#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmx n ALA 2 N 0.00 2.63 -3.46 3.13 0.00 -1.26 -5.00 120.51 116.55 2jmx n ALA 2 Ca 0.00 -2.60 -0.28 0.00 0.00 0.00 0.00 53.44 50.56 2jmx n ALA 2 Cb 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.42 0.78 -0.43 0.00 1.02 -1.26 -5.07 119.74 111.36 2jmx s LYS 3 Ca 0.25 -1.74 0.03 0.00 0.02 0.00 0.00 55.97 54.53 2jmx s LYS 3 Cb 0.34 -1.45 0.12 0.00 -0.52 0.00 0.00 37.83 36.31 2jmx s LYS 3 CO -0.05 -1.28 0.16 -0.51 -0.92 0.00 0.00 175.35 172.75 2jmx s LEU 4 N 0.55 4.66 0.05 3.17 2.01 -1.26 -5.09 118.68 122.77 2jmx s LEU 4 Ca 0.24 -2.52 0.02 0.00 0.01 0.00 0.00 54.13 51.88 2jmx s LEU 4 Cb -0.11 -1.66 -0.03 0.00 0.01 0.00 0.00 46.19 44.40 2jmx s LEU 4 CO -0.08 -0.33 -0.07 0.68 1.01 0.00 0.00 176.35 177.55 2jmx s VAL 5 N 0.40 0.54 -0.31 -1.59 -7.23 -1.26 -5.13 120.40 105.81 2jmx s VAL 5 Ca 0.13 -1.26 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 2jmx s VAL 5 Cb -0.22 -0.83 0.13 0.00 0.56 0.00 0.00 36.38 36.03 2jmx s VAL 5 CO -0.04 -0.50 0.27 -0.13 -0.31 0.00 0.00 175.10 174.38 2jmx s ARG 6 N -2.08 0.38 0.55 4.82 0.52 -1.26 -5.14 118.95 116.74 2jmx s ARG 6 Ca -0.06 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.48 2jmx s ARG 6 Cb -0.06 -0.84 -0.06 0.00 0.52 0.00 0.00 34.95 34.51 2jmx s ARG 6 CO -0.01 -1.08 1.08 -1.25 0.02 0.00 0.00 175.30 174.06 2jmx s PRO 7 N 1.98 3.44 0.96 3.54 0.04 -1.26 -5.03 135.00 138.66 2jmx s PRO 7 Ca 0.12 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.44 2jmx s PRO 7 Cb -0.16 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.51 2jmx s PRO 7 CO -0.24 -0.74 1.13 -1.25 0.04 0.00 0.00 177.00 175.93 2jmx s PRO 8 N -3.54 0.76 -0.01 0.56 0.04 -1.26 -5.08 135.00 126.47 2jmx s PRO 8 Ca 0.68 0.32 0.01 0.00 0.04 0.00 0.00 61.00 62.05 2jmx s PRO 8 Cb -0.19 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2jmx s PRO 8 CO 0.28 -2.46 -0.04 0.08 0.04 0.00 0.00 177.00 174.90 2jmx s VAL 9 N -3.18 0.38 0.01 -0.36 1.01 -1.26 -5.15 120.40 111.84 2jmx s VAL 9 Ca 0.65 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2jmx s VAL 9 Cb -0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2jmx s VAL 9 CO 0.55 0.12 -0.23 -1.58 0.00 0.00 0.00 175.10 173.96 2jmx s GLN 10 N 0.09 1.71 0.02 2.72 2.00 -1.26 -4.98 119.66 119.95 2jmx s GLN 10 Ca -0.01 -0.90 0.00 0.00 -2.00 0.00 0.00 55.36 52.45 2jmx s GLN 10 Cb -0.04 -1.74 0.00 0.00 0.80 0.00 0.00 33.01 32.03 2jmx s GLN 10 CO -0.00 0.46 0.00 -0.89 -0.50 0.00 0.00 175.29 174.36 2jmx n ILE 11 N 2.20-11.57 -3.35 -2.34 2.08 -1.26 -5.01 119.36 100.11 2jmx n ILE 11 Ca -0.16 2.74 -0.25 0.00 0.56 0.00 0.00 62.75 65.63 2jmx n ILE 11 Cb 0.52 -5.44 -0.09 0.00 -0.75 0.00 0.00 39.64 33.88 2jmx n ILE 11 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 2jmx s TYR 12 N -0.52 0.82 0.00 1.39 1.13 -1.26 -5.06 117.35 113.86 2jmx s TYR 12 Ca 0.00 -2.12 0.00 0.00 -1.41 0.00 0.00 57.07 53.54 2jmx s TYR 12 Cb 0.00 -0.81 0.00 0.00 -1.10 0.00 0.00 41.96 40.05 2jmx s TYR 12 CO 0.00 -0.87 0.00 0.41 -2.51 0.00 0.00 175.55 172.58 2jmx n GLY 13 N 2.96 3.40 0.50 5.49 0.00 -1.26 -4.88 105.19 111.41 2jmx n GLY 13 Ca 0.27 -0.59 0.34 0.00 0.00 0.00 0.00 46.02 46.04 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 0.32 -0.73 -0.61 -0.00 -2.03 0.32 117.51 114.79 2jmx h ILE 14 Ca 0.00 -0.05 0.14 0.00 -0.00 0.00 0.00 64.86 64.96 2jmx h ILE 14 Cb 0.00 0.17 -0.05 0.00 -0.00 0.00 0.00 36.82 36.95 2jmx h ILE 14 CO 0.00 0.02 0.49 -0.08 -0.00 0.00 0.00 178.15 178.59 2jmx h GLU 15 N 0.14 0.40 -0.77 2.19 4.81 -1.98 0.43 114.58 119.79 2jmx h GLU 15 Ca 0.68 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.91 2jmx h GLU 15 Cb 2.30 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 31.55 2jmx h GLU 15 CO -0.19 0.26 0.51 0.78 -0.73 0.00 0.00 179.01 179.63 2jmx h GLY 16 N 0.41 1.07 1.58 1.92 0.00 -0.67 -1.09 103.07 106.30 2jmx h GLY 16 Ca 0.36 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.34 2jmx h GLY 16 CO -0.11 0.36 0.17 3.21 0.00 0.00 0.00 176.54 180.17 