#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmx s ALA 2 N 0.00 0.19 -0.27 1.98 0.00 -1.26 -5.01 121.76 117.39 2jmx s ALA 2 Ca 0.00 -0.43 0.18 0.00 0.00 0.00 0.00 51.96 51.71 2jmx s ALA 2 Cb 0.00 -1.33 0.49 0.00 0.00 0.00 0.00 23.12 22.28 2jmx s ALA 2 CO 0.00 -1.42 1.14 0.36 0.00 0.00 0.00 175.76 175.84 2jmx n LYS 3 N 5.28 2.36 -4.40 0.00 2.85 -1.26 -5.08 118.16 117.92 2jmx n LYS 3 Ca -0.06 -3.73 -0.24 0.00 -1.05 0.00 0.00 58.31 53.23 2jmx n LYS 3 Cb 0.46 -1.83 -0.11 0.00 -0.65 0.00 0.00 35.03 32.90 2jmx n LYS 3 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2jmx s LEU 4 N -3.74 2.47 -0.75 -5.58 0.20 -1.26 -5.07 118.68 104.95 2jmx s LEU 4 Ca 0.35 -0.91 0.03 0.00 0.69 0.00 0.00 54.13 54.29 2jmx s LEU 4 Cb 0.35 -1.01 0.31 0.00 -0.43 0.00 0.00 46.19 45.41 2jmx s LEU 4 CO -0.01 0.03 1.16 0.52 -0.29 0.00 0.00 176.35 177.76 2jmx n VAL 5 N 0.06 3.87 -3.17 1.68 0.31 -1.26 -4.87 118.33 114.96 2jmx n VAL 5 Ca -0.11 -5.64 -0.24 0.00 -0.01 0.00 0.00 64.34 58.34 2jmx n VAL 5 Cb 0.57 -1.68 -0.05 0.00 -0.91 0.00 0.00 33.84 31.77 2jmx n VAL 5 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2jmx n ARG 6 N 0.24 2.09 -1.77 5.55 0.63 -1.26 -5.10 116.66 117.04 2jmx n ARG 6 Ca 0.34 -4.19 -0.32 0.00 -0.92 0.00 0.00 57.85 52.76 2jmx n ARG 6 Cb 0.36 -1.94 0.04 0.00 0.45 0.00 0.00 32.46 31.37 2jmx n ARG 6 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2jmx s PRO 7 N -2.57 2.95 0.77 -0.14 0.04 -1.26 -5.03 135.00 129.77 2jmx s PRO 7 Ca 0.42 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 2jmx s PRO 7 Cb 0.24 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.85 2jmx s PRO 7 CO -0.09 -1.10 1.08 -1.25 0.04 0.00 0.00 177.00 175.68 2jmx s PRO 8 N -4.35 2.33 0.02 0.56 0.04 -1.26 -5.03 135.00 127.31 2jmx s PRO 8 Ca 0.63 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 2jmx s PRO 8 Cb -0.17 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2jmx s PRO 8 CO 0.44 -1.52 -0.07 0.28 0.04 0.00 0.00 177.00 176.17 2jmx n VAL 9 N -3.41 1.06 -1.97 -0.36 0.31 -1.26 -5.14 118.33 107.57 2jmx n VAL 9 Ca 0.08 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 2jmx n VAL 9 Cb 0.54 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 2jmx n VAL 9 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jmx n GLN 10 N -3.58 -5.45 -1.92 5.55 7.27 -1.26 -4.96 117.38 113.03 2jmx n GLN 10 Ca -0.05 3.90 0.00 0.00 0.07 0.00 0.00 57.00 60.93 2jmx n GLN 10 Cb 0.21 -4.26 0.00 0.00 2.41 0.00 0.00 30.24 28.60 2jmx n GLN 10 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2jmx n ILE 11 N 1.04 -7.29 0.15 1.69 2.08 -1.26 -5.06 119.36 110.71 2jmx n ILE 11 Ca 0.00 2.83 0.00 0.00 0.56 0.00 0.00 62.75 66.14 2jmx n ILE 11 Cb 0.00 -3.88 0.00 0.00 -0.75 0.00 0.00 39.64 35.01 2jmx n ILE 11 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 2jmx n TYR 12 N 0.79 -2.88 0.00 1.39 4.01 -1.26 -5.07 117.16 114.13 2jmx n TYR 12 Ca 0.00 0.67 0.00 0.00 -0.16 0.00 0.00 57.90 58.41 2jmx n TYR 12 Cb 0.00 1.31 0.00 0.00 -0.31 0.00 0.00 39.34 40.34 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 0.84 -0.64 0.36 2.72 0.00 -1.26 -4.93 105.19 102.28 2jmx n GLY 13 Ca 0.00 0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 0.96 -0.12 -0.61 6.09 -2.01 0.29 117.51 122.11 2jmx h ILE 14 Ca 0.00 -0.28 -0.17 0.00 -1.37 0.00 0.00 64.86 63.04 2jmx h ILE 14 Cb 0.00 0.08 -0.01 0.00 0.47 0.00 0.00 36.82 37.36 2jmx h ILE 14 CO 0.00 0.15 -0.63 -0.33 -3.07 0.00 0.00 178.15 174.27 2jmx h GLU 15 N 0.81 0.45 -0.24 2.19 5.08 -1.97 -2.79 114.58 118.11 2jmx h GLU 15 Ca 0.39 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 2jmx h GLU 15 Cb 0.42 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jmx h GLU 15 CO -0.16 0.94 -0.34 0.78 -1.00 0.00 0.00 179.01 179.23 2jmx h GLY 16 N 1.20 0.71 2.00 -3.84 0.00 -1.45 -2.84 103.07 98.85 2jmx h GLY 16 Ca -0.01 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 2jmx h GLY 16 CO 0.11 0.71 -0.00 -0.09 0.00 0.00 0.00 176.54 177.27 2jmx h ARG 17 N 0.36 0.00 -0.75 4.80 2.43 -0.46 -2.00 114.38 118.76 2jmx h