#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 2.91 -0.47 3.13 0.00 -1.26 -5.01 121.76 121.07 2jmx s ALA 2 Ca 0.00 -3.24 0.04 0.00 0.00 0.00 0.00 51.96 48.76 2jmx s ALA 2 Cb 0.00 -1.99 0.17 0.00 0.00 0.00 0.00 23.12 21.30 2jmx s ALA 2 CO 0.00 -2.06 0.36 0.21 0.00 0.00 0.00 175.76 174.27 2jmx s LYS 3 N -0.66 1.24 0.10 0.00 2.20 -1.26 -5.11 119.74 116.25 2jmx s LYS 3 Ca 0.24 -2.32 0.01 0.00 -0.36 0.00 0.00 55.97 53.55 2jmx s LYS 3 Cb -0.09 -1.89 -0.00 0.00 -1.51 0.00 0.00 37.83 34.34 2jmx s LYS 3 CO -0.12 -1.34 0.04 1.28 -0.36 0.00 0.00 175.35 174.84 2jmx n LEU 4 N 2.78 0.00 -4.04 5.43 4.77 -1.26 -5.10 117.00 119.57 2jmx n LEU 4 Ca 0.25 -0.76 -0.34 0.00 -0.03 0.00 0.00 56.01 55.13 2jmx n LEU 4 Cb 0.44 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.70 2jmx n LEU 4 CO 0.14 -0.12 0.13 -0.69 -1.33 0.00 0.00 177.39 175.52 2jmx s VAL 5 N -1.95 3.70 -0.51 4.08 1.01 -1.26 -4.94 120.40 120.53 2jmx s VAL 5 Ca 0.05 -3.69 0.07 0.00 0.00 0.00 0.00 61.98 58.42 2jmx s VAL 5 Cb 0.00 -3.37 0.29 0.00 0.00 0.00 0.00 36.38 33.30 2jmx s VAL 5 CO 0.04 -0.99 0.72 -1.14 0.00 0.00 0.00 175.10 173.73 2jmx n ARG 6 N 2.60 1.87 -1.40 2.72 0.63 -1.26 -5.10 116.66 116.72 2jmx n ARG 6 Ca 0.16 -4.06 -0.29 0.00 -0.92 0.00 0.00 57.85 52.74 2jmx n ARG 6 Cb 0.36 -1.85 0.13 0.00 0.45 0.00 0.00 32.46 31.55 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 -2.31 1.36 0.98 -0.14 0.04 -1.26 -5.05 135.00 128.62 2jmx s PRO 7 Ca 0.40 0.57 -0.16 0.00 0.04 0.00 0.00 61.00 61.85 2jmx s PRO 7 Cb 0.22 -1.84 0.24 0.00 0.04 0.00 0.00 34.50 33.16 2jmx s PRO 7 CO -0.08 -2.10 0.97 -0.35 0.04 0.00 0.00 177.00 175.48 2jmx n PRO 8 N -3.75 -2.33 -4.51 0.56 -0.04 -1.26 -5.06 135.00 118.60 2jmx n PRO 8 Ca 0.07 -1.54 -0.30 0.00 -0.04 0.00 0.00 63.50 61.69 2jmx n PRO 8 Cb 0.57 -1.31 -0.17 0.00 -0.04 0.00 0.00 33.50 32.55 2jmx n PRO 8 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jmx s VAL 9 N -2.88 1.67 -0.05 0.52 1.01 -1.26 -5.12 120.40 114.30 2jmx s VAL 9 Ca 0.61 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2jmx s VAL 9 Cb -0.05 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.84 2jmx s VAL 9 CO 0.45 0.48 0.11 -1.10 0.00 0.00 0.00 175.10 175.04 2jmx s GLN 10 N 0.95 0.10 -0.02 2.72 -0.21 -1.26 -5.04 119.66 116.89 2jmx s GLN 10 Ca -0.06 0.23 -0.02 0.00 0.02 0.00 0.00 55.36 55.52 2jmx s GLN 10 Cb -0.15 -0.05 0.01 0.00 1.00 0.00 0.00 33.01 33.82 2jmx s GLN 10 CO -0.02 -0.08 0.04 -0.89 -2.12 0.00 0.00 175.29 172.22 2jmx n ILE 11 N 3.54-11.54 -3.19 1.08 -0.00 -1.26 -5.03 119.36 102.97 2jmx n ILE 11 Ca -0.19 2.68 -0.16 0.00 -0.00 0.00 0.00 62.75 65.08 2jmx n ILE 11 Cb 0.56 -5.57 -0.06 0.00 -0.00 0.00 0.00 39.64 34.57 2jmx n ILE 11 CO 0.00 0.00 0.00 -0.72 -0.00 0.00 0.00 176.55 175.83 2jmx s TYR 12 N -0.53 -0.21 0.00 1.39 1.13 -1.26 -5.08 117.35 112.79 2jmx s TYR 12 Ca -0.05 -1.28 0.00 0.00 -1.41 0.00 0.00 57.07 54.33 2jmx s TYR 12 Cb 0.00 -0.36 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 2jmx s TYR 12 CO 0.14 -1.01 0.00 0.41 -2.51 0.00 0.00 175.55 172.57 2jmx n GLY 13 N 3.35 3.36 0.51 5.49 0.00 -1.26 -4.83 105.19 111.80 2jmx n GLY 13 Ca 0.20 -0.84 0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 0.25 -0.87 -0.61 6.09 -2.01 0.37 117.51 120.74 2jmx h ILE 14 Ca 0.00 -0.04 0.18 0.00 -1.37 0.00 0.00 64.86 63.63 2jmx h ILE 14 Cb 0.00 0.12 -0.06 0.00 0.47 0.00 0.00 36.82 37.35 2jmx h ILE 14 CO 0.00 0.02 0.57 -0.33 -3.07 0.00 0.00 178.15 175.34 2jmx h GLU 15 N 0.12 0.43 -0.40 2.19 3.07 -1.94 0.11 114.58 118.16 2jmx h GLU 15 Ca 0.73 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 59.44 2jmx h GLU 15 Cb 2.46 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 30.27 2jmx h GLU 15 CO -0.24 0.28 -0.26 0.78 -1.40 0.00 0.00 179.01 178.18 2jmx h GLY 16 N 0.44 0.97 1.52 -3.84 0.00 -0.47 -2.82 103.07 98.87 2jmx h GLY 16 Ca 0.45 -0.91 0.07 0.00 0.00 0.00 0.00 47.33 46.93 2jmx h GLY 16 CO -0.17 0.83 0.17 3.21 0.00 0.00 0.00 176.54 180.58 2jmx h ARG 17 N 0.71 0.00 -0.94 4.80 