64.21 63.21 2jmx n SER 54 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2jmx h LEU 55 N -0.12 0.61 -3.90 -3.43 5.85 -0.46 -2.34 115.31 111.52 2jmx h LEU 55 Ca -0.57 0.01 -0.59 0.00 0.84 0.00 0.00 57.88 57.57 2jmx h LEU 55 Cb 1.87 -0.12 -0.39 0.00 0.37 0.00 0.00 40.66 42.39 2jmx h LEU 55 CO -0.11 0.37 -0.38 -0.11 -0.34 0.00 0.00 178.44 177.87 2jmx n LEU 56 N -4.49 5.61 -4.65 2.25 0.00 -0.94 -4.91 117.00 109.87 2jmx n LEU 56 Ca 0.12 -4.69 -0.36 0.00 0.00 0.00 0.00 56.01 51.09 2jmx n LEU 56 Cb 0.31 -0.51 -0.10 0.00 0.00 0.00 0.00 43.42 43.12 2jmx n LEU 56 CO 0.33 1.97 -0.21 0.21 0.00 0.00 0.00 177.39 179.69 2jmx s ASN 57 N -3.13 5.90 0.00 1.96 2.47 -0.88 -4.96 114.94 116.30 2jmx s ASN 57 Ca 0.54 0.10 0.10 0.00 0.42 0.00 0.00 52.86 54.02 2jmx s ASN 57 Cb 0.43 -2.04 0.52 0.00 -1.45 0.00 0.00 41.25 38.71 2jmx s ASN 57 CO -0.00 0.11 1.35 -0.81 -3.72 0.00 0.00 177.10 174.03 2jmx n PRO 58 N 3.96 1.13 -0.04 0.43 -0.04 -1.26 -3.72 135.00 135.45 2jmx n PRO 58 Ca -0.16 -0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 62.97 2jmx n PRO 58 Cb 0.52 -1.17 -0.14 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.46 0.73 0.00 0.54 4.02 -1.26 -4.66 117.16 116.08 2jmx n TYR 59 Ca 0.08 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 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 -3.11 0.00 -2.00 -0.72 0.31 -1.24 -5.02 118.33 106.55 2jmx n VAL 60 Ca -0.27 0.92 0.00 0.00 -0.01 0.00 0.00 64.34 64.98 2jmx n VAL 60 Cb 1.07 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 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 -0.59 -2.08 -0.13 5.55 5.02 -1.26 -4.87 118.16 119.81 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 0.55 -0.05 1.97 0.00 -1.26 -4.29 116.66 113.47 2jmx n ARG 62 Ca 0.00 0.21 -0.18 0.00 -0.00 0.00 0.00 57.85 57.88 2jmx n ARG 62 Cb 0.00 -1.42 -0.13 0.00 0.00 0.00 0.00 32.46 30.90 2jmx n ARG 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jmx n SER 63 N -3.90 1.79 0.03 6.15 2.88 -1.26 -3.85 113.62 115.45 2jmx n SER 63 Ca -0.48 0.11 -0.12 0.00 -1.33 0.00 0.00 58.87 57.05 2jmx n SER 63 Cb 0.88 -0.50 -0.06 0.00 -0.75 0.00 0.00 64.21 63.78 2jmx n SER 63 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2jmx h VAL 64 N 0.04 0.99 -0.91 2.46 2.07 -1.94 -1.87 116.25 117.08 2jmx h VAL 64 Ca -0.47 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.13 2jmx h VAL 64 Cb 2.01 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 2jmx h VAL 64 CO 0.03 0.00 0.59 0.50 0.02 0.00 0.00 177.57 178.71 2jmx h LYS 65 N 0.02 0.94 -0.75 1.57 3.11 -1.76 -1.28 116.57 118.41 2jmx h LYS 65 Ca 0.01 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.75 2jmx h LYS 65 Cb 0.01 -0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 30.99 2jmx h LYS 65 CO -0.02 0.62 0.31 0.28 -2.81 0.00 0.00 179.45 177.84 2jmx h VAL 66 N 0.97 1.25 -0.80 2.00 2.07 -1.52 -2.44 116.25 117.77 2jmx h VAL 66 Ca 0.41 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 67.23 2jmx h VAL 66 Cb 0.32 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 2jmx h VAL 66 CO -0.17 0.32 0.52 0.50 0.02 0.00 0.00 177.57 178.76 2jmx h LYS 67 N 1.08 0.82 -0.85 1.57 3.64 -0.45 -1.41 116.57 120.97 2jmx h LYS 67 Ca 0.25 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.66 2jmx h LYS 67 Cb 0.19 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 2jmx h LYS 67 CO -0.02 0.54 0.55 1.03 -2.27 0.00 0.00 179.45 179.28 2jmx h SER 68 N 0.84 0.80 -0.42 4.20 0.87 -1.22 -1.85 113.55 116.77 2jmx h SER 68 Ca 0.35 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2jmx h SER 68 Cb 0.28 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2jmx h SER 68 CO -0.13 0.50 0.26 -0.07 -0.53 0.00 0.00 176.83 176.86 2jmx h LEU 69 N 0.90 0.51 -0.33 2.23 3.38 -1.28 0.17 115.31 120.88 2jmx h LEU 69 Ca 0.38 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 2jmx h LEU 69 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2jmx h LEU 69 CO -0.14 0.41 0.20 -1.28 0.09 0.00 0.00 178.44 177.72 2jmx h SER 70 N 0.56 0.39 0.76 -0.43 0.87 -1.35 0.86 113.55 115.21 2jmx h SER 70 Ca 0.15 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2jmx h SER 70 Cb -0.01 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2jmx h SER 70 CO -0.03 0.32 -0.06 0.44 -0.53 0.00 0.00 176.83 176.98 2jmx h ASP 71 N 0.43 0.00 0.10 6.23 3.32 -1.08 -1.55 116.42 123.87 2jmx h ASP 71 Ca 0.12 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.89 2jmx h ASP 71 Cb -0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2jmx h ASP 71 CO -0.02 0.06 -1.45 -0.03 -1.72 0.00 0.00 179.24 176.08 2jmx h MET 72 N 0.00 0.21 -0.90 3.56 4.05 0.31 -3.30 114.93 118.87 2jmx h MET 72 Ca -0.00 -0.36 0.13 0.00 -0.28 0.00 0.00 59.70 59.19 2jmx h MET 72 Cb 0.45 0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.31 2jmx h MET 72 CO 0.01 1.17 0.58 1.15 0.23 0.00 0.00 176.91 180.04 2jmx h THR 73 N -0.36 0.88 -0.96 -0.77 2.02 0.88 0.90 112.91 115.50 2jmx h THR 73 Ca -0.32 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.61 2jmx h THR 73 Cb 1.72 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 2jmx h THR 73 CO 0.03 0.14 0.64 0.00 0.37 0.00 0.00 175.52 176.69 2jmx h ALA 74 N 1.58 1.33 0.10 6.16 0.00 -1.38 -1.42 119.26 125.64 2jmx h ALA 74 Ca 0.44 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.98 2jmx h ALA 74 Cb 0.60 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jmx h ALA 74 CO -0.20 0.60 -1.61 0.87 0.00 0.00 0.00 179.25 178.91 2jmx h LYS 75 N 1.28 0.22 0.00 0.00 1.57 -1.06 -3.31 116.57 115.27 2jmx h LYS 75 Ca 0.36 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jmx h LYS 75 Cb -0.10 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2jmx h LYS 75 CO -0.09 1.06 0.00 0.93 -0.57 0.00 0.00 179.45 