#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 3.17 -4.06 1.43 2.81 -1.26 -4.93 117.12 114.28 2jm5 n MET 2 Ca 0.00 -3.00 -0.34 0.00 -1.81 0.00 0.00 57.70 52.55 2jm5 n MET 2 Cb 0.00 -2.19 -0.07 0.00 -0.71 0.00 0.00 33.22 30.25 2jm5 n MET 2 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2jm5 s VAL 3 N -3.05 4.98 0.37 2.03 0.11 -1.26 -5.06 120.40 118.53 2jm5 s VAL 3 Ca 0.55 -0.17 -0.25 0.00 -2.93 0.00 0.00 61.98 59.18 2jm5 s VAL 3 Cb 0.45 -3.22 -0.09 0.00 -1.53 0.00 0.00 36.38 31.99 2jm5 s VAL 3 CO 0.12 0.47 1.06 -0.55 -3.33 0.00 0.00 175.10 172.87 2jm5 s SER 4 N -1.41 6.86 0.58 3.54 0.15 -1.26 -4.91 113.70 117.24 2jm5 s SER 4 Ca 0.20 2.09 0.27 0.00 0.70 0.00 0.00 55.95 59.21 2jm5 s SER 4 Cb -0.12 -2.59 1.59 0.00 -1.71 0.00 0.00 66.02 63.19 2jm5 s SER 4 CO 0.10 -0.42 2.09 -0.65 1.20 0.00 0.00 173.24 175.55 2jm5 h PRO 5 N 2.77 0.00 -0.07 5.44 0.11 -1.91 0.19 132.00 138.53 2jm5 h PRO 5 Ca -0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2jm5 h PRO 5 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2jm5 h PRO 5 CO 0.63 0.00 -0.23 0.93 -0.21 0.00 0.00 178.00 179.13 2jm5 h GLU 6 N 0.00 0.28 -0.12 1.05 4.39 -1.92 -1.30 114.58 116.96 2jm5 h GLU 6 Ca 0.10 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 2jm5 h GLU 6 Cb 0.53 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2jm5 h GLU 6 CO -0.00 0.83 -0.35 1.49 -1.16 0.00 0.00 179.01 179.81 2jm5 h GLU 7 N -0.22 0.23 -0.47 2.33 4.57 -1.61 -2.46 114.58 116.94 2jm5 h GLU 7 Ca -0.01 -0.10 -0.13 0.00 -1.18 0.00 0.00 59.36 57.95 2jm5 h GLU 7 Cb 0.85 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 2jm5 h GLU 7 CO 0.05 0.56 -0.20 0.00 -1.18 0.00 0.00 179.01 178.24 2jm5 h ALA 8 N 1.43 0.75 0.00 2.92 0.00 -0.66 -2.60 119.26 121.09 2jm5 h ALA 8 Ca 0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2jm5 h ALA 8 Cb 0.73 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jm5 h ALA 8 CO 0.05 0.67 -0.13 -0.39 0.00 0.00 0.00 179.25 179.46 2jm5 h VAL 9 N 0.83 0.64 0.00 0.00 -1.51 -0.78 -0.38 116.25 115.05 2jm5 h VAL 9 Ca 0.11 -0.54 -0.02 0.00 -1.23 0.00 0.00 66.70 65.03 2jm5 h VAL 9 Cb 0.76 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2jm5 h VAL 9 CO 0.06 0.12 -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 1.79 -1.13 -1.94 116.57 120.47 2jm5 h LYS 10 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jm5 h LYS 10 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2jm5 h LYS 10 CO 0.02 0.08 0.00 -1.49 -1.08 0.00 0.00 179.45 176.97 2jm5 h TRP 11 N 0.00 0.00 -0.12 -1.35 6.55 -0.96 -1.74 115.95 118.32 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 0.50 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.80 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 0.16 -0.05 0.12 1.49 0.00 -0.73 -3.57 105.19 102.60 2jm5 n GLY 12 Ca 0.02 