2jmx h ARG 17 N 0.99 0.00 -0.95 4.80 3.08 -1.03 -1.74 114.38 119.54 2jmx h ARG 17 Ca 0.29 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.42 2jmx h ARG 17 Cb -0.04 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 2jmx h ARG 17 CO -0.07 0.00 0.61 1.88 -1.07 0.00 0.00 179.97 181.32 2jmx h TYR 18 N 0.00 1.10 0.12 3.04 -1.99 -1.26 1.26 116.97 119.23 2jmx h TYR 18 Ca 0.07 0.03 -0.29 0.00 2.00 0.00 0.00 58.73 60.54 2jmx h TYR 18 Cb 0.41 -0.36 0.02 0.00 2.00 0.00 0.00 36.73 38.80 2jmx h TYR 18 CO 0.00 0.55 -1.22 0.00 -0.00 0.00 0.00 178.16 177.48 2jmx h ALA 19 N 1.50 0.04 0.00 3.88 0.00 -1.47 -2.62 119.26 120.59 2jmx h ALA 19 Ca 0.42 -0.78 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2jmx h ALA 19 Cb 0.26 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2jmx h ALA 19 CO -0.17 0.74 -0.64 1.79 0.00 0.00 0.00 179.25 180.97 2jmx h THR 20 N 0.24 1.24 0.00 0.00 1.35 -1.29 0.74 112.91 115.19 2jmx h THR 20 Ca -0.17 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 2jmx h THR 20 Cb 1.90 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 70.67 2jmx h THR 20 CO 0.23 0.62 -0.15 0.00 -0.25 0.00 0.00 175.52 175.97 2jmx h ALA 21 N 1.36 0.91 0.03 6.62 0.00 0.15 -0.96 119.26 127.38 2jmx h ALA 21 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 2jmx h ALA 21 Cb 1.30 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2jmx h ALA 21 CO 0.08 0.00 -2.28 -0.11 0.00 0.00 0.00 179.25 176.94 2jmx n LEU 22 N -2.55 2.60 0.14 0.00 7.94 -0.99 -4.19 117.00 119.96 2jmx n LEU 22 Ca 0.04 0.09 0.13 0.00 -1.11 0.00 0.00 56.01 55.16 2jmx n LEU 22 Cb 0.47 -0.94 0.41 0.00 0.53 0.00 0.00 43.42 43.89 2jmx n LEU 22 CO 0.33 0.79 0.88 0.10 -1.11 0.00 0.00 177.39 178.38 2jmx h TYR 23 N -0.27 0.00 -0.99 1.96 -0.00 -0.97 -3.20 116.97 113.50 2jmx h TYR 23 Ca -0.55 0.00 0.19 0.00 0.00 0.00 0.00 58.73 58.37 2jmx h TYR 23 Cb 1.82 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 38.44 2jmx h TYR 23 CO 0.02 0.00 0.60 1.03 -0.00 0.00 0.00 178.16 179.81 2jmx h SER 24 N 0.00 0.75 -0.10 0.10 0.87 -1.33 1.16 113.55 115.00 2jmx h SER 24 Ca 0.00 0.10 -0.19 0.00 -1.23 0.00 0.00 61.79 60.47 2jmx h SER 24 Cb 0.67 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2jmx h SER 24 CO 0.00 0.25 -0.68 0.00 -0.53 0.00 0.00 176.83 175.87 2jmx h ALA 25 N 1.65 0.22 -1.01 6.23 0.00 -1.79 -3.12 119.26 121.45 2jmx h ALA 25 Ca 0.58 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 55.03 2jmx h ALA 25 Cb 0.93 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2jmx h ALA 25 CO -0.40 0.53 0.64 0.00 0.00 0.00 0.00 179.25 180.02 2jmx h ALA 26 N 0.48 1.49 -0.87 0.00 0.00 -0.07 -0.76 119.26 119.52 2jmx h ALA 26 Ca -0.06 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2jmx h ALA 26 Cb 1.32 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2jmx h ALA 26 CO 0.14 0.28 0.53 0.66 0.00 0.00 0.00 179.25 180.86 2jmx h SER 27 N 1.04 0.80 -0.61 0.00 4.64 0.11 0.62 113.55 120.16 2jmx h SER 27 Ca 0.48 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.75 2jmx h SER 27 Cb 0.42 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2jmx h SER 27 CO -0.25 0.48 0.06 0.11 -0.87 0.00 0.00 176.83 176.37 2jmx h LYS 28 N 0.92 1.05 -0.13 4.77 1.79 -1.17 -2.45 116.57 121.35 2jmx h LYS 28 Ca 0.40 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2jmx h LYS 28 Cb 0.29 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2jmx h LYS 28 CO -0.21 0.98 0.00 1.04 -1.08 0.00 0.00 179.45 180.18 2jmx n GLN 29 N -4.20 1.61 -3.29 3.15 6.02 -0.36 -4.93 117.38 115.38 2jmx n GLN 29 Ca 0.04 -0.91 -0.17 0.00 -0.01 0.00 0.00 57.00 55.94 2jmx n GLN 29 Cb 0.31 -1.39 0.06 0.00 1.02 0.00 0.00 30.24 30.24 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 0.13 -4.58 -1.04 1.08 2.85 0.19 -4.93 115.26 108.96 2jmx n ASN 30 Ca 0.16 -0.43 0.08 0.00 -0.11 0.00 0.00 54.58 54.28 2jmx n ASN 30 Cb 0.29 -4.00 0.26 0.00 1.24 0.00 0.00 39.78 37.57 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 -3.83 3.20 -0.34 1.20 4.76 0.38 -4.64 