#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 0.26 -4.27 3.13 0.00 -1.26 -5.17 120.51 113.20 2jmx n ALA 2 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 53.44 52.07 2jmx n ALA 2 Cb 0.00 0.66 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 2jmx n ALA 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jmx n LYS 3 N -0.74 1.47 -4.50 0.00 5.02 -1.26 -5.17 118.16 112.97 2jmx n LYS 3 Ca -0.10 -1.53 -0.24 0.00 -2.02 0.00 0.00 58.31 54.42 2jmx n LYS 3 Cb 0.35 0.39 -0.11 0.00 -0.02 0.00 0.00 35.03 35.65 2jmx n LYS 3 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jmx s LEU 4 N 0.00 2.44 -0.38 -0.35 1.02 -1.26 -5.12 118.68 115.03 2jmx s LEU 4 Ca 0.01 -1.35 0.02 0.00 0.02 0.00 0.00 54.13 52.82 2jmx s LEU 4 Cb -0.00 -0.58 0.15 0.00 0.02 0.00 0.00 46.19 45.78 2jmx s LEU 4 CO 0.01 -0.53 0.31 -0.69 0.02 0.00 0.00 176.35 175.47 2jmx s VAL 5 N -3.07 -0.01 -0.02 -1.59 1.01 -1.26 -5.12 120.40 110.35 2jmx s VAL 5 Ca 0.35 -1.69 0.01 0.00 0.00 0.00 0.00 61.98 60.65 2jmx s VAL 5 Cb 0.09 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.51 2jmx s VAL 5 CO 0.16 -0.89 -0.04 -0.60 0.00 0.00 0.00 175.10 173.73 2jmx s ARG 6 N 0.92 0.50 0.46 2.72 3.52 -1.26 -5.14 118.95 120.68 2jmx s ARG 6 Ca 0.22 -0.12 -0.22 0.00 -0.13 0.00 0.00 55.73 55.48 2jmx s ARG 6 Cb -0.13 -0.53 -0.08 0.00 -1.56 0.00 0.00 34.95 32.65 2jmx s ARG 6 CO -0.05 0.02 1.07 -1.25 -0.81 0.00 0.00 175.30 174.28 2jmx s PRO 7 N 0.34 3.86 0.50 5.12 0.04 -1.26 -5.05 135.00 138.55 2jmx s PRO 7 Ca -0.04 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 2jmx s PRO 7 Cb -0.07 -2.26 0.12 0.00 0.04 0.00 0.00 34.50 32.32 2jmx s PRO 7 CO -0.00 -0.40 0.52 -0.35 0.04 0.00 0.00 177.00 176.80 2jmx n PRO 8 N -0.66 -1.43 -1.40 0.56 -0.04 -1.26 -4.91 135.00 125.85 2jmx n PRO 8 Ca 0.08 -0.82 0.17 0.00 -0.04 0.00 0.00 63.50 62.89 2jmx n PRO 8 Cb 0.51 -0.67 -0.09 0.00 -0.04 0.00 0.00 33.50 33.21 2jmx n PRO 8 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2jmx n VAL 9 N -3.26 -0.82 0.15 0.52 0.31 -1.26 -5.03 118.33 108.93 2jmx n VAL 9 Ca 0.07 0.87 0.00 0.00 -0.01 0.00 0.00 64.34 65.27 2jmx n VAL 9 Cb 0.26 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 2jmx n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jmx n GLN 10 N -4.28 0.00 -2.66 5.55 6.02 -1.26 -5.00 117.38 115.75 2jmx n GLN 10 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.81 2jmx n GLN 10 Cb 0.65 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.94 2jmx n GLN 10 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2jmx n ILE 11 N -3.27 1.19 -3.56 5.09 3.06 -1.26 -4.99 119.36 115.62 2jmx n ILE 11 Ca 0.00 -3.23 -0.27 0.00 -2.50 0.00 0.00 62.75 56.75 2jmx n ILE 11 Cb 0.00 0.55 -0.10 0.00 0.54 0.00 0.00 39.64 40.63 2jmx n ILE 11 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2jmx n TYR 12 N -0.19 1.38 0.00 9.51 4.01 -1.26 -4.59 117.16 126.02 2jmx n TYR 12 Ca 0.12 -3.84 0.00 0.00 -0.16 0.00 0.00 57.90 54.02 2jmx n TYR 12 Cb 0.80 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 2jmx n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jmx n GLY 13 N 2.04 0.56 0.14 2.72 0.00 -1.26 -4.70 105.19 104.68 2jmx n GLY 13 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 2jmx n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jmx n ILE 14 N 0.00 1.78 0.13 -0.61 0.00 -1.26 -3.43 119.36 115.97 2jmx n ILE 14 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 62.75 62.07 2jmx n ILE 14 Cb 0.00 -1.71 0.17 0.00 0.00 0.00 0.00 39.64 38.10 2jmx n ILE 14 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2jmx h GLU 15 N 0.07 0.05 -0.51 9.51 4.57 -1.93 -3.06 114.58 123.28 2jmx h GLU 15 Ca -0.42 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 57.60 2jmx h GLU 15 Cb 2.03 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.61 2jmx h GLU 15 CO 0.09 0.64 -0.15 0.78 -1.18 0.00 0.00 179.01 179.19 2jmx h GLY 16 N 1.73 1.06 2.00 1.92 0.00 -1.81 -2.51 103.07 105.46 2jmx h GLY 16 Ca -0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 