#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm5 n MET 2 N 0.00 -0.11 -2.57 1.43 2.00 -1.26 -4.73 117.12 111.88 2jm5 n MET 2 Ca 0.00 0.07 -0.41 0.00 0.00 0.00 0.00 57.70 57.36 2jm5 n MET 2 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 33.22 33.05 2jm5 n MET 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2jm5 s VAL 3 N -0.10 4.21 0.38 2.03 0.11 -1.26 -5.03 120.40 120.74 2jm5 s VAL 3 Ca 0.00 1.74 -0.25 0.00 -2.93 0.00 0.00 61.98 60.54 2jm5 s VAL 3 Cb 0.00 -4.12 -0.09 0.00 -1.53 0.00 0.00 36.38 30.65 2jm5 s VAL 3 CO 0.00 0.23 1.09 -0.44 -3.33 0.00 0.00 175.10 172.64 2jm5 s SER 4 N 0.39 6.77 0.51 3.54 0.01 -1.26 -4.85 113.70 118.80 2jm5 s SER 4 Ca 0.52 2.15 0.35 0.00 1.31 0.00 0.00 55.95 60.28 2jm5 s SER 4 Cb -0.27 -2.60 1.49 0.00 0.21 0.00 0.00 66.02 64.86 2jm5 s SER 4 CO 0.31 -0.49 1.74 -0.65 0.41 0.00 0.00 173.24 174.57 2jm5 h PRO 5 N 2.74 0.08 -0.17 12.44 0.11 -1.85 -0.47 132.00 144.86 2jm5 h PRO 5 Ca -0.48 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2jm5 h PRO 5 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2jm5 h PRO 5 CO 0.63 0.05 -0.05 1.49 -0.21 0.00 0.00 178.00 179.91 2jm5 h GLU 6 N 0.08 0.34 -0.07 1.05 4.57 -1.91 0.19 114.58 118.83 2jm5 h GLU 6 Ca 0.66 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.57 2jm5 h GLU 6 Cb 2.43 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.99 2jm5 h GLU 6 CO -0.11 0.62 -0.59 1.49 -1.18 0.00 0.00 179.01 179.24 2jm5 h GLU 7 N 0.05 0.23 -0.63 1.92 4.57 -1.53 -2.64 114.58 116.56 2jm5 h GLU 7 Ca 0.04 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 2jm5 h GLU 7 Cb 0.50 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 2jm5 h GLU 7 CO 0.02 0.76 0.15 0.00 -1.18 0.00 0.00 179.01 178.76 2jm5 h ALA 8 N 1.21 0.83 0.00 2.92 0.00 -0.95 -2.06 119.26 121.21 2jm5 h ALA 8 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2jm5 h ALA 8 Cb 1.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2jm5 h ALA 8 CO 0.09 0.54 -0.19 -0.39 0.00 0.00 0.00 179.25 179.31 2jm5 h VAL 9 N 0.92 1.08 0.00 0.00 -1.51 -0.40 -1.16 116.25 115.18 2jm5 h VAL 9 Ca 0.20 -0.65 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 2jm5 h VAL 9 Cb 0.36 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2jm5 h VAL 9 CO 0.00 0.18 -0.08 0.11 -1.23 0.00 0.00 177.57 176.56 2jm5 h LYS 10 N 0.00 0.00 0.00 5.19 6.56 -1.02 -0.58 116.57 126.72 2jm5 h LYS 10 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jm5 h LYS 10 Cb 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.00 2jm5 h LYS 10 CO 0.02 0.08 0.00 -1.49 -2.06 0.00 0.00 179.45 176.00 2jm5 h TRP 11 N 0.00 0.00 -0.03 -1.35 6.55 -0.93 -2.86 115.95 117.33 2jm5 h TRP 11 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2jm5 h TRP 11 Cb 0.16 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.46 2jm5 h TRP 11 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.80 2jm5 n GLY 12 N 0.18 -0.79 0.03 1.49 0.00 -0.22 -3.47 105.19 102.41 2jm5 n GLY 12 Ca 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 2jm5 n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jm5 n GLU 13 N -0.58 2.35 -3.69 1.61 -0.00 -1.08 -5.00 120.64 114.25 2jm5 n GLU 13 Ca 0.13 0.01 -0.20 0.00 -0.00 0.00 0.00 57.16 57.09 2jm5 n GLU 13 Cb 0.10 -1.16 -0.18 0.00 -0.00 0.00 0.00 31.44 30.20 2jm5 n GLU 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2jm5 s SER 14 N -3.99 1.20 0.37 -1.84 0.01 -1.23 -5.01 113.70 103.21 2jm5 s SER 14 Ca -0.05 0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.32 2jm5 s SER 14 Cb 0.02 -0.19 0.74 0.00 0.21 0.00 0.00 66.02 66.81 2jm5 s SER 14 CO 0.24 -0.24 1.99 0.15 0.41 0.00 0.00 173.24 175.79 2jm5 h PHE 15 N 8.41 0.72 -0.79 2.43 3.57 -1.93 -1.60 116.94 127.74 2jm5 h PHE 15 Ca -0.14 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.47 2jm5 h PHE 15 Cb 1.12 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 2jm5 h PHE 15 CO 0.48 0.41 0.45 0.22 -2.23 0.00 0.00 178.31 177.64 2jm5 h ASP 16 N 0.74 0.65 -0.51 0.41 3.58 -1.95 0.24 116.42 119.58 2jm5 h ASP 16 Ca 0.26 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.69 2jm5 h ASP 16 Cb 0.11 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2jm5 h ASP 16 CO -0.07 0.38 0.09 0.50 -2.88 0.00 0.00 179.24 177.25 2jm5 h LYS 17 N 0.77 0.85 -0.35 0.28 3.64 -1.66 0.42 116.57 120.52 2jm5 h LYS 17 Ca 0.37 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2jm5 h LYS 17 Cb 0.31 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2jm5 h LYS 17 CO -0.23 0.84 0.19 1.25 -2.27 0.00 0.00 179.45 179.22 2jm5 h LEU 18 N 0.73 0.43 -0.32 5.20 5.85 -1.11 -2.94 115.31 123.16 2jm5 h LEU 18 Ca 0.16 -0.09 -0.19 0.00 0.84 0.00 0.00 