ARG 17 Ca 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2jmx h ARG 17 Cb 0.92 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 2jmx h ARG 17 CO 0.08 0.00 0.39 1.88 -1.51 0.00 0.00 179.97 180.81 2jmx h TYR 18 N 0.00 1.05 0.05 2.20 -1.99 -1.23 1.21 116.97 118.26 2jmx h TYR 18 Ca -0.00 -0.04 -0.27 0.00 2.00 0.00 0.00 58.73 60.42 2jmx h TYR 18 Cb 0.00 -0.33 0.02 0.00 2.00 0.00 0.00 36.73 38.42 2jmx h TYR 18 CO 0.00 0.75 -1.10 0.00 -0.00 0.00 0.00 178.16 177.81 2jmx h ALA 19 N 1.20 0.13 -0.01 3.88 0.00 -1.48 -2.62 119.26 120.36 2jmx h ALA 19 Ca 0.26 -0.73 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 2jmx h ALA 19 Cb 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jmx h ALA 19 CO -0.04 0.72 -0.79 1.79 0.00 0.00 0.00 179.25 180.94 2jmx h THR 20 N 0.31 1.49 0.00 0.00 1.35 -1.22 0.24 112.91 115.08 2jmx h THR 20 Ca -0.14 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 2jmx h THR 20 Cb 1.76 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.54 2jmx h THR 20 CO 0.21 0.72 0.00 0.00 -0.25 0.00 0.00 175.52 176.20 2jmx h ALA 21 N 1.10 1.00 0.04 6.62 0.00 0.14 0.42 119.26 128.58 2jmx h ALA 21 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.50 2jmx h ALA 21 Cb 1.38 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 2jmx h ALA 21 CO 0.12 0.00 -2.28 -0.11 0.00 0.00 0.00 179.25 176.98 2jmx n LEU 22 N -2.69 2.69 0.07 0.00 -0.00 -0.99 -4.27 117.00 111.81 2jmx n LEU 22 Ca 0.03 0.05 0.13 0.00 -0.00 0.00 0.00 56.01 56.23 2jmx n LEU 22 Cb 0.40 -0.96 0.33 0.00 -0.00 0.00 0.00 43.42 43.19 2jmx n LEU 22 CO 0.29 0.83 0.66 0.00 -0.00 0.00 0.00 177.39 179.17 2jmx n TYR 23 N -3.52 0.59 -0.33 1.96 0.18 0.82 -3.67 117.16 113.19 2jmx n TYR 23 Ca -0.42 0.17 0.13 0.00 1.88 0.00 0.00 57.90 59.66 2jmx n TYR 23 Cb 0.97 -0.72 0.35 0.00 -0.38 0.00 0.00 39.34 39.57 2jmx n TYR 23 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2jmx h SER 24 N 0.00 0.73 0.17 9.48 0.87 -0.32 1.30 113.55 125.78 2jmx h SER 24 Ca 0.00 0.07 -0.28 0.00 -1.23 0.00 0.00 61.79 60.36 2jmx h SER 24 Cb 0.69 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.61 2jmx h SER 24 CO 0.00 0.30 -1.15 0.00 -0.53 0.00 0.00 176.83 175.45 2jmx h ALA 25 N 1.62 0.10 -0.75 6.23 0.00 -1.81 -3.19 119.26 121.45 2jmx h ALA 25 Ca 0.54 -0.75 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jmx h ALA 25 Cb 0.88 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2jmx h ALA 25 CO -0.31 0.73 0.50 0.00 0.00 0.00 0.00 179.25 180.17 2jmx h ALA 26 N 0.42 1.47 -0.91 0.00 0.00 -0.37 -2.02 119.26 117.86 2jmx h ALA 26 Ca -0.15 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2jmx h ALA 26 Cb 1.81 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 2jmx h ALA 26 CO 0.22 0.48 0.57 0.66 0.00 0.00 0.00 179.25 181.18 2jmx h SER 27 N 1.01 0.92 -0.62 0.00 4.64 0.14 0.98 113.55 120.62 2jmx h SER 27 Ca 0.28 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 2jmx h SER 27 Cb -0.10 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.78 2jmx h SER 27 CO -0.06 0.59 0.21 0.50 -0.87 0.00 0.00 176.83 177.20 2jmx h LYS 28 N 1.05 0.98 -0.02 4.77 3.64 -1.41 -2.43 116.57 123.15 2jmx h LYS 28 Ca 0.39 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2jmx h LYS 28 Cb 0.15 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2jmx h LYS 28 CO -0.17 0.83 0.00 1.04 -2.27 0.00 0.00 179.45 178.89 2jmx n GLN 29 N -4.28 1.83 -3.09 1.90 6.02 -0.41 -4.95 117.38 114.41 2jmx n GLN 29 Ca 0.05 -1.21 -0.13 0.00 -0.01 0.00 0.00 57.00 55.70 2jmx n GLN 29 Cb 0.21 -1.47 0.05 0.00 1.02 0.00 0.00 30.24 30.04 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 0.47 -4.10 -1.04 1.08 2.85 0.31 -4.94 115.26 109.89 2jmx n ASN 30 Ca 0.18 -0.33 0.10 0.00 -0.11 0.00 0.00 54.58 54.42 2jmx n ASN 30 Cb 0.42 -3.18 0.23 0.00 1.24 0.00 0.00 39.78 38.48 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 -3.10 2.55 -0.30 1.20 4.01 0.49 -4.55 118.16 118.47 2jmx n LYS 31 Ca -0.03 -2.29 0.28 0.00 -0.51 0.00 0.00 58.31 55.77 2jmx n LYS 31 Cb 0.55 -1.45 0.64 0.00 -0.51 0.00 0.00 35.03 34.26 