3.08 -0.84 -1.54 114.38 119.65 2jmx h ARG 17 Ca 0.08 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.30 2jmx h ARG 17 Cb 0.84 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.81 2jmx h ARG 17 CO 0.07 0.00 0.60 1.88 -1.07 0.00 0.00 179.97 181.45 2jmx h TYR 18 N 0.00 0.86 -0.13 3.04 -1.99 -1.20 1.02 116.97 118.57 2jmx h TYR 18 Ca 0.11 0.03 -0.21 0.00 2.00 0.00 0.00 58.73 60.66 2jmx h TYR 18 Cb 0.46 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.93 2jmx h TYR 18 CO 0.00 0.27 -0.76 0.00 -0.00 0.00 0.00 178.16 177.67 2jmx h ALA 19 N 1.61 0.42 -0.03 3.88 0.00 -1.42 -2.19 119.26 121.53 2jmx h ALA 19 Ca 0.49 -0.60 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 2jmx h ALA 19 Cb 0.84 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jmx h ALA 19 CO -0.25 0.71 -0.91 1.79 0.00 0.00 0.00 179.25 180.59 2jmx h THR 20 N 0.44 1.36 0.00 0.00 1.35 -0.93 0.26 112.91 115.40 2jmx h THR 20 Ca -0.04 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 2jmx h THR 20 Cb 1.37 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 2jmx h THR 20 CO 0.15 0.70 0.00 0.00 -0.25 0.00 0.00 175.52 176.12 2jmx h ALA 21 N 0.69 1.00 0.01 6.62 0.00 0.94 0.60 119.26 129.12 2jmx h ALA 21 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.43 2jmx h ALA 21 Cb 1.54 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 2jmx h ALA 21 CO 0.16 0.00 -2.36 -0.11 0.00 0.00 0.00 179.25 176.95 2jmx n LEU 22 N -2.53 2.49 0.11 0.00 7.94 -0.82 -4.26 117.00 119.93 2jmx n LEU 22 Ca 0.02 0.11 0.13 0.00 -1.11 0.00 0.00 56.01 55.16 2jmx n LEU 22 Cb 0.30 -0.91 0.41 0.00 0.53 0.00 0.00 43.42 43.75 2jmx n LEU 22 CO 0.24 0.75 0.88 0.00 -1.11 0.00 0.00 177.39 178.16 2jmx n TYR 23 N -3.73 0.95 -0.35 1.96 0.18 0.92 -3.47 117.16 113.63 2jmx n TYR 23 Ca -0.46 0.29 0.12 0.00 1.88 0.00 0.00 57.90 59.73 2jmx n TYR 23 Cb 0.94 -0.97 0.31 0.00 -0.38 0.00 0.00 39.34 39.24 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 0.77 -0.00 9.48 0.87 0.05 1.16 113.55 125.88 2jmx h SER 24 Ca 0.00 0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 60.41 2jmx h SER 24 Cb 0.70 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2jmx h SER 24 CO 0.00 0.28 -0.94 0.00 -0.53 0.00 0.00 176.83 175.64 2jmx h ALA 25 N 1.64 0.12 -0.81 6.23 0.00 -1.80 -3.15 119.26 121.47 2jmx h ALA 25 Ca 0.57 -0.67 0.11 0.00 0.00 0.00 0.00 54.91 54.92 2jmx h ALA 25 Cb 0.86 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2jmx h ALA 25 CO -0.38 0.61 0.53 0.00 0.00 0.00 0.00 179.25 180.01 2jmx h ALA 26 N 0.38 1.80 -0.90 0.00 0.00 -0.25 -0.93 119.26 119.36 2jmx h ALA 26 Ca -0.12 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.90 2jmx h ALA 26 Cb 1.61 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 2jmx h ALA 26 CO 0.19 0.02 0.54 1.03 0.00 0.00 0.00 179.25 181.02 2jmx h SER 27 N 0.70 0.77 -0.25 0.00 0.87 0.12 0.91 113.55 116.67 2jmx h SER 27 Ca 0.38 0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.83 2jmx h SER 27 Cb 0.53 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2jmx h SER 27 CO -0.15 0.42 -0.47 0.50 -0.53 0.00 0.00 176.83 176.59 2jmx h LYS 28 N 0.86 0.82 -0.00 2.24 3.64 -1.28 -2.83 116.57 120.02 2jmx h LYS 28 Ca 0.45 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jmx h LYS 28 Cb 0.44 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2jmx h LYS 28 CO -0.26 1.11 -0.03 1.04 -2.27 0.00 0.00 179.45 179.03 2jmx n GLN 29 N -4.02 0.81 -3.13 1.90 6.02 -0.27 -4.92 117.38 113.77 2jmx n GLN 29 Ca -0.03 -0.14 -0.14 0.00 -0.01 0.00 0.00 57.00 56.68 2jmx n GLN 29 Cb 0.58 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.39 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 -0.97 -4.41 -1.15 1.08 2.85 0.30 -4.94 115.26 108.02 2jmx n ASN 30 Ca 0.18 -0.33 0.08 0.00 -0.11 0.00 0.00 54.58 54.41 2jmx n ASN 30 Cb 0.21 -3.23 0.28 0.00 1.24 0.00 0.00 39.78 38.28 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 -3.18 3.24 -0.34 1.20 4.01 -0.18 -4.61 118.16 118.29 2jmx n LYS 31 Ca -0.01 -2.61 0.21 0.00 -0.51 0.00 0.00 58.31 55.39 2jmx n LYS 31 Cb 0.54 -1.67 0.46 0.00 -0.51 0.00 0.00 35.03 33.86 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 3.06 0.54 0.02 -0.35 -0.00 -1.92 0.66 115.31 117.32 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 1.19 0.04 0.02 0.00 -0.00 0.00 0.00 40.66 41.91 2jmx h LEU 32 CO 0.14 0.06 -0.82 -0.08 -0.00 0.00 0.00 178.44 177.74 2jmx h GLU 33 N 0.46 0.52 -0.12 1.13 4.81 -1.97 0.85 114.58 120.26 2jmx h GLU 33 Ca 0.64 -0.59 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2jmx h GLU 33 Cb 1.45 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 2jmx h GLU 33 CO -0.41 1.21 0.10 1.96 -0.73 0.00 0.00 179.01 181.15 2jmx h GLN 34 N 0.08 0.00 0.00 1.92 4.20 -0.45 -2.08 115.11 118.78 2jmx h GLN 34 Ca -0.11 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.30 2jmx h GLN 34 Cb 1.51 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.24 2jmx h GLN 34 CO 0.16 0.00 -2.10 0.28 -0.67 0.00 0.00 178.83 176.50 2jmx n VAL 35 N -4.22 1.09 0.19 -0.54 0.31 0.18 -3.93 118.33 111.42 2jmx n VAL 35 Ca -0.00 -0.38 0.04 0.00 -0.01 0.00 0.00 64.34 63.99 2jmx n VAL 35 Cb 0.22 -1.34 0.43 0.00 -0.91 0.00 0.00 33.84 32.24 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 -0.20 0.04 0.09 5.55 4.22 0.72 -0.76 114.58 124.25 2jmx h GLU 36 Ca -0.45 -0.01 -0.34 0.00 0.08 0.00 0.00 59.36 58.64 2jmx h GLU 36 Cb 1.60 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.82 2jmx h GLU 36 CO -0.13 0.28 -1.85 -0.22 -2.18 0.00 0.00 179.01 174.91 2jmx h LYS 37 N 0.04 0.19 -0.07 1.92 3.64 -1.53 -3.32 116.57 117.44 2jmx h LYS 37 Ca 0.01 -0.32 -0.21 0.00 -1.27 0.00 0.00 60.65 58.86 2jmx h LYS 37 Cb 0.45 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2jmx h LYS 37 CO 0.03 0.98 -0.81 0.93 -2.27 0.00 0.00 179.45 178.32 2jmx h GLU 38 N 0.05 0.51 -0.68 1.90 3.07 -1.67 -3.09 114.58 114.66 2jmx h GLU 38 Ca -0.36 -0.45 0.07 0.00 -0.50 0.00 0.00 59.36 58.13 2jmx h GLU 38 Cb 2.03 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 30.00 2jmx h GLU 38 CO 0.10 1.08 0.45 -0.07 -1.40 0.00 0.00 179.01 179.17 2jmx h LEU 39 N 0.33 0.58 -1.64 1.33 3.38 -1.29 -1.05 115.31 116.95 2jmx h LEU 39 Ca -0.05 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.04 2jmx h LEU 39 Cb 1.41 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 2jmx h LEU 39 CO 0.15 0.37 0.43 -0.07 0.09 0.00 0.00 178.44 179.41 2jmx h LEU 40 N 0.66 0.35 -0.64 1.67 3.38 -1.63 -1.63 115.31 117.47 2jmx h LEU 40 Ca 0.30 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.29 2jmx h LEU 40 Cb 0.33 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2jmx h LEU 40 CO -0.10 0.20 0.42 0.03 0.09 0.00 0.00 178.44 179.08 2jmx h ARG 41 N 0.39 0.84 -0.76 1.13 3.08 -1.31 -0.41 114.38 117.33 2jmx h ARG 41 Ca 0.30 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 2jmx h ARG 41 Cb 0.66 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2jmx h ARG 41 CO -0.08 0.56 0.30 0.28 -1.07 0.00 0.00 179.97 179.96 2jmx h VAL 42 N 0.86 1.25 -0.29 2.04 2.07 -1.39 0.60 116.25 121.40 2jmx h VAL 42 Ca 0.23 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2jmx h VAL 42 Cb -0.09 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2jmx h VAL 42 CO -0.05 0.33 0.05 1.23 0.02 0.00 0.00 177.57 179.15 2jmx h GLY 43 N 1.14 0.50 1.05 2.17 0.00 -1.23 -1.72 103.07 104.98 2jmx h GLY 43 Ca 0.26 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 2jmx h GLY 43 CO -0.02 0.31 0.18 1.46 0.00 0.00 0.00 176.54 178.46 2jmx h GLN 44 N 0.29 1.08 -0.93 4.80 1.08 -0.79 0.21 115.11 120.85 2jmx h GLN 44 Ca 0.09 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2jmx h GLN 44 Cb 0.32 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.56 2jmx h GLN 44 CO 0.00 0.95 0.59 0.82 -0.95 0.00 0.00 178.83 180.25 2jmx h ILE 45 N 1.01 1.24 0.04 2.54 2.04 -0.70 0.83 117.51 124.51 2jmx h ILE 45 Ca 0.21 -0.48 -0.24 0.00 1.00 0.00 0.00 64.86 65.36 2jmx h ILE 45 Cb 0.35 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2jmx h ILE 45 CO 0.00 