2jmx h GLY 16 CO 0.08 0.80 -0.01 3.21 0.00 0.00 0.00 176.54 180.62 2jmx h ARG 17 N 0.86 0.00 -0.99 4.80 3.08 -1.55 -2.30 114.38 118.29 2jmx h ARG 17 Ca 0.13 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.18 2jmx h ARG 17 Cb 0.71 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 2jmx h ARG 17 CO 0.05 0.01 0.64 1.88 -1.07 0.00 0.00 179.97 181.49 2jmx h TYR 18 N 0.00 1.25 0.02 3.04 -1.99 -1.47 1.28 116.97 119.10 2jmx h TYR 18 Ca -0.00 0.02 -0.26 0.00 2.00 0.00 0.00 58.73 60.50 2jmx h TYR 18 Cb 0.05 -0.42 0.02 0.00 2.00 0.00 0.00 36.73 38.39 2jmx h TYR 18 CO 0.00 0.79 -1.01 0.00 -0.00 0.00 0.00 178.16 177.94 2jmx h ALA 19 N 1.37 0.10 -0.01 3.88 0.00 -1.56 -2.11 119.26 120.93 2jmx h ALA 19 Ca 0.36 -0.69 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 2jmx h ALA 19 Cb -0.14 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2jmx h ALA 19 CO -0.08 0.64 -0.74 1.79 0.00 0.00 0.00 179.25 180.87 2jmx h THR 20 N 0.31 1.49 0.00 0.00 1.35 -1.36 0.21 112.91 114.91 2jmx h THR 20 Ca -0.13 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 2jmx h THR 20 Cb 1.68 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 2jmx h THR 20 CO 0.20 0.70 -0.04 0.00 -0.25 0.00 0.00 175.52 176.13 2jmx h ALA 21 N 1.20 0.98 0.03 6.62 0.00 0.16 -0.76 119.26 127.49 2jmx h ALA 21 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.51 2jmx h ALA 21 Cb 1.30 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2jmx h ALA 21 CO 0.10 0.00 -2.27 -0.11 0.00 0.00 0.00 179.25 176.97 2jmx n LEU 22 N -2.64 2.66 0.15 0.00 7.94 -0.79 -4.19 117.00 120.12 2jmx n LEU 22 Ca 0.05 0.07 0.13 0.00 -1.11 0.00 0.00 56.01 55.14 2jmx n LEU 22 Cb 0.48 -0.96 0.40 0.00 0.53 0.00 0.00 43.42 43.87 2jmx n LEU 22 CO 0.32 0.82 0.88 0.10 -1.11 0.00 0.00 177.39 178.40 2jmx h TYR 23 N -0.20 0.00 -0.99 1.96 -0.00 -0.69 -3.20 116.97 113.85 2jmx h TYR 23 Ca -0.54 0.00 0.17 0.00 0.00 0.00 0.00 58.73 58.36 2jmx h TYR 23 Cb 1.85 0.00 -0.10 0.00 0.00 0.00 0.00 36.73 38.49 2jmx h TYR 23 CO 0.03 0.00 0.62 1.03 -0.00 0.00 0.00 178.16 179.84 2jmx h SER 24 N 0.00 0.78 0.11 0.10 0.87 -1.30 1.22 113.55 115.34 2jmx h SER 24 Ca 0.00 0.08 -0.25 0.00 -1.23 0.00 0.00 61.79 60.39 2jmx h SER 24 Cb 0.70 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2jmx h SER 24 CO 0.00 0.32 -1.00 0.00 -0.53 0.00 0.00 176.83 175.62 2jmx h ALA 25 N 1.62 0.21 -0.97 6.23 0.00 -1.79 -3.18 119.26 121.39 2jmx h ALA 25 Ca 0.55 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jmx h ALA 25 Cb 0.82 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2jmx h ALA 25 CO -0.33 0.73 0.62 0.00 0.00 0.00 0.00 179.25 180.27 2jmx h ALA 26 N 0.52 1.28 -0.97 0.00 0.00 -0.39 -2.19 119.26 117.51 2jmx h ALA 26 Ca -0.11 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.78 2jmx h ALA 26 Cb 1.65 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2jmx h ALA 26 CO 0.19 0.65 0.62 0.66 0.00 0.00 0.00 179.25 181.38 2jmx h SER 27 N 1.32 1.00 -0.66 0.00 4.64 0.13 0.39 113.55 120.37 2jmx h SER 27 Ca 0.35 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.73 2jmx h SER 27 Cb -0.12 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.72 2jmx h SER 27 CO -0.07 0.65 0.44 0.11 -0.87 0.00 0.00 176.83 177.09 2jmx h LYS 28 N 1.15 0.71 -0.59 4.77 1.57 -1.39 -2.02 116.57 120.76 2jmx h LYS 28 Ca 0.41 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2jmx h LYS 28 Cb 0.13 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2jmx h LYS 28 CO -0.16 0.47 0.00 1.04 -0.57 0.00 0.00 179.45 180.23 2jmx n GLN 29 N -4.47 3.13 -3.28 3.15 6.02 -0.46 -4.96 117.38 116.52 2jmx n GLN 29 Ca 0.09 -2.62 -0.17 0.00 -0.01 0.00 0.00 57.00 54.29 2jmx n GLN 29 Cb 0.18 -1.63 0.07 0.00 1.02 0.00 0.00 30.24 29.87 2jmx n GLN 29 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jmx n ASN 30 N 1.09 -4.23 -0.59 1.08 5.15 0.26 -4.93 115.26 113.09 2jmx n ASN 30 Ca 0.22 -0.45 0.10 0.00 -0.60 0.00 0.00 54.58 53.86 2jmx n ASN 30 Cb 0.69 -4.09 0.02 0.00 -0.53 0.00 0.00 39.78 35.88 