118.16 118.89 2jmx n LYS 31 Ca -0.05 -2.60 0.20 0.00 -2.87 0.00 0.00 58.31 52.99 2jmx n LYS 31 Cb 0.57 -1.67 0.43 0.00 -1.84 0.00 0.00 35.03 32.52 2jmx n LYS 31 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2jmx h LEU 32 N 2.63 0.59 -0.06 -0.35 -0.00 -1.92 0.64 115.31 116.83 2jmx h LEU 32 Ca 0.00 0.12 -0.21 0.00 -0.00 0.00 0.00 57.88 57.79 2jmx h LEU 32 Cb 1.22 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2jmx h LEU 32 CO 0.16 0.10 -0.77 -0.33 -0.00 0.00 0.00 178.44 177.60 2jmx h GLU 33 N 0.51 0.63 0.00 1.13 4.39 -1.97 0.82 114.58 120.10 2jmx h GLU 33 Ca 0.63 -0.59 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2jmx h GLU 33 Cb 1.34 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 30.13 2jmx h GLU 33 CO -0.41 1.21 -0.07 0.37 -1.16 0.00 0.00 179.01 178.95 2jmx h GLN 34 N 0.27 0.00 0.00 2.33 5.75 -0.54 -1.96 115.11 120.96 2jmx h GLN 34 Ca -0.08 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.10 2jmx h GLN 34 Cb 1.43 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.92 2jmx h GLN 34 CO 0.15 0.07 -2.21 0.28 -2.65 0.00 0.00 178.83 174.48 2jmx n VAL 35 N -4.35 1.21 0.10 2.39 0.31 0.18 -4.13 118.33 114.04 2jmx n VAL 35 Ca -0.03 -0.53 -0.03 0.00 -0.01 0.00 0.00 64.34 63.74 2jmx n VAL 35 Cb 0.15 -1.08 0.19 0.00 -0.91 0.00 0.00 33.84 32.18 2jmx n VAL 35 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2jmx h GLU 36 N 0.00 0.20 0.05 5.55 4.22 0.65 -1.70 114.58 123.55 2jmx h GLU 36 Ca -0.47 -0.11 -0.26 0.00 0.08 0.00 0.00 59.36 58.59 2jmx h GLU 36 Cb 1.82 0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.09 2jmx h GLU 36 CO -0.05 0.66 -1.09 -0.22 -2.18 0.00 0.00 179.01 176.13 2jmx h LYS 37 N 0.16 0.50 -0.02 1.92 1.63 -1.50 -3.07 116.57 116.17 2jmx h LYS 37 Ca 0.00 -0.61 -0.23 0.00 -0.85 0.00 0.00 60.65 58.97 2jmx h LYS 37 Cb 0.95 0.19 0.01 0.00 -0.60 0.00 0.00 32.23 32.78 2jmx h LYS 37 CO 0.08 1.23 -0.93 0.93 -3.45 0.00 0.00 179.45 177.31 2jmx h GLU 38 N 0.25 0.51 -0.72 1.90 3.07 -1.71 -3.13 114.58 114.75 2jmx h GLU 38 Ca -0.13 -0.52 0.08 0.00 -0.50 0.00 0.00 59.36 58.30 2jmx h GLU 38 Cb 1.75 0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 29.75 2jmx h GLU 38 CO 0.20 1.15 0.47 -0.07 -1.40 0.00 0.00 179.01 179.36 2jmx h LEU 39 N 0.30 0.60 -1.58 1.33 3.38 -1.37 -0.65 115.31 117.31 2jmx h LEU 39 Ca -0.08 0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.98 2jmx h LEU 39 Cb 1.56 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 2jmx h LEU 39 CO 0.17 0.37 0.40 0.25 0.09 0.00 0.00 178.44 179.72 2jmx h LEU 40 N 0.67 0.43 -0.75 1.67 6.46 -1.47 -1.81 115.31 120.52 2jmx h LEU 40 Ca 0.32 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.11 2jmx h LEU 40 Cb 0.38 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 2jmx h LEU 40 CO -0.11 0.27 0.49 0.03 -0.62 0.00 0.00 178.44 178.50 2jmx h ARG 41 N 0.49 0.94 -0.86 1.25 3.08 -1.22 -1.74 114.38 116.32 2jmx h ARG 41 Ca 0.27 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 2jmx h ARG 41 Cb 0.42 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2jmx h ARG 41 CO -0.08 0.62 0.53 0.28 -1.07 0.00 0.00 179.97 180.25 2jmx h VAL 42 N 0.97 1.23 -0.08 2.04 2.07 -1.40 -1.06 116.25 120.02 2jmx h VAL 42 Ca 0.29 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2jmx h VAL 42 Cb -0.05 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.73 2jmx h VAL 42 CO -0.09 0.24 0.03 1.23 0.02 0.00 0.00 177.57 179.00 2jmx h GLY 43 N 1.19 0.14 1.19 2.17 0.00 -1.29 -2.73 103.07 103.75 2jmx h GLY 43 Ca 0.31 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.57 2jmx h GLY 43 CO -0.06 0.08 0.52 1.46 0.00 0.00 0.00 176.54 178.54 2jmx h GLN 44 N -0.06 1.01 -0.92 4.80 4.20 -0.98 0.15 115.11 123.32 2jmx h GLN 44 Ca 0.03 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.71 2jmx h GLN 44 Cb 0.22 -0.23 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 2jmx h GLN 44 CO -0.00 0.67 0.59 0.82 -0.67 0.00 0.00 178.83 180.24 2jmx h ILE 45 N 1.04 1.14 0.00 2.54 2.04 -0.94 0.45 117.51 123.79 