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 3.56 0.20 -0.22 -0.35 3.38 -1.91 0.68 115.31 120.65 2jmx h LEU 32 Ca 0.00 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2jmx h LEU 32 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2jmx h LEU 32 CO 0.00 0.04 -0.42 -0.33 0.09 0.00 0.00 178.44 177.82 2jmx h GLU 33 N 0.18 0.67 0.00 1.13 5.08 -1.97 1.07 114.58 120.73 2jmx h GLU 33 Ca 0.55 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2jmx h GLU 33 Cb 1.83 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 2jmx h GLU 33 CO -0.14 1.05 -0.18 1.96 -1.00 0.00 0.00 179.01 180.70 2jmx h GLN 34 N 0.37 0.00 0.00 2.33 4.20 -0.11 -2.21 115.11 119.68 2jmx h GLN 34 Ca 0.01 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.36 2jmx h GLN 34 Cb 1.02 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.73 2jmx h GLN 34 CO 0.09 0.18 -2.36 0.28 -0.67 0.00 0.00 178.83 176.36 2jmx n VAL 35 N -3.76 1.36 0.12 -0.54 0.31 0.54 -3.84 118.33 112.52 2jmx n VAL 35 Ca -0.02 -0.68 -0.03 0.00 -0.01 0.00 0.00 64.34 63.61 2jmx n VAL 35 Cb 0.29 -0.92 0.11 0.00 -0.91 0.00 0.00 33.84 32.41 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 0.02 0.09 5.55 4.81 0.12 -2.54 114.58 122.63 2jmx h GLU 36 Ca -0.53 -0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 58.37 2jmx h GLU 36 Cb 2.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.39 2jmx h GLU 36 CO -0.03 0.71 -1.60 -0.22 -0.73 0.00 0.00 179.01 177.15 2jmx h LYS 37 N 0.02 0.18 -0.05 1.92 3.64 -1.56 -3.29 116.57 117.43 2jmx h LYS 37 Ca -0.01 -0.32 -0.22 0.00 -1.27 0.00 0.00 60.65 58.83 2jmx h LYS 37 Cb 1.23 0.12 0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2jmx h LYS 37 CO 0.09 0.99 -0.88 0.93 -2.27 0.00 0.00 179.45 178.32 2jmx h GLU 38 N 0.05 0.55 -0.76 1.90 3.07 -1.66 -3.10 114.58 114.62 2jmx h GLU 38 Ca -0.26 -0.52 0.10 0.00 -0.50 0.00 0.00 59.36 58.18 2jmx h GLU 38 Cb 2.00 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 29.99 2jmx h GLU 38 CO 0.13 1.15 0.50 -0.07 -1.40 0.00 0.00 179.01 179.32 2jmx h LEU 39 N 0.34 0.58 -1.17 1.33 3.38 -1.59 -0.93 115.31 117.26 2jmx h LEU 39 Ca -0.07 0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2jmx h LEU 39 Cb 1.50 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 2jmx h LEU 39 CO 0.16 0.34 0.58 0.25 0.09 0.00 0.00 178.44 179.86 2jmx h LEU 40 N 0.65 0.89 -1.14 1.67 7.12 -1.60 -1.77 115.31 121.12 2jmx h LEU 40 Ca 0.35 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.44 2jmx h LEU 40 Cb 0.50 -0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 40.38 2jmx h LEU 40 CO -0.13 0.58 0.59 0.03 -0.13 0.00 0.00 178.44 179.39 2jmx h ARG 41 N 1.02 0.99 -0.84 1.25 3.08 -1.26 -1.37 114.38 117.25 2jmx h ARG 41 Ca 0.37 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.41 2jmx h ARG 41 Cb 0.17 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 2jmx h ARG 41 CO -0.13 0.65 0.55 0.28 -1.07 0.00 0.00 179.97 180.25 2jmx h VAL 42 N 1.02 1.11 -0.09 2.04 2.07 -1.36 -1.74 116.25 119.29 2jmx h VAL 42 Ca 0.40 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2jmx h VAL 42 Cb 0.23 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2jmx h VAL 42 CO -0.16 0.18 0.03 1.23 0.02 0.00 0.00 177.57 178.88 2jmx h GLY 43 N 1.00 0.15 0.91 2.17 0.00 -1.27 -2.58 103.07 103.45 2jmx h GLY 43 Ca 0.34 -0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.64 2jmx h GLY 43 CO -0.11 0.08 0.56 1.46 0.00 0.00 0.00 176.54 178.54 2jmx h GLN 44 N -0.04 0.95 -0.60 4.80 4.20 -1.20 0.34 115.11 123.56 2jmx h GLN 44 Ca 0.03 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2jmx h GLN 44 Cb 0.21 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2jmx h GLN 44 CO -0.00 0.63 0.39 0.82 -0.67 0.00 0.00 178.83 180.00 2jmx h ILE 45 N 0.98 1.16 -0.01 2.54 2.04 -1.05 0.81 117.51 123.98 2jmx h ILE 45 Ca 0.37 -0.30 -0.21 0.00 1.00 0.00 0.00 64.86 65.71 2jmx h ILE 45 Cb 0.19 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2jmx h ILE 45 CO -0.13 0.16 -0.90 0.25 0.00 0.00 0.00 178.15 177.53 2jmx h LEU 46 N 0.81 0.44 -0.79 