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 -3.83 1.56 -0.39 1.20 4.01 0.11 -4.50 118.16 116.32 2jmx n LYS 31 Ca -0.08 -1.21 0.32 0.00 -0.51 0.00 0.00 58.31 56.83 2jmx n LYS 31 Cb 0.58 -1.43 0.63 0.00 -0.51 0.00 0.00 35.03 34.30 2jmx n LYS 31 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2jmx h LEU 32 N 2.89 0.26 -0.25 -0.35 3.38 -1.90 0.96 115.31 120.30 2jmx h LEU 32 Ca 0.00 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2jmx h LEU 32 Cb 0.77 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2jmx h LEU 32 CO 0.00 -0.02 -0.27 -0.33 0.09 0.00 0.00 178.44 177.91 2jmx h GLU 33 N 0.18 0.63 0.00 1.13 4.39 -1.96 1.07 114.58 120.02 2jmx h GLU 33 Ca 0.68 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 2jmx h GLU 33 Cb 2.15 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.82 2jmx h GLU 33 CO -0.25 0.94 -0.04 1.96 -1.16 0.00 0.00 179.01 180.46 2jmx h GLN 34 N 0.35 0.00 0.00 2.33 4.20 0.47 -2.65 115.11 119.81 2jmx h GLN 34 Ca 0.04 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.39 2jmx h GLN 34 Cb 0.84 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.55 2jmx h GLN 34 CO 0.07 0.04 -2.36 0.28 -0.67 0.00 0.00 178.83 176.19 2jmx n VAL 35 N -3.19 1.37 0.17 -0.54 0.31 0.85 -3.85 118.33 113.44 2jmx n VAL 35 Ca -0.00 -0.59 0.03 0.00 -0.01 0.00 0.00 64.34 63.77 2jmx n VAL 35 Cb 0.28 -1.17 0.29 0.00 -0.91 0.00 0.00 33.84 32.33 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 0.08 5.55 4.22 0.11 -2.19 114.58 122.35 2jmx h GLU 36 Ca -0.53 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 58.59 2jmx h GLU 36 Cb 1.91 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.13 2jmx h GLU 36 CO -0.06 0.45 -1.76 -0.22 -2.18 0.00 0.00 179.01 175.25 2jmx h LYS 37 N 0.00 0.16 -0.03 1.92 3.64 -1.65 -3.31 116.57 117.30 2jmx h LYS 37 Ca -0.00 -0.28 -0.24 0.00 -1.27 0.00 0.00 60.65 58.86 2jmx h LYS 37 Cb 0.91 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2jmx h LYS 37 CO 0.06 0.92 -0.94 0.93 -2.27 0.00 0.00 179.45 178.15 2jmx h GLU 38 N 0.04 0.61 -0.85 1.90 3.07 -1.66 -3.11 114.58 114.57 2jmx h GLU 38 Ca -0.32 -0.61 0.14 0.00 -0.50 0.00 0.00 59.36 58.08 2jmx h GLU 38 Cb 2.02 0.16 -0.06 0.00 -0.84 0.00 0.00 28.75 30.03 2jmx h GLU 38 CO 0.11 1.22 0.55 -0.07 -1.40 0.00 0.00 179.01 179.42 2jmx h LEU 39 N 0.36 0.58 -1.54 1.33 4.07 -1.55 0.52 115.31 119.09 2jmx h LEU 39 Ca -0.09 0.03 0.10 0.00 0.08 0.00 0.00 57.88 58.00 2jmx h LEU 39 Cb 1.58 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 43.19 2jmx h LEU 39 CO 0.18 0.30 0.44 0.25 -1.08 0.00 0.00 178.44 178.53 2jmx h LEU 40 N 0.62 0.46 -0.96 1.67 6.46 -1.63 -1.41 115.31 120.53 2jmx h LEU 40 Ca 0.43 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 58.24 2jmx h LEU 40 Cb 0.75 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.54 2jmx h LEU 40 CO -0.18 0.27 0.62 0.03 -0.62 0.00 0.00 178.44 178.57 2jmx h ARG 41 N 0.51 1.16 -0.77 1.25 2.47 -1.00 -1.50 114.38 116.51 2jmx h ARG 41 Ca 0.31 -0.07 0.03 0.00 -1.26 0.00 0.00 59.98 58.99 2jmx h ARG 41 Cb 0.53 -0.26 -0.04 0.00 -1.65 0.00 0.00 29.97 28.55 2jmx h ARG 41 CO -0.10 0.77 0.51 0.28 0.56 0.00 0.00 179.97 181.99 2jmx h VAL 42 N 1.20 1.15 -0.20 2.04 2.07 -1.33 -1.65 116.25 119.53 2jmx h VAL 42 Ca 0.38 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 2jmx h VAL 42 Cb 0.02 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 2jmx h VAL 42 CO -0.13 0.18 0.04 1.23 0.02 0.00 0.00 177.57 178.91 2jmx h GLY 43 N 0.98 0.35 0.82 2.17 0.00 -1.28 -2.71 103.07 103.40 2jmx h GLY 43 Ca 0.30 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.45 2jmx h GLY 43 CO -0.08 0.21 0.66 -1.61 0.00 0.00 0.00 176.54 175.72 2jmx h GLN 44 N 0.13 1.20 -0.96 4.80 4.15 -0.97 0.49 115.11 123.96 2jmx h GLN 44 Ca 0.06 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.46 2jmx h GLN 44 Cb 0.30 -0.27 -0.06 0.00 0.21 0.00 0.00 27.48 27.65 2jmx h GLN 44 CO 0.00 0.79 0.62 0.82 -1.93 0.00 0.00 178.83 179.14 2jmx h ILE 45 N 1.24 1.11 0.00 2.39 2.04 -1.07 0.14 117.51 123.35 