0.24 -1.03 0.25 0.00 0.00 0.00 178.15 177.61 2jmx h LEU 46 N 1.26 0.50 -0.47 1.44 7.12 -0.99 -3.23 115.31 120.94 2jmx h LEU 46 Ca 0.34 -0.44 -0.11 0.00 0.13 0.00 0.00 57.88 57.80 2jmx h LEU 46 Cb -0.11 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 39.85 2jmx h LEU 46 CO -0.07 1.26 -0.53 0.50 -0.13 0.00 0.00 178.44 179.47 2jmx h LYS 47 N 0.18 0.00 -6.55 1.25 3.11 -0.13 -3.37 116.57 111.05 2jmx h LYS 47 Ca -0.10 0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 57.15 2jmx h LYS 47 Cb 1.69 0.00 0.08 0.00 -1.00 0.00 0.00 32.23 33.00 2jmx h LYS 47 CO 0.18 0.53 0.63 0.39 -2.81 0.00 0.00 179.45 178.36 2jmx n GLU 48 N -3.42 1.99 0.08 1.90 1.02 0.28 -4.79 120.64 117.70 2jmx n GLU 48 Ca 0.00 0.71 -0.04 0.00 -0.02 0.00 0.00 57.16 57.81 2jmx n GLU 48 Cb 0.66 -2.38 0.15 0.00 -0.02 0.00 0.00 31.44 29.85 2jmx n GLU 48 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jmx h PRO 49 N 4.49 0.26 0.04 3.49 0.13 -1.89 0.91 132.00 139.42 2jmx h PRO 49 Ca -0.45 -0.16 -0.22 0.00 -0.87 0.00 0.00 66.00 64.30 2jmx h PRO 49 Cb 1.28 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2jmx h PRO 49 CO 0.78 0.73 -1.00 -0.22 -0.23 0.00 0.00 178.00 178.06 2jmx h LYS 50 N 0.20 0.21 0.01 0.86 3.64 -1.95 -3.29 116.57 116.25 2jmx h LYS 50 Ca 0.00 -0.27 -0.29 0.00 -1.27 0.00 0.00 60.65 58.82 2jmx h LYS 50 Cb 1.01 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 2jmx h LYS 50 CO 0.08 1.05 -1.67 1.98 -2.27 0.00 0.00 179.45 178.63 2jmx h MET 51 N 0.09 0.02 -0.99 1.90 4.05 -1.79 -3.37 114.93 114.84 2jmx h MET 51 Ca -0.07 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.40 2jmx h MET 51 Cb 1.68 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 32.43 2jmx h MET 51 CO 0.16 0.57 0.64 0.00 0.23 0.00 0.00 176.91 178.50 2jmx h ALA 52 N 0.95 1.44 -0.61 0.39 0.00 0.76 -0.86 119.26 121.34 2jmx h ALA 52 Ca -0.27 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.71 2jmx h ALA 52 Cb 2.00 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 2jmx h ALA 52 CO 0.08 0.41 0.40 0.00 0.00 0.00 0.00 179.25 180.14 2jmx h ALA 53 N 1.47 1.95 0.16 0.00 0.00 -1.71 -0.74 119.26 120.39 2jmx h ALA 53 Ca 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2jmx h ALA 53 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jmx h ALA 53 CO -0.18 -0.07 -0.08 0.77 0.00 0.00 0.00 179.25 179.70 2jmx h SER 54 N 0.47 -0.18 -0.13 0.00 0.02 -1.36 0.20 113.55 112.56 2jmx h SER 54 Ca 0.27 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2jmx h SER 54 Cb 0.46 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2jmx h SER 54 CO -0.08 0.39 0.12 -0.07 -1.14 0.00 0.00 176.83 176.05 2jmx h LEU 55 N -0.95 0.00 0.00 5.07 4.07 -1.30 -2.49 115.31 119.70 2jmx h LEU 55 Ca -0.02 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.65 2jmx h LEU 55 Cb 0.46 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.15 2jmx h LEU 55 CO 0.04 0.00 -1.94 -0.11 -1.08 0.00 0.00 178.44 175.35 2jmx n LEU 56 N -4.05 0.49 -4.53 1.67 0.00 -0.30 -4.97 117.00 105.32 2jmx n LEU 56 Ca 0.00 0.23 -0.38 0.00 0.00 0.00 0.00 56.01 55.86 2jmx n LEU 56 Cb 0.24 0.27 0.04 0.00 0.00 0.00 0.00 43.42 43.98 2jmx n LEU 56 CO 0.30 0.37 0.27 0.59 0.00 0.00 0.00 177.39 178.92 2jmx n ASN 57 N -2.87 -0.23 -0.01 1.96 4.13 0.69 -4.87 115.26 114.06 2jmx n ASN 57 Ca -0.21 0.79 0.16 0.00 1.68 0.00 0.00 54.58 56.99 2jmx n ASN 57 Cb 1.04 -1.26 0.91 0.00 -1.54 0.00 0.00 39.78 38.93 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 -0.36 0.93 0.00 3.52 -0.04 -1.26 -3.67 135.00 134.11 2jmx n PRO 58 Ca 0.12 -0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 2jmx n PRO 58 Cb 0.47 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.06 0.24 -0.35 0.54 0.05 -1.90 -3.34 116.97 112.28 2jmx h TYR 59 Ca 0.00 -0.18 0.10 0.00 0.05 0.00 0.00 58.73 58.70 2jmx h TYR 59 Cb 0.06 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2jmx h TYR 59 CO 0.00 1.36 0.32 0.28 -1.05 0.00 0.00 178.16 179.06 2jmx h VAL 60 N 0.04 0.55 -2.01 -2.88 2.07 -1.81 -3.48 116.25 