2jmx h ILE 45 Ca 0.30 -0.39 -0.18 0.00 1.00 0.00 0.00 64.86 65.58 2jmx h ILE 45 Cb -0.08 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 35.87 2jmx h ILE 45 CO -0.07 0.21 -0.91 0.25 0.00 0.00 0.00 178.15 177.63 2jmx h LEU 46 N 1.15 0.00 -0.65 1.44 5.85 -1.08 -3.24 115.31 118.78 2jmx h LEU 46 Ca 0.37 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.95 2jmx h LEU 46 Cb 0.02 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2jmx h LEU 46 CO -0.12 0.81 -0.67 0.50 -0.34 0.00 0.00 178.44 178.61 2jmx h LYS 47 N 0.00 0.00 -6.62 1.25 3.64 0.09 -3.37 116.57 111.56 2jmx h LYS 47 Ca -0.04 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.76 2jmx h LYS 47 Cb 1.65 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.56 2jmx h LYS 47 CO 0.10 0.67 0.56 0.39 -2.27 0.00 0.00 179.45 178.90 2jmx n GLU 48 N -3.73 2.02 -0.01 1.90 -0.58 0.15 -4.79 120.64 115.60 2jmx n GLU 48 Ca -0.01 0.72 -0.11 0.00 -0.42 0.00 0.00 57.16 57.34 2jmx n GLU 48 Cb 0.66 -2.34 0.03 0.00 -0.57 0.00 0.00 31.44 29.22 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 3.67 0.62 0.01 3.49 0.13 -1.90 0.82 132.00 138.84 2jmx h PRO 49 Ca -0.45 -0.41 -0.22 0.00 -0.87 0.00 0.00 66.00 64.05 2jmx h PRO 49 Cb 1.28 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2jmx h PRO 49 CO 0.72 1.02 -0.96 -0.22 -0.23 0.00 0.00 178.00 178.33 2jmx h LYS 50 N 0.46 0.35 0.04 0.86 3.64 -1.95 -3.28 116.57 116.71 2jmx h LYS 50 Ca 0.00 -0.40 -0.26 0.00 -1.27 0.00 0.00 60.65 58.72 2jmx h LYS 50 Cb 1.15 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 2jmx h LYS 50 CO 0.11 1.09 -1.30 1.98 -2.27 0.00 0.00 179.45 179.06 2jmx h MET 51 N 0.19 0.09 -0.82 1.90 4.05 -1.80 -3.32 114.93 115.23 2jmx h MET 51 Ca -0.08 -0.16 0.11 0.00 -0.28 0.00 0.00 59.70 59.29 2jmx h MET 51 Cb 1.60 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 32.40 2jmx h MET 51 CO 0.16 0.95 0.53 0.00 0.23 0.00 0.00 176.91 178.78 2jmx h ALA 52 N 0.82 1.78 -0.13 0.39 0.00 0.61 -0.73 119.26 122.00 2jmx h ALA 52 Ca -0.14 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2jmx h ALA 52 Cb 1.90 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2jmx h ALA 52 CO 0.14 0.05 0.10 0.00 0.00 0.00 0.00 179.25 179.53 2jmx h ALA 53 N 1.60 2.00 0.04 0.00 0.00 -1.66 -2.35 119.26 118.89 2jmx h ALA 53 Ca 0.38 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.02 2jmx h ALA 53 Cb 0.50 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2jmx h ALA 53 CO -0.15 -0.16 -1.45 0.77 0.00 0.00 0.00 179.25 178.25 2jmx h SER 54 N 0.00 0.15 -0.52 0.00 0.02 -1.34 -3.18 113.55 108.67 2jmx h SER 54 Ca 0.06 -0.67 0.11 0.00 -0.84 0.00 0.00 61.79 60.45 2jmx h SER 54 Cb 0.26 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2jmx h SER 54 CO -0.00 1.59 0.36 -0.07 -1.14 0.00 0.00 176.83 177.57 2jmx h LEU 55 N -0.65 0.22 -3.64 5.07 4.07 -1.36 -0.87 115.31 118.15 2jmx h LEU 55 Ca -0.36 0.01 -0.28 0.00 0.08 0.00 0.00 57.88 57.33 2jmx h LEU 55 Cb 1.54 -0.04 -0.17 0.00 1.08 0.00 0.00 40.66 43.07 2jmx h LEU 55 CO -0.10 0.13 0.25 -0.11 -1.08 0.00 0.00 178.44 177.52 2jmx n LEU 56 N -4.45 5.39 -4.74 1.67 0.00 -0.90 -4.84 117.00 109.14 2jmx n LEU 56 Ca 0.09 -3.52 -0.35 0.00 0.00 0.00 0.00 56.01 52.22 2jmx n LEU 56 Cb 0.42 -0.72 -0.08 0.00 0.00 0.00 0.00 43.42 43.04 2jmx n LEU 56 CO 0.35 1.03 -0.24 0.21 0.00 0.00 0.00 177.39 178.74 2jmx s ASN 57 N -1.74 5.80 0.00 1.96 2.47 -0.33 -4.97 114.94 118.12 2jmx s ASN 57 Ca 0.51 0.24 0.31 0.00 0.42 0.00 0.00 52.86 54.34 2jmx s ASN 57 Cb 0.43 -1.87 1.83 0.00 -1.45 0.00 0.00 41.25 40.19 2jmx s ASN 57 CO 0.07 0.31 2.18 -0.81 -3.72 0.00 0.00 177.10 175.13 2jmx n PRO 58 N 2.62 1.03 0.03 0.43 -0.04 -1.26 -3.46 135.00 134.35 2jmx n PRO 58 Ca -0.18 -0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.35 2jmx n PRO 58 Cb 0.54 -1.49 0.19 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.94 0.27 1.08 0.54 4.01 -1.26 -3.99 117.16 116.87 2jmx n TYR 59 Ca 0.23 0.08 0.06 0.00 -0.16 0.00 0.00 57.90 58.11 2jmx n TYR 59 Cb 0.12 -0.45 0.20 0.00 -0.31 0.00 0.00 39.34 38.90 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 -1.82 0.36 -2.08 -0.72 0.31 -1.22 -5.05 118.33 108.12 2jmx n VAL 60 Ca 0.04 -0.39 0.04 0.00 -0.01 0.00 0.00 64.34 64.02 2jmx n VAL 60 Cb 0.39 0.23 -0.01 0.00 -0.91 0.00 0.00 33.84 33.54 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 0.37 -0.62 -0.09 5.55 4.76 -1.26 -3.05 118.16 123.83 2jmx n LYS 61 Ca 0.12 0.41 -0.17 0.00 -2.87 0.00 0.00 58.31 55.79 2jmx n LYS 61 Cb 0.27 -0.75 -0.06 0.00 -1.84 0.00 0.00 35.03 32.65 2jmx n LYS 61 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2jmx n ARG 62 N -1.69 0.40 -0.32 1.97 3.00 -1.26 -3.98 116.66 114.78 2jmx n ARG 62 Ca 0.00 0.17 -0.03 0.00 -0.00 0.00 0.00 57.85 57.99 2jmx n ARG 62 Cb 0.14 -1.19 0.09 0.00 0.00 0.00 0.00 32.46 31.50 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 -0.70 1.00 -0.65 6.15 0.02 -1.90 -1.76 113.55 115.69 2jmx h SER 63 Ca -0.37 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.50 2jmx h SER 63 Cb 1.24 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 2jmx h SER 63 CO -0.22 0.72 0.17 0.58 -1.14 0.00 0.00 176.83 176.94 2jmx h VAL 64 N 1.18 1.26 -0.94 2.27 2.07 -1.82 -2.61 116.25 117.66 2jmx h VAL 64 Ca 0.32 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2jmx h VAL 64 Cb -0.12 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2jmx h VAL 64 CO -0.07 0.35 0.58 0.50 0.02 0.00 0.00 177.57 178.95 2jmx h LYS 65 N 0.97 1.26 -0.60 1.57 3.64 -1.31 -2.23 116.57 119.87 2jmx h LYS 65 Ca 0.21 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2jmx h LYS 65 Cb 0.35 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2jmx h LYS 65 CO -0.00 0.87 0.23 0.28 -2.27 0.00 0.00 179.45 178.56 2jmx h VAL 66 N 1.29 1.23 -0.93 2.00 2.07 -1.03 -2.63 116.25 118.26 2jmx h VAL 66 Ca 0.34 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2jmx h VAL 66 Cb -0.08 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 2jmx h VAL 66 CO -0.07 0.29 0.53 0.11 0.02 0.00 0.00 177.57 178.45 2jmx h LYS 67 N 0.84 1.27 -0.95 1.57 1.57 -1.08 -2.38 116.57 117.41 2jmx h LYS 67 Ca 0.20 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2jmx h LYS 67 Cb 0.22 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2jmx h LYS 67 CO -0.01 0.91 0.62 1.03 -0.57 0.00 0.00 179.45 181.43 2jmx h SER 68 N 1.29 1.10 -0.50 0.86 0.87 -1.07 -2.19 113.55 113.91 2jmx h SER 68 Ca 0.33 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2jmx h SER 68 Cb -0.01 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 2jmx h SER 68 CO -0.06 0.81 0.29 -0.07 -0.53 0.00 0.00 176.83 177.26 2jmx h LEU 69 N 1.29 0.61 -0.81 2.23 3.38 -1.12 -1.20 115.31 119.69 2jmx h LEU 69 Ca 0.35 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.25 2jmx h LEU 69 Cb -0.13 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 2jmx h LEU 69 CO -0.07 0.51 0.53 0.28 0.09 0.00 0.00 178.44 179.78 2jmx h SER 70 N 0.67 0.94 0.83 -0.43 0.02 -1.19 0.49 113.55 114.87 2jmx h SER 70 Ca 0.18 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2jmx h SER 70 Cb 0.03 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 2jmx h SER 70 CO -0.03 0.69 -0.09 0.44 -1.14 0.00 0.00 176.83 176.70 2jmx h ASP 71 N 1.10 0.00 0.08 3.07 5.19 -0.98 -0.92 116.42 123.96 2jmx h ASP 71 Ca 0.30 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.44 2jmx h ASP 71 Cb -0.12 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 2jmx h ASP 71 CO -0.06 0.09 -1.42 -0.03 -3.12 0.00 0.00 179.24 174.69 2jmx h MET 72 N 0.00 0.17 -0.82 3.56 4.05 0.01 -3.32 114.93 118.58 2jmx h MET 72 Ca -0.00 -0.30 0.09 0.00 -0.28 0.00 0.00 59.70 59.21 2jmx h MET 72 Cb 0.52 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 2jmx h MET 72 CO 0.01 1.14 0.54 1.15 0.23 0.00 0.00 176.91 179.98 2jmx h THR 73 N -0.45 0.97 -0.97 -0.77 2.02 0.03 0.88 112.91 114.62 2jmx h THR 73 Ca -0.32 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 66.64 2jmx h THR 73 Cb 1.66 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 2jmx h THR 73 