57.88 58.60 2jm5 h LEU 18 Cb 0.40 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2jm5 h LEU 18 CO 0.01 0.40 -0.85 0.25 -0.34 0.00 0.00 178.44 177.91 2jm5 h LEU 19 N 0.43 0.16 -0.00 2.25 5.85 -0.17 -2.26 115.31 121.57 2jm5 h LEU 19 Ca 0.12 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jm5 h LEU 19 Cb 0.07 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2jm5 h LEU 19 CO -0.02 0.93 -0.03 -1.20 -0.34 0.00 0.00 178.44 177.78 2jm5 n SER 20 N -3.63 0.04 -4.67 1.25 7.64 0.10 -4.34 113.62 110.02 2jm5 n SER 20 Ca -0.02 0.39 -0.40 0.00 1.01 0.00 0.00 58.87 59.84 2jm5 n SER 20 Cb 0.80 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 2jm5 n SER 20 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jm5 s HIS 21 N -2.96 3.40 0.24 1.43 3.76 -1.00 -4.95 115.29 115.21 2jm5 s HIS 21 Ca 0.15 1.00 -0.06 0.00 -0.15 0.00 0.00 55.06 56.00 2jm5 s HIS 21 Cb 0.19 -2.82 0.31 0.00 1.11 0.00 0.00 32.58 31.37 2jm5 s HIS 21 CO 0.54 -0.15 1.86 -0.09 -0.85 0.00 0.00 174.74 176.04 2jm5 h ARG 22 N 7.38 0.96 0.00 1.40 9.65 -1.83 0.39 114.38 132.33 2jm5 h ARG 22 Ca -0.32 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.44 2jm5 h ARG 22 Cb 1.15 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 2jm5 h ARG 22 CO 0.78 0.63 -0.29 -0.44 2.80 0.00 0.00 179.97 183.46 2jm5 h ASP 23 N 0.99 0.00 0.11 -3.80 3.32 -1.92 -1.03 116.42 114.09 2jm5 h ASP 23 Ca 0.36 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.14 2jm5 h ASP 23 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2jm5 h ASP 23 CO -0.16 0.29 -1.41 1.23 -1.72 0.00 0.00 179.24 177.46 2jm5 h GLY 24 N 1.09 0.27 0.66 2.75 0.00 -1.26 0.16 103.07 106.74 2jm5 h GLY 24 Ca -0.00 -0.70 0.11 0.00 0.00 0.00 0.00 47.33 46.74 2jm5 h GLY 24 CO 0.04 0.61 0.58 -2.00 0.00 0.00 0.00 176.54 175.77 2jm5 h LEU 25 N -0.31 0.79 -0.24 3.11 6.46 0.29 0.27 115.31 125.68 2jm5 h LEU 25 Ca -0.31 0.03 -0.17 0.00 -0.12 0.00 0.00 57.88 57.31 2jm5 h LEU 25 Cb 1.75 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.55 2jm5 h LEU 25 CO 0.05 0.45 -0.53 -0.08 -0.62 0.00 0.00 178.44 177.71 2jm5 h GLU 26 N 0.86 0.78 -0.44 1.25 4.57 -1.20 0.15 114.58 120.56 2jm5 h GLU 26 Ca 0.43 -0.52 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 2jm5 h GLU 26 Cb 0.47 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 2jm5 h GLU 26 CO -0.19 1.15 0.13 0.00 -1.18 0.00 0.00 179.01 178.92 2jm5 h ALA 27 N 0.63 0.57 -0.24 2.92 0.00 0.31 -0.29 119.26 123.16 2jm5 h ALA 27 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2jm5 h ALA 27 Cb 1.14 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jm5 h ALA 27 CO 0.12 0.23 -0.26 0.35 0.00 0.00 0.00 179.25 179.69 2jm5 h PHE 28 N 0.57 0.72 -0.50 0.00 3.57 -0.51 -2.57 116.94 118.23 2jm5 h PHE 28 Ca 0.14 -0.22 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 2jm5 h PHE 28 Cb 0.27 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2jm5 h PHE 28 CO 0.01 0.93 0.06 0.00 -2.23 0.00 0.00 178.31 177.08 2jm5 h THR 29 N 0.31 1.23 -0.21 4.41 1.03 -0.55 -0.27 112.91 118.86 2jm5 h THR 29 Ca 0.04 -0.91 -0.04 0.00 -0.01 0.00 0.00 66.41 65.48 2jm5 h THR 29 Cb 0.82 0.79 -0.01 0.00 -1.07 0.00 0.00 68.15 68.68 2jm5 h THR 29 CO 0.06 0.33 -0.06 0.03 -0.01 0.00 0.00 175.52 175.87 2jm5 h ARG 30 N 0.75 0.32 -0.06 0.00 3.08 -0.87 0.64 114.38 118.25 2jm5 h ARG 30 Ca 0.16 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 2jm5 h ARG 30 Cb 0.38 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2jm5 h ARG 30 CO 0.01 0.40 -0.76 0.35 -1.07 0.00 0.00 179.97 178.91 2jm5 h PHE 31 N 0.31 0.51 0.15 3.04 3.57 -1.00 -3.18 116.94 120.34 2jm5 h PHE 31 Ca 0.07 -0.24 -0.30 0.00 3.53 0.00 0.00 57.97 61.03 2jm5 h PHE 31 Cb 0.32 -0.08 0.03 0.00 2.79 0.00 0.00 35.95 39.01 2jm5 h PHE 31 CO 0.01 1.00 -1.29 1.25 -2.23 0.00 0.00 178.31 177.04 2jm5 h LEU 32 N 0.25 0.78 -0.34 0.59 5.85 0.43 -3.34 115.31 119.53 2jm5 h LEU 32 Ca -0.04 -0.76 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 2jm5 h LEU 32 Cb 1.34 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2jm5 h LEU 32 CO 0.13 1.57 0.17 0.11 -0.34 0.00 0.00 178.44 180.08 2jm5 h LYS 33 N 0.21 0.49 -0.14 1.25 1.57 0.15 -0.07 116.57 120.02 2jm5 h LYS 33 Ca -0.19 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.56 2jm5 h LYS 33 Cb 1.97 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 34.19 2jm5 h LYS 33 CO 0.24 0.43 0.10 0.00 -0.57 0.00 0.00 179.45 179.65 2jm5 h THR 34 N 0.42 0.89 -0.46 -0.16 1.03 -1.67 0.24 112.91 113.21 2jm5 h THR 34 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 66.42 2jm5 h THR 34 Cb 0.10 0.93 -0.06 0.00 -1.07 0.00 0.00 68.15 68.04 2jm5 h THR 34 CO -0.02 0.00 0.08 -1.84 -0.01 0.00 0.00 175.52 173.73 2jm5 n GLU 35 N -4.44 3.14 -1.08 0.00 0.28 -1.04 -4.94 120.64 112.56 2jm5 n GLU 35 Ca 0.00 -3.01 -0.06 0.00 -0.16 0.00 0.00 57.16 53.93 2jm5 n GLU 35 Cb 0.23 -1.99 -0.03 0.00 1.43 0.00 0.00 31.44 31.08 2jm5 n GLU 35 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2jm5 n PHE 36 N -0.42 -0.05 1.68 -1.84 1.16 0.07 -4.79 117.46 113.27 2jm5 n PHE 36 Ca 0.30 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 56.03 2jm5 n PHE 36 Cb 1.10 -2.24 0.67 0.00 -1.61 0.00 0.00 39.48 37.40 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2jm5 n SER 37 N -0.64 0.96 0.20 5.98 7.64 -0.08 -4.03 113.62 123.64 2jm5 n SER 37 Ca -0.06 -1.33 0.18 0.00 1.01 0.00 0.00 58.87 58.68 2jm5 n SER 37 Cb 0.48 -0.00 0.79 0.00 -1.01 0.00 0.00 64.21 64.47 2jm5 n SER 37 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2jm5 h GLU 38 N 1.49 0.00 -0.66 1.43 4.11 -1.77 -1.64 114.58 117.55 2jm5 h GLU 38 Ca 0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.36 59.59 2jm5 h GLU 38 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2jm5 h GLU 38 CO 0.00 0.00 0.46 1.05 0.07 0.00 0.00 179.01 180.59 2jm5 h GLU 39 N 0.00 0.17 -0.01 1.06 4.11 -1.91 -1.81 114.58 116.19 2jm5 h GLU 39 Ca 0.11 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.49 2jm5 h GLU 39 Cb 0.83 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2jm5 h GLU 39 CO -0.00 0.11 -0.13 -0.91 0.07 0.00 0.00 179.01 178.16 2jm5 h ASN 40 N 0.18 0.13 -0.26 3.06 2.35 -1.64 -1.13 115.58 118.26 2jm5 h ASN 40 Ca 0.32 -0.74 -0.11 0.00 -0.55 0.00 0.00 56.30 55.22 2jm5 h ASN 40 Cb 1.01 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 2jm5 h ASN 40 CO -0.05 0.85 -0.26 -0.29 -1.65 0.00 0.00 177.43 176.03 2jm5 h ILE 41 N -0.59 1.31 0.00 2.81 2.10 -1.66 -2.26 117.51 119.22 2jm5 h ILE 41 Ca -0.01 -1.42 0.00 0.00 1.08 0.00 0.00 64.86 64.50 2jm5 h ILE 41 Cb 0.86 1.63 0.00 0.00 -1.09 0.00 0.00 36.82 38.22 2jm5 h ILE 41 CO 0.03 0.45 0.00 -0.33 -1.08 0.00 0.00 178.15 177.21 2jm5 h GLU 42 N 0.36 0.00 0.66 2.19 3.07 -1.45 -2.30 114.58 117.11 2jm5 h GLU 42 Ca 0.04 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.88 2jm5 h GLU 42 Cb 0.82 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 2jm5 h GLU 42 CO 0.06 0.00 -0.42 0.35 -1.40 0.00 0.00 179.01 177.61 2jm5 h PHE 43 N 0.00 -1.11 0.00 4.33 3.57 -0.60 -0.48 116.94 122.66 2jm5 h PHE 43 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jm5 h PHE 43 Cb 0.62 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2jm5 h PHE 43 CO 0.00 -0.63 0.00 -2.67 -2.23 0.00 0.00 178.31 172.78 2jm5 n TRP 44 N -5.55 0.28 0.02 0.41 -0.00 -1.12 -1.65 117.44 109.83 2jm5 n TRP 44 Ca -0.13 0.09 -0.03 0.00 -0.00 0.00 0.00 57.50 57.43 2jm5 n TRP 44 Cb 0.44 -0.64 0.22 0.00 -0.00 0.00 0.00 31.31 31.33 2jm5 n TRP 44 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 2jm5 h ILE 45 N 0.00 1.25 -0.28 -1.67 2.04 -1.11 0.24 117.51 117.99 2jm5 h ILE 45 Ca 0.00 -1.19 -0.12 0.00 1.00 0.00 0.00 64.86 64.55 2jm5 h ILE 45 Cb 0.52 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2jm5 h ILE 45 CO 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 178.15 178.21 2jm5 h ALA 46 N 1.35 0.92 -0.39 1.87 0.00 -0.13 0.84 119.26 123.71 2jm5 h ALA 46 Ca 0.07 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2jm5 h ALA 46 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jm5 h ALA 46 CO 0.04 0.62 -0.15 0.00 0.00 0.00 0.00 179.25 179.77 2jm5 h GLU 48 N 0.60 0.09 -0.10 0.00 -0.00 -0.42 -0.05 114.58 114.70 2jm5 h GLU 48 Ca 0.09 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.36 59.34 2jm5 h GLU 48 Cb 0.69 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.44 2jm5 h GLU 48 CO 0.05 0.70 -0.15 0.22 -0.00 0.00 0.00 179.01 179.83 2jm5 h ASP 49 N 0.06 0.15 -0.13 3.06 1.82 -0.65 -2.25 116.42 118.48 2jm5 h ASP 49 Ca -0.01 -0.03 -0.15 0.00 -0.39 0.00 0.00 57.03 56.45 2jm5 h ASP 49 Cb 1.14 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 41.12 2jm5 h ASP 49 CO 0.09 0.32 -0.50 0.15 -1.61 0.00 0.00 179.24 177.68 2jm5 h PHE 50 N 0.15 0.76 0.00 0.28 3.57 -0.13 -2.79 116.94 118.77 2jm5 h PHE 50 Ca 0.03 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2jm5 h PHE 50 Cb 0.36 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2jm5 h PHE 50 CO 0.00 1.10 0.00 1.57 -2.23 0.00 0.00 178.31 178.75 2jm5 h LYS 51 N 0.20 0.00 0.00 1.11 2.10 -0.71 -1.04 116.57 118.23 2jm5 h LYS 51 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2jm5 h LYS 51 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2jm5 h LYS 51 CO 0.11 0.00 0.00 0.87 -2.00 0.00 0.00 179.45 178.43 2jm5 h LYS 52 N 0.00 0.00 -5.65 0.07 1.57 -1.14 -3.42 