180.78 2jmx h GLU 76 N 0.06 0.00 -4.89 3.15 4.39 0.98 -3.46 114.58 114.80 2jmx h GLU 76 Ca -0.27 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.13 2jmx h GLU 76 Cb 2.02 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 30.79 2jmx h GLU 76 CO 0.14 0.00 -0.57 1.17 -1.16 0.00 0.00 179.01 178.59 2jmx n LYS 77 N -2.86 -5.94 -0.09 2.33 3.00 -0.56 -4.99 118.16 109.05 2jmx n LYS 77 Ca -0.01 0.67 -0.08 0.00 -0.00 0.00 0.00 58.31 58.89 2jmx n LYS 77 Cb 0.15 -5.20 0.08 0.00 0.00 0.00 0.00 35.03 30.05 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 -4.09 -2.27 -3.47 5.64 3.72 -1.23 -5.04 117.46 110.72 2jmx n PHE 78 Ca -0.09 -0.19 -0.03 0.00 -0.05 0.00 0.00 57.45 57.09 2jmx n PHE 78 Cb 0.58 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 -3.26 1.06 0.00 4.37 3.41 -1.26 -4.99 113.62 112.95 2jmx n SER 79 Ca 0.04 -1.19 0.12 0.00 -0.26 0.00 0.00 58.87 57.58 2jmx n SER 79 Cb 0.16 -0.01 0.64 0.00 -0.26 0.00 0.00 64.21 64.74 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 -0.69 0.44 -0.08 4.33 -0.04 -1.26 -3.06 135.00 134.64 2jmx n PRO 80 Ca 0.00 0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2jmx n PRO 80 Cb 0.06 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.22 2.36 -0.01 1.53 4.77 -1.26 -4.67 117.00 118.50 2jmx n LEU 81 Ca 0.13 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 2jmx n LEU 81 Cb 0.17 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2jmx n LEU 81 CO 0.17 0.62 0.44 0.41 -1.33 0.00 0.00 177.39 177.71 2jmx n THR 82 N -0.87 0.78 -1.70 -5.08 -1.04 -1.17 -4.64 114.28 100.55 2jmx n THR 82 Ca 0.10 -0.79 -0.18 0.00 -2.04 0.00 0.00 64.05 61.14 2jmx n THR 82 Cb 0.49 0.60 0.10 0.00 -1.82 0.00 0.00 70.33 69.70 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 -0.40 4.39 0.15 8.00 7.64 -1.26 -3.99 113.62 128.14 2jmx n SER 83 Ca 0.01 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.10 2jmx n SER 83 Cb 0.33 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2jmx n SER 83 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jmx n ASN 84 N -0.91 -0.69 0.20 6.43 4.13 -1.26 -4.78 115.26 118.37 2jmx n ASN 84 Ca 0.42 0.51 0.15 0.00 1.68 0.00 0.00 54.58 57.34 2jmx n ASN 84 Cb 0.92 0.84 0.77 0.00 -1.54 0.00 0.00 39.78 40.76 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 -1.25 3.41 5.85 -1.82 -0.41 115.31 121.09 2jmx h LEU 85 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 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 0.52 -0.29 -0.34 0.00 0.00 178.44 178.33 2jmx h ILE 86 N 0.00 1.14 -0.04 4.05 2.10 -1.87 -1.72 117.51 121.18 2jmx h ILE 86 Ca 0.08 -0.34 -0.01 0.00 1.08 0.00 0.00 64.86 65.68 2jmx h ILE 86 Cb 0.39 0.07 -0.00 0.00 -1.09 0.00 0.00 36.82 36.18 2jmx h ILE 86 CO -0.00 0.18 -0.00 -1.13 -1.08 0.00 0.00 178.15 176.12 2jmx h ASN 87 N 0.98 0.07 -0.96 2.19 -0.73 -1.38 -2.78 115.58 112.96 2jmx h ASN 87 Ca 