2jmx h ILE 45 Ca 0.42 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.76 2jmx h ILE 45 Cb 0.07 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 35.99 2jmx h ILE 45 CO -0.15 0.21 -0.56 0.25 0.00 0.00 0.00 178.15 177.91 2jmx h LEU 46 N 1.16 0.00 -0.47 1.44 5.85 -0.97 -3.16 115.31 119.15 2jmx h LEU 46 Ca 0.40 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.95 2jmx h LEU 46 Cb 0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2jmx h LEU 46 CO -0.15 0.56 -0.67 0.11 -0.34 0.00 0.00 178.44 177.95 2jmx h LYS 47 N 0.00 0.40 -6.46 1.25 1.57 0.26 -3.38 116.57 110.22 2jmx h LYS 47 Ca -0.01 -0.30 -0.61 0.00 -1.87 0.00 0.00 60.65 57.86 2jmx h LYS 47 Cb 1.34 0.05 0.07 0.00 0.08 0.00 0.00 32.23 33.77 2jmx h LYS 47 CO 0.07 0.93 0.61 0.39 -0.57 0.00 0.00 179.45 180.88 2jmx n GLU 48 N -3.87 1.79 0.06 3.15 -0.58 0.37 -4.80 120.64 116.76 2jmx n GLU 48 Ca -0.04 0.64 -0.06 0.00 -0.42 0.00 0.00 57.16 57.29 2jmx n GLU 48 Cb 0.67 -2.32 0.12 0.00 -0.57 0.00 0.00 31.44 29.34 2jmx n GLU 48 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2jmx h PRO 49 N 4.86 0.34 0.11 3.49 0.13 -1.89 0.85 132.00 139.89 2jmx h PRO 49 Ca -0.45 -0.21 -0.26 0.00 -0.87 0.00 0.00 66.00 64.20 2jmx h PRO 49 Cb 1.29 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jmx h PRO 49 CO 0.81 0.79 -1.19 0.87 -0.23 0.00 0.00 178.00 179.05 2jmx h LYS 50 N 0.26 0.29 0.00 0.86 1.57 -1.94 -3.30 116.57 114.31 2jmx h LYS 50 Ca 0.00 -0.46 -0.24 0.00 -1.87 0.00 0.00 60.65 58.09 2jmx h LYS 50 Cb 1.04 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 2jmx h LYS 50 CO 0.09 1.20 -1.29 1.98 -0.57 0.00 0.00 179.45 180.85 2jmx h MET 51 N 0.10 0.00 -0.99 3.15 4.05 -1.79 -3.34 114.93 116.11 2jmx h MET 51 Ca -0.12 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.36 2jmx h MET 51 Cb 1.90 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 32.63 2jmx h MET 51 CO 0.20 0.75 0.63 0.00 0.23 0.00 0.00 176.91 178.72 2jmx h ALA 52 N 1.03 1.37 -0.03 0.39 0.00 0.71 0.27 119.26 123.01 2jmx h ALA 52 Ca -0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jmx h ALA 52 Cb 1.86 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2jmx h ALA 52 CO 0.10 0.41 0.02 0.00 0.00 0.00 0.00 179.25 179.79 2jmx h ALA 53 N 1.45 1.95 0.01 0.00 0.00 -1.68 -2.83 119.26 118.17 2jmx h ALA 53 Ca 0.43 -0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.95 2jmx h ALA 53 Cb 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 2jmx h ALA 53 CO -0.18 -0.04 -2.44 0.43 0.00 0.00 0.00 179.25 177.03 2jmx n SER 54 N -4.41 1.89 -0.06 0.00 7.64 -0.45 -3.61 113.62 114.61 2jmx n SER 54 Ca -0.02 -0.10 0.11 0.00 1.01 0.00 0.00 58.87 59.87 2jmx n SER 54 Cb 0.12 -0.38 0.51 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.01 0.35 -3.78 -3.43 5.85 -0.49 -2.66 115.31 111.15 2jmx h LEU 55 Ca -0.57 0.01 -0.54 0.00 0.84 0.00 0.00 57.88 57.62 2jmx h LEU 55 Cb 1.93 -0.07 -0.43 0.00 0.37 0.00 0.00 40.66 42.46 2jmx h LEU 55 CO -0.07 0.22 -0.82 -0.11 -0.34 0.00 0.00 178.44 177.31 2jmx n LEU 56 N -4.47 4.83 -4.58 2.25 0.00 -1.07 -4.93 117.00 109.04 2jmx n LEU 56 Ca 0.09 -4.70 -0.38 0.00 0.00 0.00 0.00 56.01 51.01 2jmx n LEU 56 Cb 0.34 -0.32 -0.11 0.00 0.00 0.00 0.00 43.42 43.33 2jmx n LEU 56 CO 0.34 2.08 -0.17 0.21 0.00 0.00 0.00 177.39 179.85 2jmx s ASN 57 N -3.60 5.98 0.00 1.96 2.47 -1.01 -4.94 114.94 115.80 2jmx s ASN 57 Ca 0.50 -0.06 0.18 0.00 0.42 0.00 0.00 52.86 53.90 2jmx s ASN 57 Cb 0.41 -2.11 0.77 0.00 -1.45 0.00 0.00 41.25 38.87 2jmx s ASN 57 CO 0.04 -0.07 1.56 -0.81 -3.72 0.00 0.00 177.10 174.10 2jmx n PRO 58 N 5.06 0.03 -0.06 0.43 -0.04 -1.26 -2.90 135.00 136.25 2jmx n PRO 58 Ca -0.14 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.60 2jmx n PRO 58 Cb 0.52 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.48 0.17 -1.49 0.54 4.01 -1.26 -4.12 117.16 113.53 2jmx n TYR 59 Ca 0.05 -0.08 -0.33 0.00 -0.16 0.00 0.00 57.90 57.37 2jmx n TYR 59 Cb 0.20 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.30 2jmx n TYR 59 