CO -0.01 0.15 0.63 0.00 0.37 0.00 0.00 175.52 176.66 2jmx h ALA 74 N 1.58 1.43 0.03 6.16 0.00 -1.27 -2.00 119.26 125.19 2jmx h ALA 74 Ca 0.38 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.95 2jmx h ALA 74 Cb 0.39 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2jmx h ALA 74 CO -0.15 0.43 -1.78 1.17 0.00 0.00 0.00 179.25 178.92 2jmx n LYS 75 N -4.49 0.66 0.28 0.00 4.81 -0.34 -3.99 118.16 115.10 2jmx n LYS 75 Ca 0.15 0.29 0.19 0.00 -0.87 0.00 0.00 58.31 58.06 2jmx n LYS 75 Cb 0.18 -1.77 0.93 0.00 0.02 0.00 0.00 35.03 34.39 2jmx n LYS 75 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2jmx h GLU 76 N 0.02 0.00 -5.58 1.64 4.81 0.10 -3.46 114.58 112.11 2jmx h GLU 76 Ca -0.32 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.58 2jmx h GLU 76 Cb 2.02 0.00 0.16 0.00 0.63 0.00 0.00 28.75 31.56 2jmx h GLU 76 CO 0.08 0.00 -0.73 1.17 -0.73 0.00 0.00 179.01 178.80 2jmx n LYS 77 N -2.88 -6.70 -0.13 1.92 4.81 -0.78 -4.97 118.16 109.42 2jmx n LYS 77 Ca -0.01 0.82 -0.09 0.00 -0.87 0.00 0.00 58.31 58.16 2jmx n LYS 77 Cb 0.13 -5.78 0.08 0.00 0.02 0.00 0.00 35.03 29.49 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 -4.22 -2.15 -3.42 5.64 3.72 -1.25 -5.03 117.46 110.76 2jmx n PHE 78 Ca -0.22 -0.17 -0.22 0.00 -0.05 0.00 0.00 57.45 56.78 2jmx n PHE 78 Cb 0.64 -0.48 0.04 0.00 -0.94 0.00 0.00 39.48 38.75 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 -2.83 2.41 0.16 4.37 3.41 -1.26 -4.98 113.62 114.89 2jmx n SER 79 Ca 0.04 -2.70 0.13 0.00 -0.26 0.00 0.00 58.87 56.07 2jmx n SER 79 Cb 0.17 -0.26 0.54 0.00 -0.26 0.00 0.00 64.21 64.40 2jmx n SER 79 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2jmx h PRO 80 N 0.00 0.00 -0.36 4.33 0.13 -1.96 -2.68 132.00 131.46 2jmx h PRO 80 Ca -0.31 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.71 2jmx h PRO 80 Cb 1.26 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 2jmx h PRO 80 CO 0.46 0.00 0.02 1.28 -0.23 0.00 0.00 178.00 179.53 2jmx n LEU 81 N -2.39 4.26 -0.43 1.56 4.77 -1.26 -4.55 117.00 118.96 2jmx n LEU 81 Ca 0.02 -3.36 0.04 0.00 -0.03 0.00 0.00 56.01 52.67 2jmx n LEU 81 Cb 0.23 -0.61 0.05 0.00 -2.33 0.00 0.00 43.42 40.77 2jmx n LEU 81 CO 0.21 0.93 0.35 0.41 -1.33 0.00 0.00 177.39 177.95 2jmx n THR 82 N -0.77 0.69 -2.45 -5.08 -1.04 -1.01 -4.72 114.28 99.89 2jmx n THR 82 Ca 0.29 -0.92 -0.23 0.00 -2.04 0.00 0.00 64.05 61.15 2jmx n THR 82 Cb 1.02 0.26 0.01 0.00 -1.82 0.00 0.00 70.33 69.80 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 -0.48 4.21 0.19 8.00 2.88 -1.26 -4.38 113.62 122.79 2jmx n SER 83 Ca 0.06 -3.54 0.00 0.00 -1.33 0.00 0.00 58.87 54.06 2jmx n SER 83 Cb 0.71 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.46 -3.31 0.22 -3.46 3.02 -1.26 -4.86 115.26 105.15 2jmx n ASN 84 Ca 0.35 0.72 0.15 0.00 -0.03 0.00 0.00 54.58 55.77 2jmx n ASN 84 Cb 0.73 3.18 0.79 0.00 -0.61 0.00 0.00 39.78 43.87 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 -0.54 3.41 5.85 -1.84 -0.73 115.31 121.45 2jmx h LEU 85 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2jmx h LEU 85 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2jmx h LEU 85 CO 0.00 0.00 -0.04 0.40 -0.34 0.00 0.00 178.44 178.46 2jmx h ILE 86 N 0.00 1.27 -0.16 4.05 2.04 -1.89 -2.84 117.51 119.97 2jmx h ILE 86 Ca 0.06 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.79 2jmx h ILE 86 Cb 0.31 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2jmx h ILE 86 CO -0.00 0.41 -0.05 0.78 0.00 0.00 0.00 178.15 179.29 2jmx h ASN 87 N 0.86 -0.18 -0.92 1.72 4.21 -1.47 -1.62 115.58 118.18 2jmx h ASN 87 Ca 0.15 0.05 0.16 0.00 1.21 0.00 0.00 56.30 57.87 2jmx h ASN 87 Cb 0.58 0.11 -0.10 0.00 -1.12 0.00 0.00 38.32 37.80 2jmx h ASN 87 CO 0.04 -0.07 0.51 -0.07 -1.29 0.00 0.00 177.43 176.55 2jmx h LEU 88 N -0.02 0.66 -0.92 1.61 4.07 -1.44 0.78 115.31 120.06 2jmx h LEU 88 Ca 0.08 0.09 0.02 0.00 0.08 0.00 0.00 57.88 58.15 2jmx h LEU 88 Cb 0.14 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.81 2jmx h LEU 88 CO -0.18 0.27 0.61 -0.07 -1.08 0.00 0.00 178.44 177.99 2jmx h LEU 89 N 0.71 1.03 -3.64 1.67 3.38 -1.07 -2.15 115.31 115.24 2jmx h LEU 89 Ca 0.50 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 58.15 2jmx h LEU 89 Cb 0.71 -0.25 -0.18 0.00 0.09 0.00 0.00 40.66 41.03 2jmx h LEU 89 CO -0.36 0.73 0.25 0.00 0.09 0.00 0.00 178.44 179.15 2jmx n ALA 90 N -2.35 4.75 -0.12 1.53 0.00 0.20 0.38 120.51 124.90 2jmx n ALA 90 Ca 0.11 -2.90 -0.24 0.00 0.00 0.00 0.00 53.44 50.41 2jmx n ALA 90 Cb 0.04 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.97 0.62 -1.48 0.00 4.07 0.25 -4.50 120.64 118.63 2jmx n GLU 91 Ca 0.44 0.23 -0.04 0.00 -0.06 0.00 0.00 57.16 57.73 2jmx n GLU 91 Cb 1.32 -1.53 0.10 0.00 -0.06 0.00 0.00 31.44 31.26 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 -3.79 2.45 -1.09 4.31 3.02 -1.25 -4.95 115.26 113.97 2jmx n ASN 92 Ca -0.48 -3.24 -0.01 0.00 -0.03 0.00 0.00 54.58 50.82 2jmx n ASN 92 Cb 0.93 -0.43 0.01 0.00 -0.61 0.00 0.00 39.78 39.68 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 -0.62 0.45 1.23 7.41 0.00 -1.26 -4.98 105.19 107.42 2jmx n GLY 93 Ca 0.22 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.14 2.61 -0.99 1.61 5.12 0.16 -4.55 116.66 119.48 2jmx n ARG 94 Ca -0.02 -3.02 -0.12 0.00 -1.93 0.00 0.00 57.85 52.76 2jmx n ARG 94 Cb 0.51 -1.91 0.19 0.00 -1.16 0.00 0.00 32.46 30.09 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 -0.72 5.26 -0.07 0.55 4.77 -0.53 -4.06 117.00 122.19 2jmx n LEU 95 Ca 0.31 -3.70 -0.15 0.00 -0.03 0.00 0.00 56.01 52.44 2jmx n LEU 95 Cb 1.07 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 2jmx n LEU 95 CO 0.24 1.17 -0.92 0.41 -1.33 0.00 0.00 177.39 176.96 2jmx n THR 96 N -1.11 1.10 -1.41 -5.08 -1.04 -1.26 -4.58 114.28 100.90 2jmx n THR 96 Ca 0.44 -0.11 -0.29 0.00 -2.04 0.00 0.00 64.05 62.05 2jmx n THR 96 Cb 1.31 -1.84 0.10 0.00 -1.82 0.00 0.00 70.33 68.08 2jmx n THR 96 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2jmx n ASN 97 N -3.89 6.19 0.12 8.00 3.02 -1.26 -4.67 115.26 122.78 2jmx n ASN 97 Ca -0.27 -3.75 -0.02 0.00 -0.03 0.00 0.00 54.58 50.51 2jmx n ASN 97 Cb 0.63 -0.84 0.21 0.00 -0.61 0.00 0.00 39.78 39.16 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 1.15 1.35 -0.26 3.41 1.03 -1.81 -3.14 112.91 114.65 2jmx h THR 98 Ca 0.56 -1.72 -0.09 0.00 -0.01 0.00 0.00 66.41 65.15 2jmx h THR 98 Cb 1.37 1.87 -0.01 0.00 -1.07 0.00 0.00 68.15 70.30 2jmx h THR 98 CO 1.31 0.50 -0.21 1.55 -0.01 0.00 0.00 175.52 178.66 2jmx h PRO 99 N 0.11 0.47 -0.95 0.00 0.13 -1.91 -2.73 132.00 127.13 2jmx h PRO 99 Ca 0.00 -0.16 0.07 0.00 -0.87 0.00 0.00 66.00 65.04 2jmx h PRO 99 Cb 0.92 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 31.95 2jmx h PRO 99 CO 0.07 0.66 0.62 0.00 -0.23 0.00 0.00 178.00 179.12 2jmx h ALA 100 N 1.35 1.48 -0.63 -0.56 0.00 -1.92 -1.45 119.26 117.54 2jmx h ALA 100 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2jmx h ALA 100 Cb 0.61 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2jmx h ALA 100 CO 0.04 0.36 0.15 0.28 0.00 0.00 0.00 179.25 180.08 2jmx h VAL 101 N 1.07 1.25 -0.70 0.00 2.07 -1.58 -2.64 116.25 115.72 2jmx h VAL 101 Ca 0.42 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 67.01 2jmx h VAL 101 Cb 0.24 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2jmx h VAL 101 CO -0.17 0.35 0.46 0.40 0.02 0.00 0.00 177.57 178.63 2jmx h ILE 102 N 0.92 1.18 -0.22 4.57 2.04 -1.20 -2.43 117.51 122.38 2jmx h ILE 102 Ca 0.20 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2jmx h ILE 102 Cb 0.37 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2jmx h ILE 102 CO 0.00 0.18 0.14 -1.28 0.00 0.00 0.00 178.15 177.20 2jmx h SER 103 N 0.95 0.24 -0.57 1.72 0.87 -1.06 -1.49 113.55 114.22 2jmx h SER 103 Ca 0.26 -0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.90 2jmx h SER 103 Cb -0.10 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 2jmx h SER 103 CO -0.05 0.18 0.38 0.00 -0.53 0.00 0.00 176.83 176.80 2jmx h ALA 104 N 1.09 2.00 -0.59 6.23 0.00 -1.32 -1.53 119.26 125.14 