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 2jm5 n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jm5 n GLU 13 N 0.03 0.72 -3.64 1.61 1.02 -0.65 -4.97 120.64 114.75 2jm5 n GLU 13 Ca 0.15 0.24 -0.08 0.00 -0.02 0.00 0.00 57.16 57.45 2jm5 n GLU 13 Cb 0.26 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 2jm5 n GLU 13 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jm5 s SER 14 N -6.71 -0.88 0.38 1.62 0.15 -1.23 -5.02 113.70 102.01 2jm5 s SER 14 Ca -0.20 1.44 0.05 0.00 0.70 0.00 0.00 55.95 57.94 2jm5 s SER 14 Cb 0.07 1.34 0.75 0.00 -1.71 0.00 0.00 66.02 66.47 2jm5 s SER 14 CO 0.76 -0.24 2.03 0.15 1.20 0.00 0.00 173.24 177.15 2jm5 h PHE 15 N 6.71 0.65 -0.84 3.44 3.57 -1.94 -1.39 116.94 127.15 2jm5 h PHE 15 Ca -0.30 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 2jm5 h PHE 15 Cb 1.22 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 2jm5 h PHE 15 CO 0.12 0.41 0.48 0.22 -2.23 0.00 0.00 178.31 177.31 2jm5 h ASP 16 N 0.70 1.03 -0.46 0.41 3.58 -1.95 0.23 116.42 119.96 2jm5 h ASP 16 Ca 0.19 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 2jm5 h ASP 16 Cb -0.08 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.70 2jm5 h ASP 16 CO -0.04 0.82 -0.01 0.50 -2.88 0.00 0.00 179.24 177.63 2jm5 h LYS 17 N 1.17 0.82 0.01 0.28 3.64 -1.63 0.44 116.57 121.31 2jm5 h LYS 17 Ca 0.30 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2jm5 h LYS 17 Cb 0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2jm5 h LYS 17 CO -0.05 0.88 -0.01 1.25 -2.27 0.00 0.00 179.45 179.25 2jm5 h LEU 18 N 0.67 -0.01 -0.72 5.20 5.85 -0.92 -2.87 115.31 122.51 2jm5 h LEU 18 Ca 0.13 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 2jm5 h LEU 18 Cb 0.51 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2jm5 h LEU 18 CO 0.03 0.05 -0.51 0.25 -0.34 0.00 0.00 178.44 177.92 2jm5 h LEU 19 N -0.08 0.00 0.00 2.25 5.85 -0.35 -2.33 115.31 120.66 2jm5 h LEU 19 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jm5 h LEU 19 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2jm5 h LEU 19 CO 0.00 0.51 -0.38 0.77 -0.34 0.00 0.00 178.44 179.00 2jm5 h SER 20 N 0.00 0.00 -3.40 1.25 4.64 -0.90 -3.39 113.55 111.74 2jm5 h SER 20 Ca -0.01 -0.11 -0.55 0.00 -0.47 0.00 0.00 61.79 60.65 2jm5 h SER 20 Cb 1.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 2jm5 h SER 20 CO 0.07 0.06 0.16 -2.28 -0.87 0.00 0.00 176.83 173.96 2jm5 s HIS 21 N -3.16 3.67 0.13 4.77 5.04 -1.01 -4.95 115.29 119.79 2jm5 s HIS 21 Ca 0.07 1.43 -0.20 0.00 -1.54 0.00 0.00 55.06 54.82 2jm5 s HIS 21 Cb 0.12 -2.85 -0.02 0.00 0.04 0.00 0.00 32.58 29.87 2jm5 s HIS 21 CO 0.68 0.17 1.70 0.00 -2.34 0.00 0.00 174.74 174.94 2jm5 h ARG 22 N 6.20 -0.03 0.00 2.88 -0.00 -1.87 0.25 114.38 121.81 2jm5 h ARG 22 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.06 2jm5 h ARG 22 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.18 