0.31 -0.33 0.18 0.00 1.87 0.00 0.00 56.30 58.34 2jmx h ASN 87 Cb 0.01 -0.02 -0.11 0.00 0.27 0.00 0.00 38.32 38.47 2jmx h ASN 87 CO -0.08 0.38 0.56 -0.07 -0.37 0.00 0.00 177.43 177.84 2jmx h LEU 88 N -0.24 0.70 -0.92 0.34 3.38 -1.36 0.74 115.31 117.93 2jmx h LEU 88 Ca 0.01 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2jmx h LEU 88 Cb 0.34 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2jmx h LEU 88 CO 0.00 0.24 0.41 -0.07 0.09 0.00 0.00 178.44 179.11 2jmx h LEU 89 N 0.70 1.07 -3.60 1.67 3.38 -1.14 -2.63 115.31 114.77 2jmx h LEU 89 Ca 0.56 -0.12 -0.29 0.00 0.09 0.00 0.00 57.88 58.12 2jmx h LEU 89 Cb 0.87 -0.27 -0.17 0.00 0.09 0.00 0.00 40.66 41.17 2jmx h LEU 89 CO -0.39 0.89 0.20 0.00 0.09 0.00 0.00 178.44 179.23 2jmx n ALA 90 N -2.42 4.70 -0.12 1.53 0.00 0.38 -1.65 120.51 122.93 2jmx n ALA 90 Ca 0.08 -2.95 -0.22 0.00 0.00 0.00 0.00 53.44 50.35 2jmx n ALA 90 Cb 0.13 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.03 0.55 -0.85 0.00 4.07 0.23 -4.56 120.64 119.06 2jmx n GLU 91 Ca 0.42 0.19 -0.04 0.00 -0.06 0.00 0.00 57.16 57.67 2jmx n GLU 91 Cb 1.27 -1.41 0.19 0.00 -0.06 0.00 0.00 31.44 31.43 2jmx n GLU 91 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2jmx n ASN 92 N -3.69 2.52 -1.89 4.31 3.02 -1.25 -4.93 115.26 113.35 2jmx n ASN 92 Ca -0.45 -3.82 -0.06 0.00 -0.03 0.00 0.00 54.58 50.22 2jmx n ASN 92 Cb 0.89 -0.61 0.03 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.11 0.15 1.88 7.41 0.00 -1.26 -4.96 105.19 107.31 2jmx n GLY 93 Ca 0.32 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2jmx n GLY 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jmx n ARG 94 N -2.15 2.27 -1.03 1.61 3.00 -0.66 -4.54 116.66 115.16 2jmx n ARG 94 Ca -0.10 -3.20 -0.14 0.00 -0.00 0.00 0.00 57.85 54.41 2jmx n ARG 94 Cb 0.56 -2.08 0.21 0.00 0.00 0.00 0.00 32.46 31.15 2jmx n ARG 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2jmx n LEU 95 N -1.08 5.70 -0.07 6.15 4.77 -1.21 -3.93 117.00 127.33 2jmx n LEU 95 Ca 0.51 -3.58 -0.15 0.00 -0.03 0.00 0.00 56.01 52.75 2jmx n LEU 95 Cb 1.25 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 2jmx n LEU 95 CO 0.49 1.07 -0.89 0.35 -1.33 0.00 0.00 177.39 177.07 2jmx n THR 96 N -0.97 1.12 -1.40 -5.08 -2.24 -1.26 -4.58 114.28 99.87 2jmx n THR 96 Ca 0.47 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.87 2jmx n THR 96 Cb 1.40 -1.85 0.10 0.00 -2.10 0.00 0.00 70.33 67.88 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 -3.90 6.13 0.13 3.42 3.02 -1.26 -4.67 115.26 118.14 2jmx n ASN 97 Ca -0.27 -3.75 -0.01 0.00 -0.03 0.00 0.00 54.58 50.52 2jmx n ASN 97 Cb 0.61 -0.85 0.19 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.14 1.41 -0.34 3.41 1.03 -1.81 -3.21 112.91 114.54 2jmx h THR 98 Ca 0.56 -1.97 -0.13 0.00 -0.01 0.00 0.00 66.41 64.86 2jmx h THR 98 Cb 1.40 2.05 -0.01 0.00 -1.07 0.00 0.00 68.15 70.52 2jmx