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2jmx n VAL 60 N 0.03 3.41 -1.68 -0.72 0.31 -1.14 -5.06 118.33 113.48 2jmx n VAL 60 Ca 0.15 -3.24 0.07 0.00 -0.01 0.00 0.00 64.34 61.30 2jmx n VAL 60 Cb 0.25 -1.16 -0.02 0.00 -0.91 0.00 0.00 33.84 32.00 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 -0.86 -0.98 -0.06 5.55 5.02 -1.26 -3.27 118.16 122.29 2jmx n LYS 61 Ca 0.59 0.65 -0.13 0.00 -2.02 0.00 0.00 58.31 57.40 2jmx n LYS 61 Cb 0.71 -1.20 -0.04 0.00 -0.02 0.00 0.00 35.03 34.47 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 -2.03 0.32 -0.23 1.97 0.00 -1.26 -4.21 116.66 111.22 2jmx n ARG 62 Ca 0.00 0.14 -0.08 0.00 -0.00 0.00 0.00 57.85 57.91 2jmx n ARG 62 Cb 0.22 -1.05 0.05 0.00 0.00 0.00 0.00 32.46 31.68 2jmx n ARG 62 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2jmx h SER 63 N -0.56 1.05 -0.78 6.15 0.02 -1.93 -2.82 113.55 114.67 2jmx h SER 63 Ca -0.27 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.38 2jmx h SER 63 Cb 1.10 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 2jmx h SER 63 CO -0.16 1.06 0.34 0.58 -1.14 0.00 0.00 176.83 177.51 2jmx h VAL 64 N 1.02 1.25 -1.00 2.27 2.07 -1.83 -2.44 116.25 117.59 2jmx h VAL 64 Ca 0.19 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2jmx h VAL 64 Cb 0.47 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2jmx h VAL 64 CO 0.02 0.32 0.66 0.50 0.02 0.00 0.00 177.57 179.09 2jmx h LYS 65 N 1.12 1.29 -0.62 1.57 1.63 -1.49 -2.05 116.57 118.03 2jmx h LYS 65 Ca 0.27 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.93 2jmx h LYS 65 Cb 0.17 -0.29 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 2jmx h LYS 65 CO -0.03 0.86 0.15 0.28 -3.45 0.00 0.00 179.45 177.26 2jmx h VAL 66 N 1.33 1.25 -0.93 2.00 2.07 -1.23 -2.69 116.25 118.06 2jmx h VAL 66 Ca 0.38 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2jmx h VAL 66 Cb -0.11 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 2jmx h VAL 66 CO -0.09 0.35 0.60 0.11 0.02 0.00 0.00 177.57 178.55 2jmx h LYS 67 N 0.91 1.23 -0.64 1.57 1.57 -0.94 -2.20 116.57 118.07 2jmx h LYS 67 Ca 0.19 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2jmx h LYS 67 Cb 0.36 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2jmx h LYS 67 CO 0.00 0.83 0.41 0.77 -0.57 0.00 0.00 179.45 180.89 2jmx h SER 68 N 1.26 0.75 -0.40 0.86 0.02 -1.07 -0.69 113.55 114.29 2jmx h SER 68 Ca 0.34 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2jmx h SER 68 Cb -0.12 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 2jmx h SER 68 CO -0.07 0.57 0.19 -0.07 -1.14 0.00 0.00 176.83 176.31 2jmx h LEU 69 N 0.87 0.52 -0.83 5.07 4.07 -1.22 -2.08 115.31 121.70 2jmx h LEU 69 Ca 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2jmx h LEU 69 Cb -0.07 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.50 2jmx h LEU 69 CO -0.05 0.50 0.53 -1.28 -1.08 0.00 0.00 178.44 177.07 2jmx h SER 70 N 0.51 0.97 0.58 -0.43 0.87 -1.03 0.33 113.55 115.35 2jmx h SER 70 Ca 0.14 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2jmx h SER 70 Cb 0.12 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2jmx h SER 70 CO -0.02 0.72 -0.03 -0.78 -0.53 0.00 0.00 176.83 176.20 2jmx h ASP 71 N 1.13 0.00 0.09 6.23 1.82 -0.76 -1.44 116.42 123.49 2jmx h ASP 71 Ca 0.30 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.68 2jmx h ASP 71 Cb -0.10 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 2jmx h ASP 71 CO -0.06 0.03 -1.40 -0.03 -1.61 0.00 0.00 179.24 176.17 2jmx h MET 72 N 0.00 0.19 -0.87 0.28 4.05 -0.55 -3.33 114.93 114.70 2jmx h MET 72 Ca -0.00 -0.32 0.13 0.00 -0.28 0.00 0.00 59.70 59.22 2jmx h MET 72 Cb 0.33 0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 31.18 2jmx h MET 72 CO 0.00 1.15 0.56 1.15 0.23 0.00 0.00 176.91 180.01 2jmx h THR 73 N -0.42 0.88 -0.90 -0.77 2.02 -0.75 0.37 112.91 113.33 2jmx h THR 73 Ca -0.32 -0.25 0.10 0.00 0.77 0.00 0.00 66.41 66.72 2jmx h THR 73 Cb 1.68 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 2jmx h THR 73 CO 0.01 0.13 0.58 0.00 0.37 0.00 