2jm5 h ARG 22 CO 0.73 -0.02 0.00 0.22 0.00 0.00 0.00 179.97 180.90 2jm5 h ASP 23 N -0.03 0.00 0.12 7.04 3.58 -1.93 -2.02 116.42 123.19 2jm5 h ASP 23 Ca 0.10 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.26 2jm5 h ASP 23 Cb 0.19 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 2jm5 h ASP 23 CO -0.23 0.00 -1.53 1.23 -2.88 0.00 0.00 179.24 175.84 2jm5 h GLY 24 N 2.75 0.30 1.80 -0.78 0.00 -1.31 -0.31 103.07 105.52 2jm5 h GLY 24 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 2jm5 h GLY 24 CO 0.00 0.67 0.06 -2.00 0.00 0.00 0.00 176.54 175.26 2jm5 h LEU 25 N -0.23 0.24 -0.28 3.11 6.46 -0.04 0.31 115.31 124.87 2jm5 h LEU 25 Ca -0.33 -0.02 -0.20 0.00 -0.12 0.00 0.00 57.88 57.21 2jm5 h LEU 25 Cb 1.83 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.69 2jm5 h LEU 25 CO 0.07 0.24 -0.85 -0.08 -0.62 0.00 0.00 178.44 177.20 2jm5 h GLU 26 N 0.27 0.36 -0.14 1.25 4.57 -1.37 0.76 114.58 120.27 2jm5 h GLU 26 Ca 0.07 -0.35 -0.09 0.00 -1.18 0.00 0.00 59.36 57.80 2jm5 h GLU 26 Cb 0.09 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2jm5 h GLU 26 CO -0.00 1.02 -0.28 0.00 -1.18 0.00 0.00 179.01 178.56 2jm5 h ALA 27 N 0.86 0.22 -0.69 2.92 0.00 0.18 -2.42 119.26 120.34 2jm5 h ALA 27 Ca -0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2jm5 h ALA 27 Cb 1.46 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2jm5 h ALA 27 CO 0.14 0.23 0.13 0.35 0.00 0.00 0.00 179.25 180.11 2jm5 h PHE 28 N 0.05 1.19 0.00 0.00 3.57 -0.45 -1.74 116.94 119.57 2jm5 h PHE 28 Ca 0.00 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.29 2jm5 h PHE 28 Cb 0.87 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2jm5 h PHE 28 CO 0.10 0.99 -0.26 0.00 -2.23 0.00 0.00 178.31 176.91 2jm5 h THR 29 N 1.06 1.11 -0.32 4.41 1.03 -0.83 0.32 112.91 119.69 2jm5 h THR 29 Ca 0.21 -0.90 0.03 0.00 -0.01 0.00 0.00 66.41 65.75 2jm5 h THR 29 Cb 0.42 1.49 -0.03 0.00 -1.07 0.00 0.00 68.15 68.96 2jm5 h THR 29 CO 0.01 0.25 0.12 0.03 -0.01 0.00 0.00 175.52 175.92 2jm5 h ARG 30 N 0.00 0.26 -0.33 0.00 2.47 -0.80 0.37 114.38 116.35 2jm5 h ARG 30 Ca -0.00 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.55 2jm5 h ARG 30 Cb 0.47 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2jm5 h ARG 30 CO 0.03 0.17 -0.40 0.35 0.56 0.00 0.00 179.97 180.68 2jm5 h PHE 31 N 0.27 0.97 -0.22 3.04 3.57 -1.07 -0.76 116.94 122.74 2jm5 h PHE 31 Ca 0.14 -0.29 -0.08 0.00 3.53 0.00 0.00 57.97 61.27 2jm5 h PHE 31 Cb 0.10 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2jm5 h PHE 31 CO -0.13 1.08 -0.22 1.25 -2.23 0.00 0.00 178.31 178.05 2jm5 h LEU 32 N 0.66 0.39 -0.45 0.59 5.85 0.09 -1.29 115.31 121.15 2jm5 h LEU 32 Ca 0.05 -0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 2jm5 h LEU 32 Cb 0.97 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2jm5 h LEU 32 CO 0.09 