h THR 98 CO 1.30 0.57 -0.31 1.55 -0.01 0.00 0.00 175.52 178.62 2jmx h PRO 99 N 0.03 0.73 -0.87 0.00 0.13 -1.93 -2.91 132.00 127.19 2jmx h PRO 99 Ca -0.01 -0.33 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jmx h PRO 99 Cb 1.03 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 2jmx h PRO 99 CO 0.08 0.94 0.53 0.00 -0.23 0.00 0.00 178.00 179.32 2jmx h ALA 100 N 1.03 1.11 -0.45 -0.56 0.00 -1.92 -1.57 119.26 116.90 2jmx h ALA 100 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jmx h ALA 100 Cb 0.83 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jmx h ALA 100 CO 0.07 0.57 0.28 0.28 0.00 0.00 0.00 179.25 180.45 2jmx h VAL 101 N 1.20 1.12 -0.16 0.00 2.07 -1.53 -2.36 116.25 116.59 2jmx h VAL 101 Ca 0.31 -0.26 -0.21 0.00 0.82 0.00 0.00 66.70 67.36 2jmx h VAL 101 Cb -0.05 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2jmx h VAL 101 CO -0.06 0.13 -0.74 0.40 0.02 0.00 0.00 177.57 177.31 2jmx h ILE 102 N 0.61 1.29 -0.41 4.57 2.04 -1.15 -3.11 117.51 121.35 2jmx h ILE 102 Ca 0.16 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 64.07 2jmx h ILE 102 Cb -0.04 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2jmx h ILE 102 CO -0.03 0.62 0.26 0.28 0.00 0.00 0.00 178.15 179.28 2jmx h SER 103 N 0.52 0.47 -0.59 1.72 0.02 -0.86 -1.73 113.55 113.10 2jmx h SER 103 Ca -0.04 -0.02 0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2jmx h SER 103 Cb 1.36 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 2jmx h SER 103 CO 0.15 0.35 0.40 0.00 -1.14 0.00 0.00 176.83 176.59 2jmx h ALA 104 N 1.14 2.01 -0.89 3.77 0.00 -1.47 -1.43 119.26 122.39 2jmx h ALA 104 Ca 0.15 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2jmx h ALA 104 Cb -0.05 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 2jmx h ALA 104 CO -0.03 -0.14 0.55 0.35 0.00 0.00 0.00 179.25 179.97 2jmx h PHE 105 N 0.41 1.00 -0.53 0.00 3.04 -1.24 0.27 116.94 119.88 2jmx h PHE 105 Ca 0.27 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 62.14 2jmx h PHE 105 Cb 0.53 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 2jmx h PHE 105 CO -0.00 0.45 -0.10 0.77 -2.02 0.00 0.00 178.31 177.42 2jmx h SER 106 N 0.94 1.01 0.00 0.41 0.02 -1.26 -1.33 113.55 113.34 2jmx h SER 106 Ca 0.41 -0.35 -0.15 0.00 -0.84 0.00 0.00 61.79 60.86 2jmx h SER 106 Cb 0.30 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2jmx h SER 106 CO -0.22 1.12 -0.51 0.74 -1.14 0.00 0.00 176.83 176.83 2jmx h THR 107 N 0.88 1.31 -0.27 -2.27 2.02 -1.23 -3.02 112.91 110.34 2jmx h THR 107 Ca 0.14 -1.73 -0.11 0.00 0.77 0.00 0.00 66.41 65.47 2jmx h THR 107 Cb 0.66 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2jmx h THR 107 CO 0.05 0.54 -0.30 0.24 0.37 0.00 0.00 175.52 176.41 2jmx h MET 108 N 0.44 0.55 -1.01 6.66 2.86 -0.34 -2.91 114.93 121.19 2jmx h MET 108 Ca 0.02 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.47 