108.74 2jmx h VAL 60 Ca -0.33 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.27 2jmx h VAL 60 Cb 2.02 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 2jmx h VAL 60 CO 0.09 0.00 -0.11 1.17 0.02 0.00 0.00 177.57 178.75 2jmx n LYS 61 N -4.00 -0.60 -0.08 1.57 4.81 -1.26 -2.91 118.16 115.69 2jmx n LYS 61 Ca 0.06 0.40 -0.14 0.00 -0.87 0.00 0.00 58.31 57.76 2jmx n LYS 61 Cb 0.48 -0.73 -0.05 0.00 0.02 0.00 0.00 35.03 34.75 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 -2.23 0.41 -0.32 1.64 3.00 -1.26 -3.82 116.66 114.07 2jmx n ARG 62 Ca 0.00 0.17 0.02 0.00 -0.00 0.00 0.00 57.85 58.04 2jmx n ARG 62 Cb 0.14 -1.20 0.16 0.00 0.00 0.00 0.00 32.46 31.55 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 -0.73 0.86 -0.49 6.15 0.87 -1.95 -0.92 113.55 117.34 2jmx h SER 63 Ca -0.24 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.24 2jmx h SER 63 Cb 1.06 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 2jmx h SER 63 CO -0.14 0.54 -0.10 0.58 -0.53 0.00 0.00 176.83 177.17 2jmx h VAL 64 N 0.99 1.27 -0.58 2.23 2.07 -1.81 -2.81 116.25 117.60 2jmx h VAL 64 Ca 0.40 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2jmx h VAL 64 Cb 0.21 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2jmx h VAL 64 CO -0.19 0.43 0.39 0.50 0.02 0.00 0.00 177.57 178.72 2jmx h LYS 65 N 0.79 0.77 -1.00 1.57 3.64 -1.15 -2.03 116.57 119.16 2jmx h LYS 65 Ca 0.13 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2jmx h LYS 65 Cb 0.66 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 2jmx h LYS 65 CO 0.05 0.51 0.66 0.28 -2.27 0.00 0.00 179.45 178.67 2jmx h VAL 66 N 0.79 1.19 -0.45 2.00 2.07 -0.94 0.77 116.25 121.68 2jmx h VAL 66 Ca 0.21 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 2jmx h VAL 66 Cb -0.09 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.46 2jmx h VAL 66 CO -0.05 0.23 -0.14 0.50 0.02 0.00 0.00 177.57 178.14 2jmx h LYS 67 N 1.29 0.89 -0.61 1.57 3.64 -1.37 -2.16 116.57 119.83 2jmx h LYS 67 Ca 0.39 -0.36 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2jmx h LYS 67 Cb -0.04 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2jmx h LYS 67 CO -0.11 1.01 0.05 0.77 -2.27 0.00 0.00 179.45 178.89 2jmx h SER 68 N 0.73 0.98 -0.72 4.20 0.02 -1.07 -1.70 113.55 115.99 2jmx h SER 68 Ca 0.11 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 2jmx h SER 68 Cb 0.70 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2jmx h SER 68 CO 0.05 1.01 0.24 -0.07 -1.14 0.00 0.00 176.83 176.92 2jmx h LEU 69 N 0.95 1.03 -0.45 5.07 3.38 -0.71 -1.37 115.31 123.20 2jmx h LEU 69 Ca 0.18 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2jmx h LEU 69 Cb 0.48 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2jmx h LEU 69 CO 0.02 0.96 -0.09 -1.28 0.09 0.00 0.00 178.44 178.13 2jmx h SER 70 N 1.05 0.87 0.78 -0.43 0.87 -1.16 -0.71 113.55 114.83 2jmx h SER 70 Ca 0.23 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2jmx h SER 70 Cb 0.28 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2jmx h SER 70 CO -0.01 1.02 0.00 -0.78 -0.53 0.00 0.00 176.83 176.53 2jmx h ASP 71 N 0.70 0.00 0.07 6.23 1.82 -1.07 -0.58 116.42 123.59 2jmx h ASP 71 Ca 0.12 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.46 2jmx h ASP 71 Cb 0.63 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 2jmx h ASP 71 CO 0.04 0.00 -1.60 -0.03 -1.61 0.00 0.00 179.24 176.04 2jmx h MET 72 N 0.00 0.15 -0.52 0.28 4.05 -0.81 -3.15 114.93 114.93 2jmx h MET 72 Ca 0.00 -0.26 -0.03 0.00 -0.28 0.00 0.00 59.70 59.13 2jmx h MET 72 Cb 0.39 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 2jmx h MET 72 CO 0.00 1.12 0.18 1.15 0.23 0.00 0.00 176.91 179.60 2jmx h THR 73 N -0.44 1.20 -0.52 -0.77 2.02 -1.04 0.89 112.91 114.25 2jmx h THR 73 Ca -0.38 -0.65 -0.10 0.00 0.77 0.00 0.00 66.41 66.05 2jmx h THR 73 Cb 1.68 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 2jmx h THR 73 CO -0.04 0.25 -0.07 0.00 0.37 0.00 0.00 175.52 176.03 2jmx h ALA 74 N 1.46 0.90 0.00 6.16 0.00 -1.23 -2.89 119.26 