1.44 7.12 -0.95 -3.16 115.31 120.21 2jmx h LEU 46 Ca 0.22 -0.34 -0.11 0.00 0.13 0.00 0.00 57.88 57.77 2jmx h LEU 46 Cb -0.08 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 39.90 2jmx h LEU 46 CO -0.05 1.14 -0.53 0.50 -0.13 0.00 0.00 178.44 179.37 2jmx h LYS 47 N 0.20 0.00 -6.62 1.25 3.64 0.11 -3.37 116.57 111.78 2jmx h LYS 47 Ca -0.06 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.76 2jmx h LYS 47 Cb 1.52 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 33.41 2jmx h LYS 47 CO 0.15 0.53 0.79 0.39 -2.27 0.00 0.00 179.45 179.04 2jmx n GLU 48 N -3.67 2.33 0.10 1.90 1.02 0.28 -4.82 120.64 117.78 2jmx n GLU 48 Ca -0.01 0.84 -0.03 0.00 -0.02 0.00 0.00 57.16 57.94 2jmx n GLU 48 Cb 0.58 -2.59 0.17 0.00 -0.02 0.00 0.00 31.44 29.59 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 5.30 0.20 0.07 3.49 0.13 -1.89 0.87 132.00 140.18 2jmx h PRO 49 Ca -0.45 -0.12 -0.25 0.00 -0.87 0.00 0.00 66.00 64.31 2jmx h PRO 49 Cb 1.25 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2jmx h PRO 49 CO 0.84 0.68 -1.11 0.87 -0.23 0.00 0.00 178.00 179.05 2jmx h LYS 50 N 0.15 0.24 0.00 0.86 1.57 -1.94 -3.31 116.57 114.15 2jmx h LYS 50 Ca 0.00 -0.36 -0.24 0.00 -1.87 0.00 0.00 60.65 58.19 2jmx h LYS 50 Cb 0.99 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 2jmx h LYS 50 CO 0.08 1.13 -1.49 1.98 -0.57 0.00 0.00 179.45 180.58 2jmx h MET 51 N 0.09 0.00 -0.99 3.15 4.05 -1.79 -3.36 114.93 116.08 2jmx h MET 51 Ca -0.09 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.39 2jmx h MET 51 Cb 1.82 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 32.55 2jmx h MET 51 CO 0.18 0.48 0.64 0.00 0.23 0.00 0.00 176.91 178.43 2jmx h ALA 52 N 1.15 1.37 -0.87 0.39 0.00 0.72 -1.56 119.26 120.46 2jmx h ALA 52 Ca -0.21 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jmx h ALA 52 Cb 1.83 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 2jmx h ALA 52 CO 0.07 0.44 0.58 0.00 0.00 0.00 0.00 179.25 180.34 2jmx h ALA 53 N 1.44 1.39 -0.09 0.00 0.00 -1.71 0.53 119.26 120.82 2jmx h ALA 53 Ca 0.42 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2jmx h ALA 53 Cb 0.15 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2jmx h ALA 53 CO -0.17 0.56 -0.14 0.77 0.00 0.00 0.00 179.25 180.27 2jmx h SER 54 N 1.17 0.28 0.41 0.00 0.02 -1.49 0.65 113.55 114.60 2jmx h SER 54 Ca 0.32 -0.53 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 2jmx h SER 54 Cb -0.11 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2jmx h SER 54 CO -0.07 0.76 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.99 2jmx h LEU 55 N -0.18 0.00 0.00 5.07 3.38 -1.16 -3.18 115.31 119.24 2jmx h LEU 55 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2jmx h LEU 55 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2jmx h LEU 55 CO 0.03 0.32 -1.91 -0.11 0.09 0.00 0.00 178.44 176.87 2jmx n LEU 56 N -3.98 0.21 -4.55 1.67 0.00 0.16 -4.98 117.00 105.53 2jmx n LEU 56 Ca -0.02 0.09 -0.39 0.00 0.00 0.00 0.00 56.01 55.69 2jmx n LEU 56 Cb 0.38 0.13 0.03 0.00 0.00 0.00 0.00 43.42 43.96 2jmx n LEU 56 CO 0.37 0.12 0.34 0.59 0.00 0.00 0.00 177.39 178.82 2jmx n ASN 57 N -2.51 0.10 0.00 1.96 4.13 0.23 -4.87 115.26 114.30 2jmx n ASN 57 Ca -0.11 0.84 0.16 0.00 1.68 0.00 0.00 54.58 57.14 2jmx n ASN 57 Cb 0.75 -1.28 0.92 0.00 -1.54 0.00 0.00 39.78 38.63 2jmx n ASN 57 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2jmx n PRO 58 N -0.28 0.92 -0.00 3.52 -0.04 -1.26 -3.66 135.00 134.21 2jmx n PRO 58 Ca 0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 2jmx n PRO 58 Cb 0.45 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 2jmx n PRO 58 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2jmx h TYR 59 N 0.00 0.30 -0.11 0.54 0.05 -1.92 -3.34 116.97 112.49 2jmx h TYR 59 Ca 0.00 -0.22 0.03 0.00 0.05 0.00 0.00 58.73 58.59 2jmx h TYR 59 Cb 0.04 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 2jmx h TYR 59 CO 0.00 1.46 0.12 0.28 -1.05 0.00 0.00 178.16 178.98 2jmx h VAL 60 N 0.05 0.49 -2.66 -2.88 2.07 -1.82 -3.48 116.25 108.02 2jmx h VAL 60 Ca -0.36 