2jmx h ALA 104 Ca 0.08 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2jmx h ALA 104 Cb -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 2jmx h ALA 104 CO -0.02 -0.13 0.28 0.35 0.00 0.00 0.00 179.25 179.73 2jmx h PHE 105 N 0.40 0.51 0.00 0.00 3.04 -0.93 0.24 116.94 120.20 2jmx h PHE 105 Ca 0.26 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.15 2jmx h PHE 105 Cb 0.49 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 2jmx h PHE 105 CO -0.00 0.22 -0.41 0.77 -2.02 0.00 0.00 178.31 176.87 2jmx h SER 106 N 0.53 0.00 0.27 0.41 0.02 -1.18 0.15 113.55 113.74 2jmx h SER 106 Ca 0.27 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.90 2jmx h SER 106 Cb 0.23 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.80 2jmx h SER 106 CO -0.21 0.41 -1.38 0.74 -1.14 0.00 0.00 176.83 175.25 2jmx h THR 107 N 0.00 1.31 0.00 -2.27 2.02 -0.87 -3.15 112.91 109.95 2jmx h THR 107 Ca -0.00 -2.66 -0.18 0.00 0.77 0.00 0.00 66.41 64.33 2jmx h THR 107 Cb 0.79 2.92 -0.03 0.00 -1.74 0.00 0.00 68.15 70.09 2jmx h THR 107 CO 0.05 0.80 -0.87 -0.03 0.37 0.00 0.00 175.52 175.84 2jmx h MET 108 N 0.18 0.00 -1.01 6.66 -1.53 -0.54 -3.17 114.93 115.52 2jmx h MET 108 Ca -0.22 0.00 0.09 0.00 -3.44 0.00 0.00 59.70 56.13 2jmx h MET 108 Cb 2.06 0.00 -0.07 0.00 -0.55 0.00 0.00 31.60 33.04 2jmx h MET 108 CO 0.26 0.87 0.64 1.98 0.14 0.00 0.00 176.91 180.80 2jmx h MET 109 N 0.00 1.08 -0.39 0.39 -1.53 -0.75 0.93 114.93 114.66 2jmx h MET 109 Ca -0.01 -0.06 0.05 0.00 -3.44 0.00 0.00 59.70 56.24 2jmx h MET 109 Cb 1.59 -0.24 -0.02 0.00 -0.55 0.00 0.00 31.60 32.38 2jmx h MET 109 CO 0.11 0.71 0.26 0.77 0.14 0.00 0.00 176.91 178.91 2jmx h SER 110 N 1.11 0.28 0.64 1.39 0.02 -1.51 0.74 113.55 116.22 2jmx h SER 110 Ca 0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2jmx h SER 110 Cb 0.29 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2jmx h SER 110 CO -0.21 0.19 0.00 0.52 -1.14 0.00 0.00 176.83 176.19 2jmx n VAL 111 N -4.48 0.11 0.07 2.27 0.31 0.30 -3.24 118.33 113.68 2jmx n VAL 111 Ca 0.05 0.03 0.05 0.00 -0.01 0.00 0.00 64.34 64.45 2jmx n VAL 111 Cb 0.22 -0.57 -0.04 0.00 -0.91 0.00 0.00 33.84 32.54 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 0.03 3.52 -0.00 -0.61 -3.32 115.15 114.77 2jmx h HIS 112 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.09 2jmx h HIS 112 Cb 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.69 2jmx h HIS 112 CO 0.00 0.33 -1.57 -0.09 -0.00 0.00 0.00 177.93 176.61 2jmx h ARG 113 N 0.00 0.06 -0.95 5.12 2.43 -1.52 -3.36 114.38 116.16 2jmx h ARG 113 Ca -0.09 -0.10 -0.60 0.00 -0.81 0.00 0.00 59.98 58.38 2jmx h ARG 113 Cb 1.33 0.04 -0.30 0.00 -0.42 0.00 0.00 29.97 30.63 2jmx h ARG 113 CO 0.03 0.74 0.66 0.41 -1.51 0.00 0.00 179.97 180.31 2jmx n GLY 114 N 1.57 5.43 2.58 2.80 0.00 -1.22 -4.44 105.19 111.91 2jmx n GLY 114 Ca -0.15 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.99 1.39 -4.89 1.61 -0.58 -1.25 -5.02 120.64 110.90 2jmx n GLU 115 Ca 0.59 -2.68 -0.29 0.00 -0.42 0.00 0.00 57.16 54.36 2jmx n GLU 115 Cb 1.02 -0.85 -0.15 0.00 -0.57 0.00 0.00 31.44 30.89 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 -2.28 2.03 0.76 2.62 1.01 -1.26 -5.01 120.40 118.26 2jmx s VAL 116 Ca 0.22 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.78 2jmx s VAL 116 Cb 0.35 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 35.04 2jmx s VAL 116 CO -0.07 0.36 1.08 -2.16 0.00 0.00 0.00 175.10 174.30 2jmx s PRO 117 N -1.15 2.40 -0.28 2.72 0.04 -1.26 -5.01 135.00 132.46 2jmx s PRO 117 Ca 0.11 1.00 0.21 0.00 0.04 0.00 0.00 61.00 62.35 2jmx s PRO 117 Cb -0.10 -1.93 0.49 0.00 0.04 0.00 0.00 34.50 33.00 2jmx s PRO 117 CO 0.02 -1.49 1.18 0.00 0.04 0.00 0.00 177.00 176.75 2jmx n THR 119 N -0.73 1.94 -0.93 0.00 -2.24 -1.26 -5.36 114.28 105.71 2jmx n THR 119 Ca 0.03 -3.73 0.00 0.00 -2.27 0.00 0.00 64.05 58.07 2jmx n THR 119 Cb 0.82 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2jmx n THR 119 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02