123.65 2jmx h ALA 74 Ca 0.18 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 2jmx h ALA 74 Cb 0.19 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2jmx h ALA 74 CO -0.01 0.64 -1.41 -0.22 0.00 0.00 0.00 179.25 178.25 2jmx h LYS 75 N 0.85 0.00 0.00 0.00 1.63 -1.40 -3.32 116.57 114.33 2jmx h LYS 75 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2jmx h LYS 75 Cb 0.60 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2jmx h LYS 75 CO 0.04 0.62 0.00 -1.91 -3.45 0.00 0.00 179.45 174.74 2jmx n GLU 76 N -3.12 0.00 -3.56 1.90 2.13 0.31 -4.90 120.64 113.38 2jmx n GLU 76 Ca -0.10 0.20 -0.20 0.00 0.66 0.00 0.00 57.16 57.72 2jmx n GLU 76 Cb 0.98 -1.50 0.07 0.00 0.27 0.00 0.00 31.44 31.26 2jmx n GLU 76 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2jmx n LYS 77 N -1.50 -6.19 -0.08 5.31 5.02 -1.10 -4.97 118.16 114.66 2jmx n LYS 77 Ca 0.04 0.76 -0.05 0.00 -2.02 0.00 0.00 58.31 57.04 2jmx n LYS 77 Cb 0.20 -5.63 0.05 0.00 -0.02 0.00 0.00 35.03 29.63 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jmx n PHE 78 N -4.31 -1.93 -3.07 2.13 3.72 -1.23 -5.02 117.46 107.73 2jmx n PHE 78 Ca -0.24 -0.11 -0.20 0.00 -0.05 0.00 0.00 57.45 56.85 2jmx n PHE 78 Cb 0.65 -0.29 0.07 0.00 -0.94 0.00 0.00 39.48 38.97 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 -2.68 2.18 0.03 4.37 7.64 -1.26 -4.98 113.62 118.93 2jmx n SER 79 Ca 0.02 -2.59 0.08 0.00 1.01 0.00 0.00 58.87 57.39 2jmx n SER 79 Cb 0.11 -0.42 0.34 0.00 -1.01 0.00 0.00 64.21 63.22 2jmx n SER 79 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2jmx n PRO 80 N -2.28 0.05 -0.37 1.43 -0.04 -1.26 -2.73 135.00 129.80 2jmx n PRO 80 Ca 0.16 0.31 0.08 0.00 -0.04 0.00 0.00 63.50 64.01 2jmx n PRO 80 Cb 0.61 -1.59 0.18 0.00 -0.04 0.00 0.00 33.50 32.66 2jmx n PRO 80 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jmx n LEU 81 N -1.68 2.59 -0.16 1.53 4.77 -1.26 -4.67 117.00 118.12 2jmx n LEU 81 Ca 0.03 -3.54 0.04 0.00 -0.03 0.00 0.00 56.01 52.51 2jmx n LEU 81 Cb 0.17 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.83 2jmx n LEU 81 CO 0.14 1.09 0.44 0.41 -1.33 0.00 0.00 177.39 178.14 2jmx n THR 82 N -1.25 1.01 -2.38 -5.08 -1.04 -1.11 -4.68 114.28 99.76 2jmx n THR 82 Ca 0.18 -1.18 -0.25 0.00 -2.04 0.00 0.00 64.05 60.75 2jmx n THR 82 Cb 0.68 0.23 0.01 0.00 -1.82 0.00 0.00 70.33 69.42 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 -0.72 4.64 0.19 8.00 7.64 -1.26 -4.33 113.62 127.76 2jmx n SER 83 Ca 0.07 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.27 2jmx n SER 83 Cb 0.57 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2jmx n SER 83 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jmx n ASN 84 N -0.52 -2.90 0.17 6.43 2.85 -1.26 -4.85 115.26 115.18 2jmx n ASN 84 Ca 0.39 0.71 0.16 0.00 -0.11 0.00 0.00 54.58 55.73 2jmx n ASN 84 Cb 0.74 2.79 0.77 0.00 1.24 0.00 0.00 39.78 45.32 2jmx n ASN 84 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2jmx h LEU 85 N 0.00 0.00 -0.65 1.20 5.85 -1.83 -0.08 115.31 119.80 2jmx h LEU 85 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2jmx h LEU 85 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2jmx h LEU 85 CO 0.00 0.00 0.29 0.40 -0.34 0.00 0.00 178.44 178.79 2jmx h ILE 86 N 0.00 1.23 0.16 4.05 5.03 -1.89 -1.99 117.51 124.10 2jmx h ILE 86 Ca 0.10 -0.68 -0.01 0.00 -0.12 0.00 0.00 64.86 64.15 2jmx h ILE 86 Cb 0.50 0.47 0.00 0.00 -3.03 0.00 0.00 36.82 34.76 2jmx h ILE 86 CO -0.00 0.28 -0.08 0.78 -0.68 0.00 0.00 178.15 178.45 2jmx h ASN 87 N 0.91 -0.18 -0.99 1.72 4.21 -1.35 -2.27 115.58 117.64 2jmx h ASN 87 Ca 0.22 -0.01 0.17 0.00 1.21 0.00 0.00 56.30 57.89 2jmx h ASN 87 Cb 0.16 0.05 -0.10 0.00 -1.12 0.00 0.00 38.32 37.31 2jmx h ASN 87 CO -0.02 -0.11 0.59 -0.07 -1.29 0.00 0.00 177.43 176.53 2jmx h LEU 88 N -0.23 0.79 -0.80 1.61 3.38 -1.33 0.81 115.31 119.54 2jmx h LEU 88 Ca -0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jmx h LEU 88 Cb 0.18 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2jmx h LEU 88 CO 0.04 