0.62 -0.73 0.11 -0.34 0.00 0.00 178.44 178.20 2jm5 h LYS 33 N 0.36 0.31 0.00 1.25 1.57 -0.05 0.21 116.57 120.22 2jm5 h LYS 33 Ca 0.06 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 2jm5 h LYS 33 Cb 0.59 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2jm5 h LYS 33 CO 0.04 0.91 -0.21 0.00 -0.57 0.00 0.00 179.45 179.62 2jm5 h THR 34 N 0.21 0.45 -0.02 -0.16 1.03 -0.40 -1.50 112.91 112.51 2jm5 h THR 34 Ca -0.03 -1.23 0.00 0.00 -0.01 0.00 0.00 66.41 65.14 2jm5 h THR 34 Cb 1.29 1.90 0.00 0.00 -1.07 0.00 0.00 68.15 70.27 2jm5 h THR 34 CO 0.12 0.21 0.00 -1.84 -0.01 0.00 0.00 175.52 173.99 2jm5 n GLU 35 N -3.27 1.91 -3.44 0.00 0.28 -0.56 -4.96 120.64 110.60 2jm5 n GLU 35 Ca 0.01 -1.32 -0.19 0.00 -0.16 0.00 0.00 57.16 55.49 2jm5 n GLU 35 Cb 0.49 -1.47 0.08 0.00 1.43 0.00 0.00 31.44 31.97 2jm5 n GLU 35 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2jm5 n PHE 36 N 0.61 -2.40 -2.29 -1.84 3.72 -0.56 -4.93 117.46 109.76 2jm5 n PHE 36 Ca 0.17 0.92 0.03 0.00 -0.05 0.00 0.00 57.45 58.52 2jm5 n PHE 36 Cb 0.44 -4.87 0.07 0.00 -0.94 0.00 0.00 39.48 34.19 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jm5 n SER 37 N -2.88 1.42 0.24 4.37 7.64 0.70 -4.88 113.62 120.22 2jm5 n SER 37 Ca -0.13 -2.56 0.16 0.00 1.01 0.00 0.00 58.87 57.36 2jm5 n SER 37 Cb 0.61 -0.38 0.74 0.00 -1.01 0.00 0.00 64.21 64.17 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 1.23 0.00 0.00 1.43 4.11 -1.85 -2.42 114.58 117.09 2jm5 h GLU 38 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2jm5 h GLU 38 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2jm5 h GLU 38 CO 0.11 0.00 0.00 -0.85 0.07 0.00 0.00 179.01 178.34 2jm5 n GLU 39 N -2.73 0.90 0.08 1.06 0.00 -1.26 -2.27 120.64 116.41 2jm5 n GLU 39 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.94 2jm5 n GLU 39 Cb 0.19 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 29.98 2jm5 n GLU 39 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2jm5 h ASN 40 N 0.00 0.61 -0.03 -1.84 2.35 -1.85 0.21 115.58 115.02 2jm5 h ASN 40 Ca 0.00 -0.93 -0.11 0.00 -0.55 0.00 0.00 56.30 54.71 2jm5 h ASN 40 Cb 0.02 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2jm5 h ASN 40 CO 0.00 1.57 -0.33 -0.29 -1.65 0.00 0.00 177.43 176.73 2jm5 h ILE 41 N -0.14 1.29 -0.00 2.81 2.10 -1.68 -1.34 117.51 120.54 2jm5 h ILE 41 Ca -0.22 -1.43 0.00 0.00 1.08 0.00 0.00 64.86 64.29 2jm5 h ILE 41 Cb 1.88 1.46 0.00 0.00 -1.09 0.00 0.00 36.82 39.07 2jm5 h ILE 41 CO 0.19 0.45 -0.06 -0.62 -1.08 0.00 0.00 178.15 177.03 2jm5 n GLU 42 N -4.07 0.84 0.22 2.19 1.02 -0.96 -0.77 120.64 119.11 2jm5 n GLU 42 Ca -0.01 -0.24 -0.13 0.00 -0.02 0.00 0.00 57.16 56.77 2jm5 n GLU 42 Cb 0.46 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 2jm5 n GLU 42 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2jm5 h PHE 43 N 0.57 -0.56 0.00 -0.32 3.04 