116.57 108.00 2jm5 h LYS 52 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2jm5 h LYS 52 Cb 0.33 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.54 2jm5 h LYS 52 CO 0.00 0.00 0.11 -1.12 -0.57 0.00 0.00 179.45 177.87 2jm5 s SER 53 N -4.68 6.68 -0.12 0.86 0.01 -0.40 -4.92 113.70 111.13 2jm5 s SER 53 Ca 0.08 0.82 0.15 0.00 1.31 0.00 0.00 55.95 58.32 2jm5 s SER 53 Cb 0.11 -2.35 0.55 0.00 0.21 0.00 0.00 66.02 64.54 2jm5 s SER 53 CO 0.56 -0.27 1.47 2.29 0.41 0.00 0.00 173.24 177.69 2jm5 n LYS 54 N 5.06 3.31 -3.55 12.44 -0.00 -1.26 -4.89 118.16 129.26 2jm5 n LYS 54 Ca -0.01 -2.69 -0.41 0.00 -0.00 0.00 0.00 58.31 55.20 2jm5 n LYS 54 Cb 0.50 -1.75 -0.11 0.00 -0.00 0.00 0.00 35.03 33.67 2jm5 n LYS 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2jm5 s GLY 55 N -1.33 1.95 0.55 2.58 0.00 -1.26 -4.96 107.32 104.84 2jm5 s GLY 55 Ca 0.41 -1.60 0.27 0.00 0.00 0.00 0.00 44.72 43.80 2jm5 s GLY 55 CO 0.15 0.83 2.16 -2.55 0.00 0.00 0.00 173.10 173.69 2jm5 h PRO 56 N 8.49 0.00 -0.32 2.90 0.11 -2.00 -1.70 132.00 139.48 2jm5 h PRO 56 Ca -0.28 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 2jm5 h PRO 56 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2jm5 h PRO 56 CO 0.67 0.06 -0.22 1.96 -0.21 0.00 0.00 178.00 180.26 2jm5 h GLN 57 N 0.00 0.71 -0.49 1.05 1.08 -2.00 -2.71 115.11 112.76 2jm5 h GLN 57 Ca -0.00 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 2jm5 h GLN 57 Cb 0.17 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 2jm5 h GLN 57 CO 0.01 0.95 0.26 1.96 -0.95 0.00 0.00 178.83 181.06 2jm5 h GLN 58 N 0.47 0.67 -0.56 1.46 1.08 -1.76 -2.47 115.11 113.99 2jm5 h GLN 58 Ca 0.06 -0.07 0.09 0.00 -1.45 0.00 0.00 58.65 57.28 2jm5 h GLN 58 Cb 0.78 -0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 28.00 2jm5 h GLN 58 CO 0.06 0.50 0.19 0.82 -0.95 0.00 0.00 178.83 179.45 2jm5 h ILE 59 N 0.68 0.77 0.22 2.54 1.08 -1.05 0.55 117.51 122.29 2jm5 h ILE 59 Ca 0.17 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.52 2jm5 h ILE 59 Cb 0.04 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 2jm5 h ILE 59 CO -0.03 0.07 -0.24 0.45 -0.69 0.00 0.00 178.15 177.71 2jm5 h HIS 60 N 0.36 -0.63 0.79 1.37 3.86 -1.36 -0.33 115.15 119.21 2jm5 h HIS 60 Ca 0.28 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.46 2jm5 h HIS 60 Cb 0.34 0.25 0.01 0.00 1.06 0.00 0.00 27.41 29.07 2jm5 h HIS 60 CO -0.18 -0.35 -0.38 -0.07 0.86 0.00 0.00 177.93 177.82 2jm5 h LEU 61 N -0.50 -0.89 -0.68 2.43 3.38 -1.30 -1.26 115.31 116.49 2jm5 h LEU 61 Ca 0.00 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2jm5 h LEU 61 Cb 0.47 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2jm5 h LEU 61 CO -0.07 -0.59 0.41 0.11 0.09 0.00 0.00 178.44 178.39 2jm5 h LYS 62 N -1.17 0.75 -0.20 1.13 1.57 0.02 -0.25 116.57 118.43 2jm5 h LYS 62 Ca -0.11 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 2jm5 h LYS 62 Cb 0.81 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2jm5 h LYS 62 CO 0.18 0.50 0.02 0.00 -0.57 0.00 0.00 179.45 179.57 2jm5 h ALA 63 N 1.31 0.26 -0.87 3.86 0.00 -1.06 -1.31 119.26 121.45 2jm5 h ALA 63 Ca 0.28 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2jm5 h ALA 63 Cb 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2jm5 h ALA 63 CO -0.13 -0.05 0.57 -0.22 0.00 0.00 0.00 179.25 179.42 2jm5 h LYS 64 N 0.11 0.99 -0.06 0.00 1.63 -0.89 0.29 116.57 118.64 2jm5 h LYS 64 Ca 0.06 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2jm5 h LYS 64 Cb 0.35 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2jm5 h LYS 64 CO 0.01 0.66 -0.00 0.00 -3.45 0.00 0.00 179.45 176.66 2jm5 h ALA 65 N 1.51 0.08 -0.65 5.00 0.00 -0.79 -0.41 119.26 123.99 2jm5 h ALA 65 Ca 0.36 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2jm5 h ALA 65 Cb 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2jm5 h ALA 65 CO -0.12 -0.24 0.16 0.82 0.00 0.00 0.00 179.25 179.87 2jm5 h ILE 66 N -0.21 1.25 0.54 0.00 2.04 -0.72 -1.90 117.51 118.51 2jm5 h ILE 66 Ca 0.02 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 2jm5 h ILE 66 Cb 0.36 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2jm5 h ILE 66 CO 0.00 0.35 -0.50 0.22 0.00 0.00 0.00 178.15 178.22 2jm5 h TYR 67 N 0.98 -1.38 0.00 1.37 3.20 -0.32 -0.55 116.97 120.27 2jm5 h TYR 67 Ca 0.21 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2jm5 h TYR 67 Cb 0.35 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 2jm5 h TYR 67 CO 0.02 -0.68 -0.05 0.93 -1.64 0.00 0.00 178.16 176.75 2jm5 h GLU 68 N -1.03 0.00 0.00 1.82 5.08 -0.96 0.49 114.58 119.98 2jm5 h GLU 68 Ca -0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2jm5 h GLU 68 Cb 0.88 