0.32 0.47 -0.07 0.09 0.00 0.00 178.44 179.29 2jmx h LEU 89 N 0.80 0.96 -3.73 1.67 3.38 -0.87 -2.31 115.31 115.22 2jmx h LEU 89 Ca 0.55 -0.07 -0.38 0.00 0.09 0.00 0.00 57.88 58.07 2jmx h LEU 89 Cb 0.77 -0.24 -0.22 0.00 0.09 0.00 0.00 40.66 41.05 2jmx h LEU 89 CO -0.35 0.75 0.35 0.00 0.09 0.00 0.00 178.44 179.27 2jmx n ALA 90 N -2.35 5.07 -0.13 1.53 0.00 0.24 0.26 120.51 125.13 2jmx n ALA 90 Ca 0.08 -3.00 -0.25 0.00 0.00 0.00 0.00 53.44 50.27 2jmx n ALA 90 Cb 0.06 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.12 0.61 -1.14 0.00 2.13 0.26 -4.66 120.64 116.72 2jmx n GLU 91 Ca 0.49 0.25 -0.01 0.00 0.66 0.00 0.00 57.16 58.55 2jmx n GLU 91 Cb 1.41 -1.53 0.14 0.00 0.27 0.00 0.00 31.44 31.73 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 -3.93 2.33 -1.15 4.31 3.02 -1.25 -4.95 115.26 113.64 2jmx n ASN 92 Ca -0.50 -3.54 -0.01 0.00 -0.03 0.00 0.00 54.58 50.51 2jmx n ASN 92 Cb 0.91 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.79 0.40 1.55 7.41 0.00 -1.26 -4.98 105.19 107.51 2jmx n GLY 93 Ca 0.22 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.19 2.24 -1.00 1.61 1.74 0.14 -4.54 116.66 115.66 2jmx n ARG 94 Ca -0.02 -3.10 -0.13 0.00 -0.77 0.00 0.00 57.85 53.84 2jmx n ARG 94 Cb 0.51 -1.97 0.19 0.00 -1.02 0.00 0.00 32.46 30.17 2jmx n ARG 94 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jmx n LEU 95 N -0.98 5.26 -0.08 0.55 4.77 -1.01 -4.07 117.00 121.43 2jmx n LEU 95 Ca 0.41 -3.72 -0.16 0.00 -0.03 0.00 0.00 56.01 52.50 2jmx n LEU 95 Cb 1.25 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2jmx n LEU 95 CO 0.34 1.18 -0.98 0.35 -1.33 0.00 0.00 177.39 176.96 2jmx n THR 96 N -1.14 1.07 -1.37 -5.08 -2.24 -1.26 -4.56 114.28 99.70 2jmx n THR 96 Ca 0.45 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.79 2jmx n THR 96 Cb 1.31 -1.82 0.11 0.00 -2.10 0.00 0.00 70.33 67.84 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 -3.87 6.02 0.08 3.42 3.02 -1.26 -4.67 115.26 118.00 2jmx n ASN 97 Ca -0.30 -3.74 -0.02 0.00 -0.03 0.00 0.00 54.58 50.50 2jmx n ASN 97 Cb 0.66 -0.86 0.24 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.10 1.28 -0.47 3.41 1.03 -1.80 -3.05 112.91 114.42 2jmx h THR 98 Ca 0.57 -1.36 -0.03 0.00 -0.01 0.00 0.00 66.41 65.58 2jmx h THR 98 Cb 1.50 1.55 -0.02 0.00 -1.07 0.00 0.00 68.15 70.10 2jmx h THR 98 CO 1.31 0.41 0.15 1.55 -0.01 0.00 0.00 175.52 178.93 2jmx h PRO 99 N 0.25 0.68 -0.68 0.00 0.13 -1.89 -1.90 132.00 128.59 2jmx h PRO 99 Ca 0.03 -0.11 0.03 0.00 -0.87 0.00 0.00 66.00 65.09 2jmx h PRO 99 Cb 0.72 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.69 2jmx h PRO 99 CO 0.05 0.59 0.45 0.00 -0.23 0.00 0.00 178.00 178.87 2jmx h ALA 100 N 1.50 1.62 -0.90 -0.56 0.00 -1.91 -1.30 119.26 117.72 2jmx h ALA 100 Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jmx h ALA 100 Cb 0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2jmx h ALA 100 CO -0.01 0.31 0.58 0.28 0.00 0.00 0.00 179.25 180.41 2jmx h VAL 101 N 0.81 1.23 -0.16 0.00 2.07 -1.42 -2.11 116.25 116.67 2jmx h VAL 101 Ca 0.27 -0.45 -0.20 0.00 0.82 0.00 0.00 66.70 67.15 2jmx h VAL 101 Cb 0.07 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2jmx h VAL 101 CO -0.08 0.23 -0.69 0.40 0.02 0.00 0.00 177.57 177.45 2jmx h ILE 102 N 1.22 1.31 -0.08 4.57 2.04 -1.24 -3.07 117.51 122.26 2jmx h ILE 102 Ca 0.33 -1.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 2jmx h ILE 102 Cb -0.12 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2jmx h ILE 102 CO -0.07 0.61 0.05 0.77 0.00 0.00 0.00 178.15 179.51 2jmx h SER 103 N 0.47 0.10 -0.66 1.72 4.64 -0.92 -2.06 113.55 116.84 2jmx h SER 103 Ca -0.03 -0.04 0.10 0.00 -0.47 0.00 0.00 61.79 61.35 2jmx h SER 103 Cb 1.29 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 2jmx h SER 103 CO 0.14 0.11 0.44 0.00 -0.87 0.00 0.00 176.83 176.65 2jmx h ALA 104 N 0.99 1.97 -0.37 5.18 0.00 -1.44 -1.61 119.26 123.98 2jmx h ALA 104 Ca 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jmx h ALA 104 