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.39 2jmx h VAL 60 Cb 2.03 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 32.64 2jmx h VAL 60 CO 0.09 0.00 -0.31 1.17 0.02 0.00 0.00 177.57 178.55 2jmx n LYS 61 N -3.81 -1.71 -0.09 1.57 4.81 -1.26 -3.11 118.16 114.56 2jmx n LYS 61 Ca -0.00 1.12 -0.18 0.00 -0.87 0.00 0.00 58.31 58.39 2jmx n LYS 61 Cb 0.23 -2.08 -0.06 0.00 0.02 0.00 0.00 35.03 33.14 2jmx n LYS 61 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2jmx n ARG 62 N -3.27 0.45 -0.33 1.64 0.00 -1.26 -3.74 116.66 110.15 2jmx n ARG 62 Ca 0.01 0.19 -0.00 0.00 -0.00 0.00 0.00 57.85 58.05 2jmx n ARG 62 Cb 0.39 -1.27 0.13 0.00 0.00 0.00 0.00 32.46 31.71 2jmx n ARG 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2jmx h SER 63 N -0.79 0.93 -0.48 6.15 0.87 -1.90 -1.25 113.55 117.07 2jmx h SER 63 Ca -0.35 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.11 2jmx h SER 63 Cb 1.23 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2jmx h SER 63 CO -0.21 0.62 -0.11 0.58 -0.53 0.00 0.00 176.83 177.17 2jmx h VAL 64 N 1.08 1.27 -0.57 2.23 2.07 -1.81 -2.80 116.25 117.72 2jmx h VAL 64 Ca 0.37 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.67 2jmx h VAL 64 Cb 0.08 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2jmx h VAL 64 CO -0.14 0.43 0.38 0.50 0.02 0.00 0.00 177.57 178.76 2jmx h LYS 65 N 0.77 0.66 -0.81 1.57 3.64 -1.26 -1.71 116.57 119.44 2jmx h LYS 65 Ca 0.12 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2jmx h LYS 65 Cb 0.67 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 2jmx h LYS 65 CO 0.05 0.44 0.52 0.28 -2.27 0.00 0.00 179.45 178.46 2jmx h VAL 66 N 0.68 1.13 -0.26 2.00 2.07 -0.98 0.43 116.25 121.31 2jmx h VAL 66 Ca 0.22 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 2jmx h VAL 66 Cb 0.06 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2jmx h VAL 66 CO -0.06 0.18 -0.35 0.50 0.02 0.00 0.00 177.57 177.86 2jmx h LYS 67 N 1.01 0.69 -0.57 1.57 3.64 -1.38 -2.84 116.57 118.69 2jmx h LYS 67 Ca 0.32 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2jmx h LYS 67 Cb 0.01 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2jmx h LYS 67 CO -0.11 1.02 0.24 1.03 -2.27 0.00 0.00 179.45 179.36 2jmx h SER 68 N 0.42 0.75 -0.37 4.20 0.87 -0.75 -2.24 113.55 116.43 2jmx h SER 68 Ca 0.03 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2jmx h SER 68 Cb 0.94 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 2jmx h SER 68 CO 0.08 0.67 0.22 0.25 -0.53 0.00 0.00 176.83 177.52 2jmx h LEU 69 N 0.82 0.44 -0.84 2.23 5.85 -0.03 -1.54 115.31 122.23 2jmx h LEU 69 Ca 0.20 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2jmx h LEU 69 Cb 0.14 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2jmx h LEU 69 CO -0.02 0.36 0.48 0.77 -0.34 0.00 0.00 178.44 179.69 2jmx h SER 70 N 0.48 1.04 0.72 1.25 4.64 -1.24 -0.82 113.55 119.61 2jmx h SER 70 Ca 0.13 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2jmx h SER 70 Cb 0.00 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 2jmx h SER 70 CO -0.02 0.83 0.00 -0.78 -0.87 0.00 0.00 176.83 175.98 2jmx h ASP 71 N 1.17 0.00 0.08 4.97 1.82 -0.95 -2.06 116.42 121.45 2jmx h ASP 71 Ca 0.30 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.66 2jmx h ASP 71 Cb 0.01 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 2jmx h ASP 71 CO -0.05 0.00 -1.46 -0.03 -1.61 0.00 0.00 179.24 176.09 2jmx h MET 72 N 0.00 0.16 -0.85 0.28 4.05 -0.25 -3.31 114.93 115.02 2jmx h MET 72 Ca 0.00 -0.28 0.10 0.00 -0.28 0.00 0.00 59.70 59.24 2jmx h MET 72 Cb 0.36 0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.20 2jmx h MET 72 CO 0.00 1.13 0.55 1.15 0.23 0.00 0.00 176.91 179.98 2jmx h THR 73 N -0.45 0.94 -0.95 -0.77 2.02 -1.05 0.56 112.91 113.22 2jmx h THR 73 Ca -0.34 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 66.60 2jmx h THR 73 Cb 1.66 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 2jmx h THR 73 CO -0.02 0.15 0.62 0.00 0.37 0.00 0.00 175.52 176.64 2jmx h ALA 74 N 1.58 1.37 0.05 6.16 0.00 -1.49 -1.87 119.26 