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2jm5 h GLU 68 CO -0.04 0.05 -0.97 -0.22 -1.00 0.00 0.00 179.01 176.82 2jm5 h LYS 69 N 0.00 0.00 0.00 2.33 3.64 -1.14 -3.37 116.57 118.03 2jm5 h LYS 69 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jm5 h LYS 69 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2jm5 h LYS 69 CO 0.01 0.24 -0.01 1.19 -2.27 0.00 0.00 179.45 178.61 2jm5 n PHE 70 N -2.93 -2.08 0.25 1.91 3.72 -0.23 -2.68 117.46 115.42 2jm5 n PHE 70 Ca -0.03 0.37 0.13 0.00 -0.05 0.00 0.00 57.45 57.87 2jm5 n PHE 70 Cb 0.72 0.49 0.65 0.00 -0.94 0.00 0.00 39.48 40.39 2jm5 n PHE 70 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2jm5 h ILE 71 N 0.00 0.42 -4.08 4.37 1.08 -0.61 -2.61 117.51 116.08 2jm5 h ILE 71 Ca 0.00 -0.72 -0.50 0.00 -0.39 0.00 0.00 64.86 63.25 2jm5 h ILE 71 Cb 0.01 1.51 0.06 0.00 -3.07 0.00 0.00 36.82 35.34 2jm5 h ILE 71 CO 0.00 0.13 0.43 -1.58 -0.69 0.00 0.00 178.15 176.44 2jm5 s GLN 72 N -3.89 3.47 -0.02 2.37 2.00 0.14 -4.93 119.66 118.80 2jm5 s GLN 72 Ca -0.01 1.58 -0.08 0.00 -2.00 0.00 0.00 55.36 54.85 2jm5 s GLN 72 Cb 0.11 -2.05 -0.30 0.00 0.80 0.00 0.00 33.01 31.57 2jm5 s GLN 72 CO 0.59 -0.75 0.78 1.15 -0.50 0.00 0.00 175.29 176.55 2jm5 h THR 73 N 1.32 1.06 -0.13 -0.34 2.02 -1.90 -3.17 112.91 111.76 2jm5 h THR 73 Ca -0.50 -2.64 -0.02 0.00 0.77 0.00 0.00 66.41 64.02 2jm5 h THR 73 Cb 1.25 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 70.44 2jm5 h THR 73 CO 0.58 0.84 0.03 -0.90 0.37 0.00 0.00 175.52 176.43 2jm5 n ASP 74 N -3.55 2.21 -4.74 4.18 5.68 -1.26 -4.92 116.55 114.15 2jm5 n ASP 74 Ca -0.21 -2.22 -0.33 0.00 -0.50 0.00 0.00 54.79 51.54 2jm5 n ASP 74 Cb 1.07 -0.54 0.08 0.00 -1.14 0.00 0.00 41.12 40.59 2jm5 n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jm5 s ALA 75 N -1.22 2.19 0.29 2.12 0.00 -1.20 -4.92 121.76 119.03 2jm5 s ALA 75 Ca 0.11 0.62 0.31 0.00 0.00 0.00 0.00 51.96 53.00 2jm5 s ALA 75 Cb 0.09 -3.38 1.45 0.00 0.00 0.00 0.00 23.12 21.28 2jm5 s ALA 75 CO 0.03 -1.74 2.03 -1.00 0.00 0.00 0.00 175.76 175.08 2jm5 h PRO 76 N -0.51 0.00 0.00 0.00 0.13 -1.73 -3.38 132.00 126.52 2jm5 h PRO 76 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jm5 h PRO 76 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2jm5 h PRO 76 CO 0.51 0.09 -0.63 1.63 -0.23 0.00 0.00 178.00 179.36 2jm5 n LYS 77 N -3.33 0.00 -0.59 0.86 5.02 -1.16 -5.11 118.16 113.85 2jm5 n LYS 77 Ca -0.01 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.36 2jm5 n LYS 77 Cb 0.28 -0.45 -0.02 0.00 -0.02 0.00 0.00 35.03 34.82 2jm5 n LYS 77 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jm5 n GLU 78 N -2.63 -1.20 -4.09 1.97 1.02 -1.09 -5.00 120.64 109.62 2jm5 n GLU 78 Ca 0.00 0.80 -0.14 0.00 -0.02 0.00 0.00 57.16 57.80 2jm5 n GLU 78 Cb 0.31 -1.45 -0.12 0.00 -0.02 0.00 0.00 31.44 30.17 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jm5 s VAL 79 N -1.64 0.66 0.00 2.62 1.01 -0.98 -4.75 120.40 117.32 2jm5 s VAL 79 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2jm5 s VAL 79 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.67 2jm5 s VAL 79 CO 0.00 -0.35 1.29 0.59 0.00 0.00 0.00 175.10 176.63 2jm5 n ASN 80 N 1.41 3.56 -4.85 3.32 3.02 -1.26 -4.87 115.26 115.59 2jm5 n ASN 80 Ca -0.22 -1.93 -0.32 0.00 -0.03 0.00 0.00 54.58 52.08 2jm5 n ASN 80 Cb 0.55 -0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 2jm5 n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jm5 s LEU 81 N 0.00 4.00 0.73 3.41 2.96 -1.26 -4.94 118.68 123.57 2jm5 s LEU 81 Ca 0.00 1.26 -0.11 0.00 -0.22 0.00 0.00 54.13 55.05 2jm5 s LEU 81 Cb 0.00 -4.08 0.03 0.00 0.50 0.00 0.00 46.19 42.63 2jm5 s LEU 81 CO 0.00 -0.26 1.08 1.51 -1.32 0.00 0.00 176.35 177.36 2jm5 s ASP 82 N -2.50 5.18 0.33 3.68 -4.77 -1.26 -4.94 116.67 112.39 2jm5 s ASP 82 Ca 0.54 1.30 0.05 0.00 -3.30 0.00 0.00 52.55 51.14 2jm5 s ASP 82 Cb -0.10 -2.11 0.57 0.00 -1.09 0.00 0.00 42.92 40.18 2jm5 s ASP 82 CO 0.21 -1.53 1.83 -0.26 0.70 0.00 0.00 175.17 176.11 2jm5 h PHE 83 N -0.78 0.47 -0.12 2.11 -1.00 -1.99 -2.74 116.94 112.89 2jm5 h PHE 83 Ca -0.45 -0.07 -0.13 0.00 2.81 0.00 0.00 57.97 60.13 2jm5 h PHE 83 Cb 1.25 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.68 2jm5 h PHE 83 CO 0.52 0.56 -0.43 1.25 -1.61 0.00 0.00 178.31 178.60 2jm5 h HIS 84 N 0.41 0.66 0.08 -0.55 2.76 -1.99 -1.12 115.15 115.41 2jm5 h HIS 84 Ca 0.08 -0.27 -0.00 0.00 -2.20 0.00 0.00 60.37 57.97 2jm5 h HIS 84 Cb 0.46 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.31 2jm5 h HIS 84 CO 0.01 1.03 -0.04 1.15 -1.30 0.00 0.00 177.93 178.78 2jm5 h THR 85 N 0.10 1.04 -0.38 6.26 2.02 -1.96 -2.70 112.91 117.30 2jm5 h THR 85 Ca -0.02 