2jmx h MET 108 Cb 1.04 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.62 2jmx h MET 108 CO 0.10 0.79 0.65 1.98 1.06 0.00 0.00 176.91 181.50 2jmx h MET 109 N 0.47 1.19 -0.48 1.72 -1.53 -1.12 -0.72 114.93 114.46 2jmx h MET 109 Ca 0.06 -0.07 0.09 0.00 -3.44 0.00 0.00 59.70 56.34 2jmx h MET 109 Cb 0.77 -0.27 -0.03 0.00 -0.55 0.00 0.00 31.60 31.52 2jmx h MET 109 CO 0.06 0.79 0.33 0.77 0.14 0.00 0.00 176.91 179.00 2jmx h SER 110 N 1.22 0.22 0.79 1.39 0.02 -1.48 0.13 113.55 115.85 2jmx h SER 110 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 2jmx h SER 110 Cb 0.09 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2jmx h SER 110 CO -0.15 0.14 0.00 0.52 -1.14 0.00 0.00 176.83 176.19 2jmx n VAL 111 N -4.46 0.10 0.06 2.27 0.31 -0.29 -2.91 118.33 113.42 2jmx n VAL 111 Ca 0.08 0.03 0.04 0.00 -0.01 0.00 0.00 64.34 64.47 2jmx n VAL 111 Cb 0.38 -0.56 -0.05 0.00 -0.91 0.00 0.00 33.84 32.69 2jmx n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jmx n HIS 112 N -1.42 0.97 -0.05 3.52 -0.00 0.45 -4.25 115.22 114.44 2jmx n HIS 112 Ca 0.09 0.31 -0.08 0.00 -0.00 0.00 0.00 57.72 58.04 2jmx n HIS 112 Cb 0.28 -1.04 -0.14 0.00 -0.00 0.00 0.00 29.99 29.10 2jmx n HIS 112 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2jmx n ARG 113 N -2.80 0.65 0.00 -1.40 0.63 -1.17 -3.60 116.66 108.98 2jmx n ARG 113 Ca -0.06 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2jmx n ARG 113 Cb 0.73 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.95 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 1.60 -2.81 2.29 5.14 0.00 -1.15 -4.49 105.19 105.79 2jmx n GLY 114 Ca -0.22 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2jmx n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jmx n GLU 115 N -1.57 1.19 -2.87 1.61 1.02 -1.26 -4.93 120.64 113.83 2jmx n GLU 115 Ca 0.00 -3.50 -0.12 0.00 -0.02 0.00 0.00 57.16 53.52 2jmx n GLU 115 Cb 0.00 -1.72 0.03 0.00 -0.02 0.00 0.00 31.44 29.74 2jmx n GLU 115 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2jmx n VAL 116 N 0.20 0.25 -0.04 2.62 0.31 -1.24 -4.95 118.33 115.48 2jmx n VAL 116 Ca 0.24 -3.10 -0.15 0.00 -0.01 0.00 0.00 64.34 61.32 2jmx n VAL 116 Cb 0.65 0.53 -0.08 0.00 -0.91 0.00 0.00 33.84 34.03 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 2.85 0.53 -5.65 5.55 0.13 -1.90 -3.45 132.00 130.06 2jmx h PRO 117 Ca -0.05 -0.40 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2jmx h PRO 117 Cb 1.11 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jmx h PRO 117 CO 0.35 1.02 -0.95 0.00 -0.23 0.00 0.00 178.00 178.20 2jmx s THR 119 N -1.58 0.18 0.00 0.00 2.01 -1.26 -5.02 115.64 109.97 2jmx s THR 119 Ca 0.07 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.60 2jmx s THR 119 Cb -0.01 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.29 2jmx s THR 119 CO 0.57 -0.81 0.03 0.52 -0.69 0.00 0.00 174.62 174.23