125.06 2jmx h ALA 74 Ca 0.40 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.96 2jmx h ALA 74 Cb 0.46 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2jmx h ALA 74 CO -0.16 0.56 -1.55 0.87 0.00 0.00 0.00 179.25 178.97 2jmx h LYS 75 N 1.23 0.11 0.00 0.00 1.57 -1.22 -3.31 116.57 114.95 2jmx h LYS 75 Ca 0.36 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2jmx h LYS 75 Cb -0.05 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2jmx h LYS 75 CO -0.10 0.87 0.00 0.39 -0.57 0.00 0.00 179.45 180.04 2jmx n GLU 76 N -3.29 0.18 -3.59 3.15 -0.58 0.18 -4.89 120.64 111.80 2jmx n GLU 76 Ca -0.15 0.47 -0.21 0.00 -0.42 0.00 0.00 57.16 56.85 2jmx n GLU 76 Cb 1.03 -1.89 0.06 0.00 -0.57 0.00 0.00 31.44 30.07 2jmx n GLU 76 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jmx n LYS 77 N -2.24 -6.13 -0.03 3.49 4.76 -0.73 -4.97 118.16 112.32 2jmx n LYS 77 Ca 0.01 0.74 -0.03 0.00 -2.87 0.00 0.00 58.31 56.17 2jmx n LYS 77 Cb 0.18 -5.60 0.03 0.00 -1.84 0.00 0.00 35.03 27.80 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2jmx n PHE 78 N -4.36 -1.85 -3.14 2.13 3.72 -1.24 -5.03 117.46 107.69 2jmx n PHE 78 Ca -0.22 -0.06 -0.20 0.00 -0.05 0.00 0.00 57.45 56.92 2jmx n PHE 78 Cb 0.64 -0.14 0.06 0.00 -0.94 0.00 0.00 39.48 39.11 2jmx n PHE 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jmx n SER 79 N -2.70 2.20 0.16 4.37 7.64 -1.26 -4.96 113.62 119.07 2jmx n SER 79 Ca 0.01 -2.59 0.13 0.00 1.01 0.00 0.00 58.87 57.43 2jmx n SER 79 Cb 0.05 -0.38 0.58 0.00 -1.01 0.00 0.00 64.21 63.45 2jmx n SER 79 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2jmx h PRO 80 N 0.00 0.00 -0.24 1.43 0.13 -1.96 -2.65 132.00 128.72 2jmx h PRO 80 Ca -0.28 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 2jmx h PRO 80 Cb 1.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 2jmx h PRO 80 CO 0.41 0.00 -0.13 1.28 -0.23 0.00 0.00 178.00 179.32 2jmx n LEU 81 N -2.36 3.66 -0.47 1.56 4.77 -1.26 -4.63 117.00 118.26 2jmx n LEU 81 Ca 0.01 -3.61 0.03 0.00 -0.03 0.00 0.00 56.01 52.40 2jmx n LEU 81 Cb 0.17 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 40.71 2jmx n LEU 81 CO 0.17 1.14 0.31 0.41 -1.33 0.00 0.00 177.39 178.09 2jmx n THR 82 N -1.06 0.48 -2.04 -5.08 -1.04 -1.00 -4.76 114.28 99.79 2jmx n THR 82 Ca 0.27 -0.66 -0.09 0.00 -2.04 0.00 0.00 64.05 61.54 2jmx n THR 82 Cb 0.91 0.35 0.08 0.00 -1.82 0.00 0.00 70.33 69.86 2jmx n THR 82 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2jmx n SER 83 N -0.32 3.12 0.17 8.00 2.88 -1.26 -4.33 113.62 121.89 2jmx n SER 83 Ca 0.04 -3.42 0.00 0.00 -1.33 0.00 0.00 58.87 54.17 2jmx n SER 83 Cb 0.72 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2jmx n SER 83 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jmx n ASN 84 N -0.72 -1.38 0.18 -3.46 3.02 -1.26 -4.80 115.26 106.84 2jmx n ASN 84 Ca 0.28 0.62 0.15 0.00 -0.03 0.00 0.00 54.58 55.61 2jmx n ASN 84 Cb 0.88 1.46 0.76 0.00 -0.61 0.00 0.00 39.78 42.26 2jmx n ASN 84 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2jmx h LEU 85 N 0.00 0.00 -1.26 3.41 5.85 -1.85 -0.25 115.31 121.21 2jmx h LEU 85 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 2jmx h LEU 85 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2jmx h LEU 85 CO 0.00 0.00 0.54 -0.29 -0.34 0.00 0.00 178.44 178.35 2jmx h ILE 86 N 0.00 1.02 -0.17 4.05 2.10 -1.87 -1.55 117.51 121.09 2jmx h ILE 86 Ca 0.10 -0.30 -0.02 0.00 1.08 0.00 0.00 64.86 65.71 2jmx h ILE 86 Cb 0.44 0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 36.23 2jmx h ILE 86 CO -0.00 0.16 0.02 0.78 -1.08 0.00 0.00 178.15 178.03 2jmx h ASN 87 N 0.88 0.28 -0.91 2.19 4.21 -1.37 -2.73 115.58 118.13 2jmx h ASN 87 Ca 0.36 -0.27 0.17 0.00 1.21 0.00 0.00 56.30 57.77 2jmx h ASN 87 Cb 0.28 -0.07 -0.10 0.00 -1.12 0.00 0.00 38.32 37.30 2jmx h ASN 87 CO -0.14 0.49 0.50 -0.07 -1.29 0.00 0.00 177.43 176.92 2jmx h LEU 88 N 0.07 0.62 -0.96 1.61 3.38 -1.30 0.79 115.31 119.51 2jmx h LEU 88 Ca 0.05 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2jmx h LEU 88 Cb 0.33 