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2jm5 h THR 85 Cb 1.06 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 2jm5 h THR 85 CO 0.09 0.11 0.16 0.07 0.37 0.00 0.00 175.52 176.32 2jm5 h LYS 86 N -0.31 0.53 0.18 6.66 2.10 -1.51 -2.07 116.57 122.15 2jm5 h LYS 86 Ca -0.01 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2jm5 h LYS 86 Cb 0.26 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 2jm5 h LYS 86 CO 0.02 0.43 -0.19 1.49 -2.00 0.00 0.00 179.45 179.20 2jm5 h GLU 87 N 0.53 -0.39 -0.43 0.07 4.57 -1.06 0.15 114.58 118.02 2jm5 h GLU 87 Ca 0.13 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2jm5 h GLU 87 Cb 0.09 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2jm5 h GLU 87 CO -0.02 -0.26 0.18 0.28 -1.18 0.00 0.00 179.01 178.01 2jm5 h VAL 88 N -0.40 1.16 -0.21 0.32 2.07 -1.07 -1.55 116.25 116.57 2jm5 h VAL 88 Ca 0.00 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2jm5 h VAL 88 Cb 0.38 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2jm5 h VAL 88 CO -0.05 0.19 -0.04 0.40 0.02 0.00 0.00 177.57 178.09 2jm5 h ILE 89 N 0.60 1.28 -0.28 4.57 2.04 -0.89 -1.65 117.51 123.18 2jm5 h ILE 89 Ca 0.15 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 65.03 2jm5 h ILE 89 Cb 0.12 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2jm5 h ILE 89 CO -0.02 0.31 0.19 0.71 0.00 0.00 0.00 178.15 179.34 2jm5 h THR 90 N 0.13 1.01 0.01 -0.27 1.35 0.20 0.19 112.91 115.54 2jm5 h THR 90 Ca 0.06 -0.10 -0.19 0.00 -0.55 0.00 0.00 66.41 65.63 2jm5 h THR 90 Cb 0.48 0.71 0.02 0.00 -1.73 0.00 0.00 68.15 67.62 2jm5 h THR 90 CO 0.02 0.05 -0.75 0.78 -0.25 0.00 0.00 175.52 175.36 2jm5 h ASN 91 N 0.28 0.65 -0.63 5.36 -0.26 -1.08 -3.32 115.58 116.58 2jm5 h ASN 91 Ca 0.11 -0.76 0.00 0.00 -0.56 0.00 0.00 56.30 55.09 2jm5 h ASN 91 Cb 0.11 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 2jm5 h ASN 91 CO -0.02 1.33 0.00 -0.24 -1.06 0.00 0.00 177.43 177.44 2jm5 n SER 92 N -4.10 4.16 0.19 5.81 2.88 -0.64 -4.26 113.62 117.66 2jm5 n SER 92 Ca -0.11 -2.23 0.09 0.00 -1.33 0.00 0.00 58.87 55.29 2jm5 n SER 92 Cb 0.75 -0.49 0.14 0.00 -0.75 0.00 0.00 64.21 63.85 2jm5 n SER 92 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2jm5 h ILE 93 N 3.79 0.33 0.00 2.46 6.09 -0.74 -1.97 117.51 127.47 2jm5 h ILE 93 Ca 0.00 -1.44 0.00 0.00 -1.37 0.00 0.00 64.86 62.05 2jm5 h ILE 93 Cb 1.17 2.14 0.00 0.00 0.47 0.00 0.00 36.82 40.60 2jm5 h ILE 93 CO 0.11 0.19 0.00 0.00 -3.07 0.00 0.00 178.15 175.37 2jm5 h THR 94 N 0.00 0.00 -1.06 2.19 1.03 -1.81 -3.33 112.91 109.94 2jm5 h THR 94 Ca -0.00 -0.37 -0.39 0.00 -0.01 0.00 0.00 66.41 65.64 2jm5 h THR 94 Cb 1.12 1.25 -0.27 0.00 -1.07 0.00 0.00 68.15 69.19 2jm5 h THR 94 CO 0.02 0.00 -0.80 0.00 -0.01 0.00 0.00 175.52 174.73 2jm5 n GLN 95 N -2.72 0.72 -1.65 0.00 10.64 -0.92 -5.08 117.38 118.37 2jm5 n GLN 95 Ca 0.01 -2.49 -0.30 0.00 -1.83 0.00 0.00 57.00 52.38 2jm5 n GLN 95 Cb 0.26 -1.35 0.07 0.00 -0.86 0.00 0.00 30.24 28.36 2jm5 n GLN 95 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2jm5 s PRO 96 N -0.20 2.49 0.41 2.61 0.04 -0.79 -4.88 135.00 134.67 2jm5 s PRO 96 Ca 0.33 0.65 0.03 0.00 0.04 0.00 0.00 61.00 62.06 2jm5 s PRO 96 Cb 0.19 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 2jm5 s PRO 96 CO -0.18 -1.34 0.09 0.95 0.04 0.00 0.00 177.00 176.56 2jm5 s THR 97 N -3.19 0.85 0.43 1.26 -4.23 -1.26 -4.81 115.64 104.69 2jm5 s THR 97 Ca 0.59 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.41 2jm5 s THR 97 Cb -0.13 -2.42 0.33 0.00 1.34 0.00 0.00 72.50 71.62 2jm5 s THR 97 CO 0.54 0.00 2.12 0.25 -0.54 0.00 0.00 174.62 176.99 2jm5 h LEU 98 N 1.78 0.00 -4.07 4.79 5.85 -1.96 -2.62 115.31 119.07 2jm5 h LEU 98 Ca -0.38 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 57.80 2jm5 h LEU 98 Cb 1.27 0.00 -0.43 0.00 0.37 0.00 0.00 40.66 41.88 2jm5 h LEU 98 CO 0.63 0.08 -0.82 1.41 -0.34 0.00 0.00 178.44 179.40 2jm5 n HIS 99 N -3.52 2.80 0.25 1.25 8.25 -1.26 -4.43 115.22 118.56 2jm5 n HIS 99 Ca -0.02 -2.46 0.12 0.00 -0.26 0.00 0.00 57.72 55.10 2jm5 n HIS 99 Cb 0.21 -0.27 0.64 0.00 1.12 0.00 0.00 29.99 31.69 2jm5 n HIS 99 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2jm5 h SER 100 N 2.33 0.00 -0.26 0.41 0.02 -1.87 -2.67 113.55 111.51 2jm5 h SER 100 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2jm5 h SER 100 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2jm5 h SER 100 CO 0.74 0.15 0.00 0.49 -1.14 0.00 0.00 176.83 177.07 2jm5 n PHE 101 N -3.48 0.75 -0.18 3.45 3.72 -1.26 -4.70 117.46 115.76 2jm5 n PHE 101 Ca -0.01 -0.79 -0.07 0.00 -0.05 0.00 0.00 57.45 56.53 2jm5 n PHE 101 Cb 0.31 -0.23 0.02 0.00 -0.94 0.00 0.00 39.48 38.64 2jm5 n PHE 101 