0.00 175.52 176.61 2jmx h ALA 74 N 1.59 1.64 0.03 6.16 0.00 -1.37 -1.95 119.26 125.37 2jmx h ALA 74 Ca 0.42 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 55.01 2jmx h ALA 74 Cb 0.62 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2jmx h ALA 74 CO -0.19 0.17 -1.86 1.63 0.00 0.00 0.00 179.25 179.00 2jmx n LYS 75 N -4.54 0.67 0.27 0.00 5.02 -0.19 -4.04 118.16 115.36 2jmx n LYS 75 Ca 0.15 0.26 0.18 0.00 -2.02 0.00 0.00 58.31 56.89 2jmx n LYS 75 Cb 0.32 -1.74 0.90 0.00 -0.02 0.00 0.00 35.03 34.49 2jmx n LYS 75 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2jmx h GLU 76 N 0.02 0.00 -5.69 1.97 4.39 0.03 -3.46 114.58 111.84 2jmx h GLU 76 Ca -0.35 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.00 2jmx h GLU 76 Cb 2.03 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 30.85 2jmx h GLU 76 CO 0.07 0.00 -0.75 1.17 -1.16 0.00 0.00 179.01 178.34 2jmx n LYS 77 N -2.86 -6.93 -0.11 2.33 4.81 -0.77 -4.97 118.16 109.65 2jmx n LYS 77 Ca -0.01 0.85 -0.08 0.00 -0.87 0.00 0.00 58.31 58.19 2jmx n LYS 77 Cb 0.14 -5.87 0.08 0.00 0.02 0.00 0.00 35.03 29.39 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 -4.33 -2.10 -3.45 5.64 3.72 -1.25 -5.03 117.46 110.66 2jmx n PHE 78 Ca -0.22 -0.16 -0.23 0.00 -0.05 0.00 0.00 57.45 56.79 2jmx n PHE 78 Cb 0.65 -0.43 0.02 0.00 -0.94 0.00 0.00 39.48 38.78 2jmx n PHE 78 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2jmx s SER 79 N -2.05 4.90 0.36 4.37 1.04 -1.26 -4.98 113.70 116.08 2jmx s SER 79 Ca 0.17 -1.01 0.26 0.00 0.48 0.00 0.00 55.95 55.86 2jmx s SER 79 Cb -0.03 0.27 1.24 0.00 0.10 0.00 0.00 66.02 67.60 2jmx s SER 79 CO 0.14 -1.17 1.80 1.55 0.98 0.00 0.00 173.24 176.54 2jmx h PRO 80 N 0.50 0.00 -0.39 4.02 0.13 -1.96 -2.32 132.00 131.99 2jmx h PRO 80 Ca -0.34 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.67 2jmx h PRO 80 Cb 1.29 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 2jmx h PRO 80 CO 0.49 0.00 0.04 1.28 -0.23 0.00 0.00 178.00 179.59 2jmx n LEU 81 N -2.44 4.41 -0.75 1.56 7.99 -1.26 -4.56 117.00 121.94 2jmx n LEU 81 Ca 0.00 -3.36 0.03 0.00 -0.01 0.00 0.00 56.01 52.68 2jmx n LEU 81 Cb 0.16 -0.62 0.04 0.00 -0.11 0.00 0.00 43.42 42.89 2jmx n LEU 81 CO 0.17 0.93 0.24 0.41 -1.51 0.00 0.00 177.39 177.63 2jmx n THR 82 N -0.73 0.44 -2.61 -5.08 -1.04 -0.87 -4.75 114.28 99.63 2jmx n THR 82 Ca 0.30 -0.87 -0.22 0.00 -2.04 0.00 0.00 64.05 61.22 2jmx n THR 82 Cb 1.05 0.49 0.00 0.00 -1.82 0.00 0.00 70.33 70.05 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 -0.14 3.58 0.12 8.00 7.64 -1.26 -4.45 113.62 127.12 2jmx n SER 83 Ca 0.06 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.54 2jmx n SER 83 Cb 0.83 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.30 -2.16 0.21 6.43 4.13 -1.26 -4.87 115.26 117.44 2jmx n ASN 84 Ca 0.29 0.53 0.12 0.00 1.68 0.00 0.00 54.58 57.21 2jmx n ASN 84 Cb 0.68 2.21 0.71 0.00 -1.54 0.00 0.00 39.78 41.84 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 -0.23 3.41 5.85 -1.85 -0.99 115.31 121.50 2jmx h LEU 85 Ca 0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 2jmx h LEU 85 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 2jmx h LEU 85 CO 0.00 0.00 -0.64 0.40 -0.34 0.00 0.00 178.44 177.86 2jmx h ILE 86 N 0.00 1.28 -0.65 4.05 2.04 -1.90 -2.28 117.51 120.05 2jmx h ILE 86 Ca 0.06 -1.83 0.04 0.00 1.00 0.00 0.00 64.86 64.13 2jmx h ILE 86 Cb 0.25 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 2jmx h ILE 86 CO -0.00 0.59 0.39 -1.13 0.00 0.00 0.00 178.15 177.99 2jmx h ASN 87 N 0.59 0.61 -0.81 1.72 -0.73 -1.53 -1.33 115.58 114.11 2jmx h ASN 87 Ca -0.02 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 2jmx h ASN 87 Cb 1.26 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 39.69 2jmx h ASN 87 CO 0.14 0.42 0.44 -0.07 -0.37 0.00 0.00 177.43 177.99 2jmx h LEU 88 N 0.75 1.02 -0.97 0.34 3.38 -1.37 0.23 115.31 118.69 2jmx h LEU 88 Ca 0.27 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2jmx h LEU 88 Cb 0.07 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 