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2jmx h LEU 88 CO 0.00 0.23 0.51 -0.07 0.09 0.00 0.00 178.44 179.20 2jmx h LEU 89 N 0.67 1.10 -3.67 1.67 3.38 -1.10 -2.36 115.31 115.00 2jmx h LEU 89 Ca 0.51 -0.09 -0.33 0.00 0.09 0.00 0.00 57.88 58.07 2jmx h LEU 89 Cb 0.77 -0.28 -0.20 0.00 0.09 0.00 0.00 40.66 41.04 2jmx h LEU 89 CO -0.38 0.87 0.28 0.00 0.09 0.00 0.00 178.44 179.30 2jmx n ALA 90 N -2.41 4.88 -0.12 1.53 0.00 0.45 -1.09 120.51 123.75 2jmx n ALA 90 Ca 0.10 -2.96 -0.23 0.00 0.00 0.00 0.00 53.44 50.35 2jmx n ALA 90 Cb 0.08 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.05 0.52 -0.84 0.00 2.13 0.25 -4.44 120.64 117.21 2jmx n GLU 91 Ca 0.46 0.20 -0.06 0.00 0.66 0.00 0.00 57.16 58.41 2jmx n GLU 91 Cb 1.35 -1.38 0.21 0.00 0.27 0.00 0.00 31.44 31.89 2jmx n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2jmx n ASN 92 N -3.81 2.92 -1.37 4.31 2.85 -1.25 -4.92 115.26 114.00 2jmx n ASN 92 Ca -0.45 -3.65 -0.02 0.00 -0.11 0.00 0.00 54.58 50.35 2jmx n ASN 92 Cb 0.86 -0.66 0.01 0.00 1.24 0.00 0.00 39.78 41.23 2jmx n ASN 92 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jmx n GLY 93 N -1.02 0.40 1.92 8.20 0.00 -1.26 -4.98 105.19 108.44 2jmx n GLY 93 Ca 0.37 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.44 2.65 -1.90 1.61 3.00 -0.25 -4.67 116.66 115.66 2jmx n ARG 94 Ca -0.03 -3.47 -0.34 0.00 -0.00 0.00 0.00 57.85 54.01 2jmx n ARG 94 Cb 0.52 -2.14 0.04 0.00 0.00 0.00 0.00 32.46 30.88 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 -0.95 6.74 0.09 6.15 4.77 -1.22 -3.76 117.00 128.81 2jmx n LEU 95 Ca 0.49 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.70 2jmx n LEU 95 Cb 0.97 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2jmx n LEU 95 CO 0.50 1.82 -0.04 0.35 -1.33 0.00 0.00 177.39 178.70 2jmx n THR 96 N -0.64 0.46 -1.00 -5.08 -2.24 -1.26 -4.80 114.28 99.72 2jmx n THR 96 Ca 0.52 0.15 -0.01 0.00 -2.27 0.00 0.00 64.05 62.44 2jmx n THR 96 Cb 0.50 -0.98 0.34 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 -3.37 5.16 -0.23 3.42 3.02 -1.26 -4.67 115.26 117.33 2jmx n ASN 97 Ca 0.00 -3.13 0.03 0.00 -0.03 0.00 0.00 54.58 51.44 2jmx n ASN 97 Cb 0.04 -0.73 0.12 0.00 -0.61 0.00 0.00 39.78 38.60 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 3.13 0.41 -0.28 3.41 2.02 -1.87 0.92 112.91 120.64 2jmx h THR 98 Ca 0.18 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 2jmx h THR 98 Cb 2.22 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 2jmx h THR 98 CO 0.66 0.02 -0.04 1.55 0.37 0.00 0.00 175.52 178.08 2jmx h PRO 99 N 0.10 0.44 -0.95 6.66 0.13 -1.92 -2.37 132.00 134.08 2jmx h PRO 99 Ca 0.36 -0.09 0.02 0.00 -0.87 0.00 0.00 66.00 65.42 2jmx h PRO 99 Cb 0.60 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.62 2jmx h PRO 99 CO -0.61 0.49 0.63 0.00 -0.23 0.00 0.00 178.00 178.28 2jmx h ALA 100 N 1.55 1.24 -0.29 -0.56 0.00 -1.17 0.07 119.26 120.10 2jmx h ALA 100 Ca 0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2jmx h ALA 100 Cb 0.33 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jmx h ALA 100 CO 0.01 0.55 -0.25 0.28 0.00 0.00 0.00 179.25 179.84 2jmx h VAL 101 N 1.24 1.27 -0.14 0.00 2.07 -1.10 -2.98 116.25 116.62 2jmx h VAL 101 Ca 0.37 -1.30 -0.17 0.00 0.82 0.00 0.00 66.70 66.42 2jmx h VAL 101 Cb -0.07 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2jmx h VAL 101 CO -0.10 0.42 -0.61 0.40 0.02 0.00 0.00 177.57 177.70 2jmx h ILE 102 N 0.50 1.34 -0.68 4.57 2.04 -0.97 -3.16 117.51 121.14 2jmx h ILE 102 Ca 0.07 -1.91 0.06 0.00 1.00 0.00 0.00 64.86 64.08 2jmx h ILE 102 Cb 0.70 1.