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2jm5 h ASP 102 N 1.70 0.64 0.30 4.37 3.58 -1.81 0.24 116.42 125.44 2jm5 h ASP 102 Ca 0.00 -0.05 -0.23 0.00 0.42 0.00 0.00 57.03 57.17 2jm5 h ASP 102 Cb 1.23 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2jm5 h ASP 102 CO 0.15 0.50 -0.93 0.00 -2.88 0.00 0.00 179.24 176.09 2jm5 h ALA 103 N 1.16 0.37 -0.50 -0.78 0.00 -1.84 -2.73 119.26 114.94 2jm5 h ALA 103 Ca 0.19 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2jm5 h ALA 103 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jm5 h ALA 103 CO -0.04 0.80 0.04 0.00 0.00 0.00 0.00 179.25 180.06 2jm5 h ALA 104 N 0.73 1.15 -0.09 0.00 0.00 -1.77 0.93 119.26 120.21 2jm5 h ALA 104 Ca -0.08 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2jm5 h ALA 104 Cb 1.56 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2jm5 h ALA 104 CO 0.16 0.56 -0.11 0.37 0.00 0.00 0.00 179.25 180.23 2jm5 h GLN 105 N 0.75 -0.13 -0.30 0.00 -0.00 -0.43 -0.77 115.11 114.23 2jm5 h GLN 105 Ca 0.15 0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.74 2jm5 h GLN 105 Cb 0.39 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.89 2jm5 h GLN 105 CO 0.01 -0.09 -0.13 0.77 0.00 0.00 0.00 178.83 179.40 2jm5 h SER 106 N -0.14 0.50 0.33 -0.69 0.02 -1.07 -0.55 113.55 111.95 2jm5 h SER 106 Ca 0.07 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2jm5 h SER 106 Cb 0.24 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2jm5 h SER 106 CO -0.18 0.66 -0.16 0.03 -1.14 0.00 0.00 176.83 176.04 2jm5 h ARG 107 N 0.47 -0.42 -0.50 3.45 2.47 -0.32 -2.03 114.38 117.50 2jm5 h ARG 107 Ca 0.09 0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.77 2jm5 h ARG 107 Cb 0.50 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 2jm5 h ARG 107 CO 0.03 -0.23 0.02 0.28 0.56 0.00 0.00 179.97 180.63 2jm5 h VAL 108 N -0.52 1.24 -0.17 2.04 2.07 -0.93 0.42 116.25 120.40 2jm5 h VAL 108 Ca -0.05 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.54 2jm5 h VAL 108 Cb 0.39 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2jm5 h VAL 108 CO 0.07 0.35 -0.10 0.22 0.02 0.00 0.00 177.57 178.14 2jm5 h TYR 109 N 0.77 -0.24 -0.13 1.57 5.03 -1.03 -0.15 116.97 122.78 2jm5 h TYR 109 Ca 0.15 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.33 2jm5 h TYR 109 Cb 0.43 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 2jm5 h TYR 109 CO 0.02 -0.15 -0.56 -0.56 -1.32 0.00 0.00 178.16 175.59 2jm5 h GLN 110 N -0.09 0.40 0.17 1.82 3.07 -0.85 -1.63 115.11 117.99 2jm5 h GLN 110 Ca 0.10 -0.26 0.01 0.00 0.09 0.00 0.00 58.65 58.60 2jm5 h GLN 110 Cb 0.23 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.79 2jm5 h GLN 110 CO -0.23 0.85 -0.32 -0.07 0.09 0.00 0.00 178.83 179.15 2jm5 h LEU 111 N 0.31 -0.91 -1.40 0.06 3.38 -0.59 -0.81 115.31 115.34 2jm5 h LEU 111 Ca 0.00 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2jm5 h LEU 111 Cb 1.07 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2jm5 h LEU 111 CO 0.10 -0.42 -0.10 0.24 0.09 0.00 0.00 178.44 178.34 2jm5 h MET 112 N -0.57 0.27 0.63 1.13 2.86 -0.98 -1.31 114.93 116.94 2jm5 h MET 112 Ca 0.02 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2jm5 h MET 112 Cb 0.58 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.21 2jm5 h MET 112 CO -0.16 0.38 -0.30 1.49 1.06 0.00 0.00 176.91 179.38 2jm5 h GLU 113 N 0.26 -0.81 0.00 1.72 4.81 -0.61 0.54 114.58 120.49 2jm5 h GLU 113 Ca 0.05 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2jm5 h GLU 113 Cb 0.35 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 2jm5 h GLU 113 CO 0.02 -0.54 -0.07 -0.56 -0.73 0.00 0.00 179.01 177.13 2jm5 h GLN 114 N -0.98 0.00 0.00 1.92 3.07 -1.10 -2.12 115.11 115.90 2jm5 h GLN 114 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.65 2jm5 h GLN 114 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.21 2jm5 h GLN 114 CO 0.14 0.07 -0.76 -3.47 0.09 0.00 0.00 178.83 174.90 2jm5 n ASP 115 N -3.24 1.60 -0.00 0.06 2.03 -0.50 -4.78 116.55 111.71 2jm5 n ASP 115 Ca -0.00 0.33 0.10 0.00 0.52 0.00 0.00 54.79 55.73 2jm5 n ASP 115 Cb 0.30 -0.72 -0.14 0.00 -0.72 0.00 0.00 41.12 39.84 2jm5 n ASP 115 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jm5 n SER 116 N -4.15 0.63 -0.03 1.67 2.88 0.10 -3.87 113.62 110.85 2jm5 n SER 116 Ca -0.11 -0.57 -0.15 0.00 -1.33 0.00 0.00 58.87 56.71 2jm5 n SER 116 Cb 0.40 1.41 -0.10 0.00 -0.75 0.00 0.00 64.21 65.17 2jm5 n SER 116 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2jm5 h TYR 117 N 0.00 0.37 -0.93 0.66 3.20 0.57 0.45 116.97 121.29 2jm5 h TYR 117 Ca 0.00 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 2jm5 h TYR 117 Cb 0.69 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 