2jmx h LEU 88 CO -0.13 0.83 0.62 -0.07 0.09 0.00 0.00 178.44 179.78 2jmx h LEU 89 N 1.13 0.97 -3.69 1.67 3.38 -0.66 -1.26 115.31 116.85 2jmx h LEU 89 Ca 0.29 0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.96 2jmx h LEU 89 Cb 0.04 -0.18 -0.19 0.00 0.09 0.00 0.00 40.66 40.42 2jmx h LEU 89 CO -0.05 0.60 0.30 0.00 0.09 0.00 0.00 178.44 179.38 2jmx n ALA 90 N -2.36 4.81 -0.07 1.53 0.00 -0.76 -0.28 120.51 123.38 2jmx n ALA 90 Ca 0.15 -2.83 -0.21 0.00 0.00 0.00 0.00 53.44 50.55 2jmx n ALA 90 Cb 0.22 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.90 0.68 -1.96 0.00 2.13 0.75 -4.27 120.64 117.08 2jmx n GLU 91 Ca 0.45 0.26 0.01 0.00 0.66 0.00 0.00 57.16 58.55 2jmx n GLU 91 Cb 1.36 -1.63 0.04 0.00 0.27 0.00 0.00 31.44 31.49 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 -3.60 1.41 -1.23 4.31 3.02 -1.25 -4.97 115.26 112.95 2jmx n ASN 92 Ca -0.39 -2.20 -0.01 0.00 -0.03 0.00 0.00 54.58 51.96 2jmx n ASN 92 Cb 0.97 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.05 0.54 1.68 7.41 0.00 -1.26 -4.98 105.19 108.53 2jmx n GLY 93 Ca 0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.25 3.03 -1.25 1.61 5.12 0.61 -4.48 116.66 120.04 2jmx n ARG 94 Ca -0.01 -3.06 -0.21 0.00 -1.93 0.00 0.00 57.85 52.64 2jmx n ARG 94 Cb 0.51 -2.07 0.13 0.00 -1.16 0.00 0.00 32.46 29.87 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 -0.54 6.00 -0.10 0.55 4.77 -1.18 -4.24 117.00 122.26 2jmx n LEU 95 Ca 0.39 -4.03 -0.20 0.00 -0.03 0.00 0.00 56.01 52.14 2jmx n LEU 95 Cb 1.28 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2jmx n LEU 95 CO 0.36 1.39 -1.16 0.35 -1.33 0.00 0.00 177.39 177.00 2jmx n THR 96 N -1.02 1.06 -1.33 -5.08 -2.24 -1.26 -4.50 114.28 99.92 2jmx n THR 96 Ca 0.51 -0.28 -0.31 0.00 -2.27 0.00 0.00 64.05 61.70 2jmx n THR 96 Cb 1.10 -1.72 0.11 0.00 -2.10 0.00 0.00 70.33 67.72 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 -3.81 6.31 0.12 3.42 3.02 -1.26 -4.63 115.26 118.42 2jmx n ASN 97 Ca -0.38 -3.74 -0.03 0.00 -0.03 0.00 0.00 54.58 50.41 2jmx n ASN 97 Cb 0.78 -0.90 0.13 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.05 1.46 -0.54 3.41 1.03 -1.79 -3.26 112.91 114.27 2jmx h THR 98 Ca 0.60 -2.21 -0.02 0.00 -0.01 0.00 0.00 66.41 64.77 2jmx h THR 98 Cb 1.46 2.18 -0.03 0.00 -1.07 0.00 0.00 68.15 70.70 2jmx h THR 98 CO 1.39 0.63 0.24 1.55 -0.01 0.00 0.00 175.52 179.33 2jmx h PRO 99 N 0.04 0.77 -0.64 0.00 0.13 -1.94 -1.89 132.00 128.47 2jmx h PRO 99 Ca -0.01 -0.10 -0.07 0.00 -0.87 0.00 0.00 66.00 64.95 2jmx h PRO 99 Cb 1.16 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 2jmx h PRO 99 CO 0.09 0.61 0.11 0.00 -0.23 0.00 0.00 178.00 178.57 2jmx h ALA 100 N 1.50 0.84 -0.62 -0.56 0.00 -1.94 0.73 119.26 119.22 2jmx h ALA 100 Ca 0.19 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2jmx h ALA 100 Cb 0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2jmx h ALA 100 CO -0.02 0.60 0.41 0.28 0.00 0.00 0.00 179.25 180.52 2jmx h VAL 101 N 0.97 0.94 0.08 0.00 2.07 -1.43 0.89 116.25 119.76 2jmx h VAL 101 Ca 0.19 -0.17 -0.27 0.00 0.82 0.00 0.00 66.70 67.27 2jmx h VAL 101 Cb 0.43 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2jmx h VAL 101 CO 0.01 0.09 -1.43 0.40 0.02 0.00 0.00 177.57 176.66 2jmx h ILE 102 N 0.51 0.94 0.30 4.57 2.04 -0.96 -3.08 117.51 121.82 2jmx h ILE 102 Ca 0.28 -2.32 -0.01 0.00 1.00 0.00 0.00 64.86 63.80 2jmx h ILE 102 Cb 0.43 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 2jmx h ILE 102 CO -0.08 0.63 -0.14 0.28 0.00 0.00 0.00 178.15 178.83 2jmx h SER 103 N -0.46 -0.34 -0.71 1.72 0.02 0.72 -2.67 113.55 111.84 2jmx h SER 103 Ca -0.33 -0.15 0.15 0.00 -0.84 0.00 0.00 61.79 60.63 2jmx h SER 103 Cb 1.65 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 64.24 2jmx h SER 103 CO -0.02 -0.03 0.48 0.00 -1.14 0.00 0.00 176.83 176.12 2jmx h ALA 104 N -0.06 2.21 -0.94 3.77 0.00 0.63 -0.12 119.26 124.75 2jmx h ALA 104 Ca -0.04 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.99 2jmx h ALA 104 Cb 0.46 