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2jmx h ALA 104 CO -0.01 -0.12 0.19 0.35 0.00 0.00 0.00 179.25 179.67 2jmx h PHE 105 N 0.48 0.36 -0.59 0.00 3.04 -1.27 0.49 116.94 119.45 2jmx h PHE 105 Ca 0.31 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.21 2jmx h PHE 105 Cb 0.55 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.93 2jmx h PHE 105 CO -0.00 0.20 0.13 0.77 -2.02 0.00 0.00 178.31 177.39 2jmx h SER 106 N 0.40 0.88 0.17 0.41 0.02 -1.13 0.45 113.55 114.75 2jmx h SER 106 Ca 0.15 -0.18 -0.23 0.00 -0.84 0.00 0.00 61.79 60.70 2jmx h SER 106 Cb 0.04 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.36 2jmx h SER 106 CO -0.09 0.87 -0.91 0.74 -1.14 0.00 0.00 176.83 176.29 2jmx h THR 107 N 0.89 1.35 -0.01 -2.27 2.02 -1.05 -3.10 112.91 110.74 2jmx h THR 107 Ca 0.19 -2.28 -0.17 0.00 0.77 0.00 0.00 66.41 64.92 2jmx h THR 107 Cb 0.34 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 2jmx h THR 107 CO 0.00 0.69 -0.78 0.24 0.37 0.00 0.00 175.52 176.04 2jmx h MET 108 N 0.32 0.14 -1.01 6.66 2.07 0.16 -3.11 114.93 120.17 2jmx h MET 108 Ca -0.08 -0.13 0.07 0.00 -2.07 0.00 0.00 59.70 57.49 2jmx h MET 108 Cb 1.54 0.03 -0.07 0.00 -1.87 0.00 0.00 31.60 31.23 2jmx h MET 108 CO 0.17 0.85 0.65 1.98 1.07 0.00 0.00 176.91 181.63 2jmx h MET 109 N 0.08 1.14 -0.70 1.72 -1.53 -0.07 0.05 114.93 115.62 2jmx h MET 109 Ca -0.02 -0.07 0.11 0.00 -3.44 0.00 0.00 59.70 56.27 2jmx h MET 109 Cb 1.37 -0.26 -0.05 0.00 -0.55 0.00 0.00 31.60 32.12 2jmx h MET 109 CO 0.11 0.75 0.46 1.03 0.14 0.00 0.00 176.91 179.41 2jmx h SER 110 N 1.17 0.47 1.15 1.39 0.87 -1.46 0.12 113.55 117.26 2jmx h SER 110 Ca 0.44 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2jmx h SER 110 Cb 0.18 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2jmx h SER 110 CO -0.18 0.28 0.00 0.58 -0.53 0.00 0.00 176.83 176.98 2jmx h VAL 111 N 0.52 0.00 0.00 2.23 2.07 -1.08 -2.51 116.25 117.48 2jmx h VAL 111 Ca 0.33 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2jmx h VAL 111 Cb 0.57 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2jmx h VAL 111 CO -0.11 0.00 -0.60 1.12 0.02 0.00 0.00 177.57 178.00 2jmx h HIS 112 N 0.00 0.00 0.03 1.57 -0.00 -0.58 -3.05 115.15 113.12 2jmx h HIS 112 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 60.02 2jmx h HIS 112 Cb 0.57 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.93 2jmx h HIS 112 CO 0.00 0.20 -2.16 -2.13 -0.00 0.00 0.00 177.93 173.85 2jmx n ARG 113 N -2.98 0.68 0.07 5.12 0.63 -1.13 -4.30 116.66 114.75 2jmx n ARG 113 Ca 0.00 0.17 -0.14 0.00 -0.92 0.00 0.00 57.85 56.96 2jmx n ARG 113 Cb 0.63 -1.63 -0.05 0.00 0.45 0.00 0.00 32.46 31.86 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 2.73 0.46 -6.22 5.14 0.00 -1.60 -3.34 103.07 100.25 2jmx h GLY 114 Ca -0.46 -0.82 -0.78 0.00 0.00 0.00 0.00 47.33 45.26 2jmx h GLY 114 CO 0.03 0.73 0.82 1.18 0.00 0.00 0.00 176.54 179.29 2jmx n GLU 115 N -3.74 5.09 -3.01 4.80 -0.58 -1.15 -4.77 120.64 117.29 2jmx n GLU 115 Ca -0.07 -4.68 -0.17 0.00 -0.42 0.00 0.00 57.16 51.82 2jmx n GLU 115 Cb 0.84 -2.45 -0.02 0.00 -0.57 0.00 0.00 31.44 29.24 2jmx n GLU 115 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2jmx n VAL 116 N 0.07 -0.43 -2.21 2.62 3.14 -1.25 -4.89 118.33 115.38 2jmx n VAL 116 Ca 0.43 -2.81 -0.43 0.00 -2.96 0.00 0.00 64.34 58.57 2jmx n VAL 116 Cb 0.28 -0.42 -0.02 0.00 -1.06 0.00 0.00 33.84 32.62 2jmx n VAL 116 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2jmx s PRO 117 N -0.23 3.83 -0.35 1.45 0.04 -1.26 -4.89 135.00 133.58 2jmx s PRO 117 Ca 0.33 1.51 0.15 0.00 0.04 0.00 0.00 61.00 63.04 2jmx s PRO 117 Cb 0.17 -3.99 0.42 0.00 0.04 0.00 0.00 34.50 31.15 2jmx s PRO 117 CO -0.17 -1.25 0.97 0.00 0.04 0.00 0.00 177.00 176.60 2jmx s THR 119 N -2.35 1.99 0.00 0.00 2.01 -1.26 -5.35 115.64 110.67 2jmx s THR 119 Ca 0.29 -3.10 0.00 0.00 0.31 0.00 0.00 61.69 59.19 2jmx s THR 119 Cb 0.42 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.56 2jmx s THR 119 CO -0.01 -0.90 0.00 0.55 -0.69 0.00 0.00 174.62 173.58