2jm5 h TYR 117 CO 0.00 0.91 0.57 0.00 -1.64 0.00 0.00 178.16 178.00 2jm5 h THR 118 N -0.28 1.25 -0.65 1.81 1.03 -1.75 0.12 112.91 114.43 2jm5 h THR 118 Ca -0.02 -0.53 -0.03 0.00 -0.01 0.00 0.00 66.41 65.82 2jm5 h THR 118 Cb 0.95 -0.07 -0.03 0.00 -1.07 0.00 0.00 68.15 67.93 2jm5 h THR 118 CO 0.06 0.26 0.27 -0.09 -0.01 0.00 0.00 175.52 176.01 2jm5 h ARG 119 N 1.27 0.96 -0.59 0.00 9.65 -1.64 -1.91 114.38 122.12 2jm5 h ARG 119 Ca 0.33 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 59.02 2jm5 h ARG 119 Cb -0.08 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.32 2jm5 h ARG 119 CO -0.06 0.79 0.24 0.35 2.80 0.00 0.00 179.97 184.09 2jm5 h PHE 120 N 0.90 0.86 0.00 2.20 3.57 0.75 0.19 116.94 125.41 2jm5 h PHE 120 Ca 0.22 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2jm5 h PHE 120 Cb 0.18 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 2jm5 h PHE 120 CO 0.01 0.66 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.58 2jm5 h LEU 121 N 0.85 0.00 -2.20 0.59 3.38 -0.01 0.16 115.31 118.08 2jm5 h LEU 121 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2jm5 h LEU 121 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2jm5 h LEU 121 CO -0.02 0.10 0.00 0.29 0.09 0.00 0.00 178.44 178.90 2jm5 n LYS 122 N -3.61 2.21 -2.08 1.13 4.76 -0.54 -4.68 118.16 115.34 2jm5 n LYS 122 Ca -0.02 -2.04 -0.33 0.00 -2.87 0.00 0.00 58.31 53.05 2jm5 n LYS 122 Cb 0.22 -1.43 0.01 0.00 -1.84 0.00 0.00 35.03 31.99 2jm5 n LYS 122 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2jm5 s SER 123 N -1.40 5.73 0.22 4.39 1.04 0.54 -4.88 113.70 119.35 2jm5 s SER 123 Ca 0.31 1.90 -0.09 0.00 0.48 0.00 0.00 55.95 58.55 2jm5 s SER 123 Cb 0.19 -2.54 0.17 0.00 0.10 0.00 0.00 66.02 63.94 2jm5 s SER 123 CO 0.27 -1.20 1.89 -0.78 0.98 0.00 0.00 173.24 174.39 2jm5 h ASP 124 N 0.60 0.93 -0.53 7.02 3.58 -1.90 0.34 116.42 126.46 2jm5 h ASP 124 Ca -0.47 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 56.92 2jm5 h ASP 124 Cb 1.23 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 2jm5 h ASP 124 CO 0.57 0.68 0.23 -0.29 -2.88 0.00 0.00 179.24 177.54 2jm5 h ILE 125 N 1.09 1.21 -0.16 2.25 6.09 -1.93 0.28 117.51 126.35 2jm5 h ILE 125 Ca 0.29 -0.65 -0.19 0.00 -1.37 0.00 0.00 64.86 62.95 2jm5 h ILE 125 Cb -0.11 0.65 -0.00 0.00 0.47 0.00 0.00 36.82 37.82 2jm5 h ILE 125 CO -0.06 0.25 -0.66 0.22 -3.07 0.00 0.00 178.15 174.83 2jm5 h TYR 126 N 0.72 0.80 0.00 2.19 3.20 -1.65 -1.58 116.97 120.64 2jm5 h TYR 126 Ca 0.18 -0.32 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 2jm5 h TYR 126 Cb 0.18 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2jm5 h TYR 126 CO 0.00 1.10 -0.19 -0.07 -1.64 0.00 0.00 178.16 177.36 2jm5 h LEU 127 N 0.44 0.00 -0.36 2.82 3.38 -0.74 -0.20 115.31 120.65 2jm5 h LEU 127 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2jm5 h LEU 127 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2jm5 h LEU 127 CO 0.13 0.19 -0.62 -0.78 0.09 0.00 0.00 178.44 177.45 2jm5 h ASP 128 N 0.00 0.00 0.89 -0.43 3.58 -0.46 -2.56 116.42 117.44 2jm5 h ASP 128 Ca -0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.27 2jm5 h ASP 128 Cb 0.38 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2jm5 h ASP 128 CO 0.02 0.62 -0.83 -0.07 -2.88 0.00 0.00 179.24 176.10 2jm5 h LEU 129 N 0.00 0.00 -0.24 2.28 3.38 -0.23 -1.41 115.31 119.09 2jm5 h LEU 129 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2jm5 h LEU 129 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2jm5 h LEU 129 CO 0.08 0.83 0.06 0.24 0.09 0.00 0.00 178.44 179.74 2jm5 h MET 130 N 0.00 0.38 0.00 1.13 2.86 -0.88 -2.21 114.93 116.21 2jm5 h MET 130 Ca -0.01 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2jm5 h MET 130 Cb 1.50 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.11 2jm5 h MET 130 CO 0.11 0.48 0.00 1.05 1.06 0.00 0.00 176.91 179.61 2jm5 h GLU 131 N 0.21 0.00 -4.20 1.72 4.11 -1.51 -3.44 114.58 111.47 2jm5 h GLU 131 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.47 2jm5 h GLU 131 Cb 0.27 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.54 2jm5 h GLU 131 CO 0.00 0.00 -0.11 0.41 0.07 0.00 0.00 179.01 179.38 2jm5 n GLY 132 N 0.60 -0.62 3.07 1.06 0.00 -0.83 -4.84 105.19 103.63 2jm5 n GLY 132 Ca 0.03 0.14 -0.54 0.00 0.00 0.00 0.00 46.02 45.65 2jm5 n GLY 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jm5 n ARG 133 N -1.63 0.00 0.00 1.61 0.63 -0.58 -4.99 116.66 111.70 2jm5 n ARG 133 Ca -0.01 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.05 2jm5 n ARG 133 Cb 0.51 -1.40 0.75 0.00 0.45 0.00 0.00 32.46 32.77 2jm5 n ARG 133 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82