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 2jmx h ALA 104 CO 0.07 -0.40 0.56 0.35 0.00 0.00 0.00 179.25 179.83 2jmx h PHE 105 N 0.32 1.00 -0.20 0.00 3.04 -1.38 1.02 116.94 120.75 2jmx h PHE 105 Ca 0.34 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 62.15 2jmx h PHE 105 Cb 0.89 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 2jmx h PHE 105 CO -0.00 0.36 -0.61 0.66 -2.02 0.00 0.00 178.31 176.70 2jmx h SER 106 N 0.86 0.74 0.75 0.41 4.64 -0.97 -1.33 113.55 118.64 2jmx h SER 106 Ca 0.48 -0.42 -0.17 0.00 -0.47 0.00 0.00 61.79 61.21 2jmx h SER 106 Cb 0.54 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2jmx h SER 106 CO -0.29 1.18 -0.78 0.74 -0.87 0.00 0.00 176.83 176.80 2jmx h THR 107 N 0.49 1.55 -0.00 2.95 2.02 -0.88 -3.16 112.91 115.88 2jmx h THR 107 Ca -0.00 -2.64 -0.20 0.00 0.77 0.00 0.00 66.41 64.33 2jmx h THR 107 Cb 1.18 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 70.01 2jmx h THR 107 CO 0.12 0.76 -0.87 0.24 0.37 0.00 0.00 175.52 176.13 2jmx h MET 108 N 0.01 0.23 -0.88 6.66 2.86 0.11 -3.17 114.93 120.75 2jmx h MET 108 Ca -0.01 -0.25 0.09 0.00 -2.06 0.00 0.00 59.70 57.47 2jmx h MET 108 Cb 1.38 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 33.05 2jmx h MET 108 CO 0.10 0.97 0.57 1.98 1.06 0.00 0.00 176.91 181.59 2jmx h MET 109 N 0.13 0.87 -0.59 1.72 -1.53 -1.20 -0.03 114.93 114.31 2jmx h MET 109 Ca -0.05 -0.05 0.14 0.00 -3.44 0.00 0.00 59.70 56.30 2jmx h MET 109 Cb 1.50 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 32.32 2jmx h MET 109 CO 0.14 0.58 0.41 0.77 0.14 0.00 0.00 176.91 178.94 2jmx h SER 110 N 0.90 0.17 0.78 1.39 0.02 -1.57 0.25 113.55 115.49 2jmx h SER 110 Ca 0.40 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2jmx h SER 110 Cb 0.37 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2jmx h SER 110 CO -0.17 0.09 0.00 0.52 -1.14 0.00 0.00 176.83 176.13 2jmx n VAL 111 N -4.42 0.11 0.07 2.27 0.31 -0.03 -3.02 118.33 113.63 2jmx n VAL 111 Ca 0.11 0.03 0.08 0.00 -0.01 0.00 0.00 64.34 64.55 2jmx n VAL 111 Cb 0.54 -0.56 -0.04 0.00 -0.91 0.00 0.00 33.84 32.86 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 0.87 0.25 3.52 -0.00 0.88 -4.20 115.22 115.14 2jmx n HIS 112 Ca 0.09 0.27 0.10 0.00 -0.00 0.00 0.00 57.72 58.18 2jmx n HIS 112 Cb 0.28 -0.95 -0.15 0.00 -0.00 0.00 0.00 29.99 29.17 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 -2.70 0.55 0.01 -1.40 0.63 -1.17 -4.18 116.66 108.40 2jmx n ARG 113 Ca -0.03 -0.14 -0.18 0.00 -0.92 0.00 0.00 57.85 56.58 2jmx n ARG 113 Cb 0.64 -1.48 -0.12 0.00 0.45 0.00 0.00 32.46 31.94 2jmx n ARG 113 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2jmx h GLY 114 N 4.07 0.35 -5.17 5.14 0.00 -1.72 -3.38 103.07 102.38 2jmx h GLY 114 Ca 0.00 -0.70 -0.62 0.00 0.00 0.00 0.00 47.33 46.01 2jmx h GLY 114 CO 0.00 0.61 -0.42 1.18 0.00 0.00 0.00 176.54 177.91 2jmx n GLU 115 N -4.26 3.49 -3.37 4.80 1.02 -1.26 -4.96 120.64 116.11 2jmx n GLU 115 Ca -0.11 -4.69 -0.13 0.00 -0.02 0.00 0.00 57.16 52.20 2jmx n GLU 115 Cb 0.68 -2.27 -0.08 0.00 -0.02 0.00 0.00 31.44 29.75 2jmx n GLU 115 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jmx s VAL 116 N -4.78 -0.51 0.33 2.62 1.01 -1.26 -5.01 120.40 112.80 2jmx s VAL 116 Ca 0.48 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 2jmx s VAL 116 Cb 0.31 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 2jmx s VAL 116 CO -0.16 -0.32 1.15 -2.16 0.00 0.00 0.00 175.10 173.61 2jmx s PRO 117 N 2.45 4.41 -0.29 2.72 0.04 -1.26 -4.91 135.00 138.16 2jmx s PRO 117 Ca 0.10 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.03 2jmx s PRO 117 Cb -0.14 -3.00 0.07 0.00 0.04 0.00 0.00 34.50 31.47 2jmx s PRO 117 CO -0.27 -0.02 -0.03 0.00 0.04 0.00 0.00 177.00 176.72 2jmx n THR 119 N 4.48 1.08 -1.12 0.00 -1.04 -1.26 -5.34 114.28 111.08 2jmx n THR 119 Ca -0.11 -2.64 0.00 0.00 -2.04 0.00 0.00 64.05 59.26 2jmx n THR 119 Cb 0.42 1.25 0.00 0.00 -1.82 0.00 0.00 70.33 70.18 2jmx n THR 119 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98