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.62 2jmx h ILE 102 CO 0.05 0.58 0.39 0.28 0.00 0.00 0.00 178.15 179.45 2jmx h SER 103 N 0.35 0.58 -0.43 1.72 0.02 -0.86 0.12 113.55 115.04 2jmx h SER 103 Ca -0.01 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 2jmx h SER 103 Cb 1.16 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 2jmx h SER 103 CO 0.11 0.37 0.29 0.00 -1.14 0.00 0.00 176.83 176.46 2jmx h ALA 104 N 1.35 2.00 -0.69 3.77 0.00 -1.51 -1.78 119.26 122.40 2jmx h ALA 104 Ca 0.30 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.28 2jmx h ALA 104 Cb 0.18 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2jmx h ALA 104 CO -0.18 -0.08 0.35 0.35 0.00 0.00 0.00 179.25 179.69 2jmx h PHE 105 N 0.32 0.64 -0.65 0.00 3.04 -1.00 0.32 116.94 119.61 2jmx h PHE 105 Ca 0.19 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.11 2jmx h PHE 105 Cb 0.35 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.65 2jmx h PHE 105 CO -0.00 0.25 0.19 0.77 -2.02 0.00 0.00 178.31 177.51 2jmx h SER 106 N 0.62 0.95 -0.07 0.41 0.02 -1.31 -0.02 113.55 114.16 2jmx h SER 106 Ca 0.33 -0.21 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 2jmx h SER 106 Cb 0.30 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2jmx h SER 106 CO -0.24 0.92 -0.51 0.74 -1.14 0.00 0.00 176.83 176.59 2jmx h THR 107 N 0.94 1.31 -0.20 -2.27 2.02 -1.26 -3.02 112.91 110.43 2jmx h THR 107 Ca 0.21 -1.73 -0.12 0.00 0.77 0.00 0.00 66.41 65.54 2jmx h THR 107 Cb 0.31 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2jmx h THR 107 CO -0.00 0.55 -0.37 0.24 0.37 0.00 0.00 175.52 176.30 2jmx h MET 108 N 0.50 0.45 -0.88 6.66 2.07 -0.15 -2.93 114.93 120.65 2jmx h MET 108 Ca 0.02 -0.21 0.04 0.00 -2.07 0.00 0.00 59.70 57.48 2jmx h MET 108 Cb 1.07 -0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 30.74 2jmx h MET 108 CO 0.10 0.75 0.56 1.98 1.07 0.00 0.00 176.91 181.38 2jmx h MET 109 N 0.38 1.04 -0.55 1.72 -1.53 -0.88 -0.75 114.93 114.37 2jmx h MET 109 Ca 0.04 -0.06 0.11 0.00 -3.44 0.00 0.00 59.70 56.35 2jmx h MET 109 Cb 0.82 -0.23 -0.03 0.00 -0.55 0.00 0.00 31.60 31.61 2jmx h MET 109 CO 0.07 0.69 0.37 0.77 0.14 0.00 0.00 176.91 178.95 2jmx h SER 110 N 1.07 0.24 0.66 1.39 0.02 -1.45 0.20 113.55 115.68 2jmx h SER 110 Ca 0.36 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2jmx h SER 110 Cb 0.05 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2jmx h SER 110 CO -0.13 0.14 0.00 0.52 -1.14 0.00 0.00 176.83 176.22 2jmx n VAL 111 N -4.45 0.16 0.06 2.27 0.31 -0.30 -2.96 118.33 113.42 2jmx n VAL 111 Ca 0.09 0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.50 2jmx n VAL 111 Cb 0.42 -0.59 -0.05 0.00 -0.91 0.00 0.00 33.84 32.71 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 -0.49 -3.33 115.15 114.85 2jmx h HIS 112 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 2jmx h HIS 112 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.68 2jmx h HIS 112 CO 0.00 0.38 -1.96 -2.13 -0.00 0.00 0.00 177.93 174.22 2jmx n ARG 113 N -2.83 0.66 -1.41 5.12 0.63 -1.19 -4.26 116.66 113.38 2jmx n ARG 113 Ca -0.06 0.20 -0.34 0.00 -0.92 0.00 0.00 57.85 56.72 2jmx n ARG 113 Cb 0.74 -1.70 0.07 0.00 0.45 0.00 0.00 32.46 32.03 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 1.66 5.91 1.80 5.14 0.00 -1.15 -4.56 105.19 113.99 2jmx n GLY 114 Ca -0.23 -2.35 0.00 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.89 0.00 -2.67 1.61 -0.58 -1.25 -4.98 120.64 111.87 2jmx n GLU 115 Ca 0.61 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.92 2jmx n GLU 115 Cb 0.67 -0.10 -0.03 0.00 -0.57 0.00 0.00 31.44 31.41 2jmx n GLU 115 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2jmx s VAL 116 N -2.00 4.37 0.06 2.62 1.01 -1.26 -5.00 120.40 120.20 2jmx s VAL 116 Ca 0.00 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.92 2jmx s VAL 116 Cb 0.00 -4.50 -0.06 0.00 0.00 0.00 0.00 36.38 31.82 2jmx s VAL 116 CO 0.00 -0.81 1.31 -2.16 0.00 0.00 0.00 175.10 173.44 2jmx s PRO 117 N 4.03 4.36 -0.12 2.72 0.04 -1.26 -4.99 135.00 139.78 2jmx s PRO 117 Ca 0.44 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 63.39 2jmx s PRO 117 Cb -0.09 -3.37 0.03 0.00 0.04 0.00 0.00 34.50 31.10 2jmx s PRO 117 CO 0.26 -0.39 -0.08 0.00 0.04 0.00 0.00 177.00 176.82 2jmx s THR 119 N 1.69 2.75 -0.33 0.00 2.01 -1.26 -5.27 115.64 115.23 2jmx s THR 119 Ca 0.04 -1.31 0.03 0.00 0.31 0.00 0.00 61.69 60.76 2jmx s THR 119 Cb -0.13 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.22 2jmx s THR 119 CO -0.08 0.26 0.58 0.52 -0.69 0.00 0.00 174.62 175.21