0.62 -1.09 116.94 119.20 2jm5 h PHE 43 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2jm5 h PHE 43 Cb 0.28 0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.98 2jm5 h PHE 43 CO 0.00 -0.24 -0.36 0.11 -2.02 0.00 0.00 178.31 175.81 2jm5 h TRP 44 N -0.99 0.00 0.00 0.41 5.08 -1.49 -2.53 115.95 116.43 2jm5 h TRP 44 Ca -0.06 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.84 2jm5 h TRP 44 Cb 0.57 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.72 2jm5 h TRP 44 CO 0.02 0.00 -0.34 0.82 -1.28 0.00 0.00 178.44 177.65 2jm5 h ILE 45 N 0.00 1.17 -0.53 0.12 2.04 -1.04 0.04 117.51 119.30 2jm5 h ILE 45 Ca 0.00 -1.21 -0.11 0.00 1.00 0.00 0.00 64.86 64.54 2jm5 h ILE 45 Cb 0.99 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 2jm5 h ILE 45 CO 0.00 0.34 -0.08 0.00 0.00 0.00 0.00 178.15 178.40 2jm5 h ALA 46 N 1.66 0.73 -0.28 1.87 0.00 -0.94 0.98 119.26 123.27 2jm5 h ALA 46 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2jm5 h ALA 46 Cb 0.64 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2jm5 h ALA 46 CO 0.04 0.62 0.05 0.00 0.00 0.00 0.00 179.25 179.97 2jm5 h GLU 48 N 0.40 0.58 -0.27 0.00 4.39 -0.67 0.20 114.58 119.21 2jm5 h GLU 48 Ca 0.10 -0.53 -0.05 0.00 0.34 0.00 0.00 59.36 59.21 2jm5 h GLU 48 Cb 0.18 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2jm5 h GLU 48 CO -0.00 1.15 -0.06 0.22 -1.16 0.00 0.00 179.01 179.17 2jm5 h ASP 49 N 0.37 0.40 0.31 1.42 3.58 0.17 -1.80 116.42 120.87 2jm5 h ASP 49 Ca -0.07 -0.08 -0.23 0.00 0.42 0.00 0.00 57.03 57.07 2jm5 h ASP 49 Cb 1.47 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 42.42 2jm5 h ASP 49 CO 0.16 0.51 -0.98 0.15 -2.88 0.00 0.00 179.24 176.20 2jm5 h PHE 50 N 0.41 0.66 -0.06 0.28 3.57 -0.12 -2.91 116.94 118.77 2jm5 h PHE 50 Ca 0.09 -0.37 0.02 0.00 3.53 0.00 0.00 57.97 61.24 2jm5 h PHE 50 Cb 0.36 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2jm5 h PHE 50 CO 0.01 1.19 0.07 -0.22 -2.23 0.00 0.00 178.31 177.13 2jm5 h LYS 51 N 0.24 0.00 0.00 1.11 3.64 0.19 -0.96 116.57 120.79 2jm5 h LYS 51 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2jm5 h LYS 51 Cb 1.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 2jm5 h LYS 51 CO 0.17 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.98 2jm5 n LYS 52 N -3.82 0.09 -1.85 1.90 5.02 -0.76 -4.81 118.16 113.94 2jm5 n LYS 52 Ca -0.01 0.32 -0.42 0.00 -2.02 0.00 0.00 58.31 56.17 2jm5 n LYS 52 Cb 0.17 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 2jm5 n LYS 52 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jm5 s SER 53 N -3.60 6.54 0.00 4.39 0.01 -0.37 -4.88 113.70 115.80 2jm5 s SER 53 Ca 0.06 2.58 0.28 0.00 1.31 0.00 0.00 55.95 60.19 2jm5 s SER 53 Cb 0.10 -2.56 1.08 0.00 0.21 0.00 0.00 66.02 64.85 2jm5 s SER 53 CO 0.34 -0.93 1.76 2.29 0.41 0.00 0.00 173.24 177.11 2jm5 n LYS 54 N 5.63 1.28 -3.80 12.44 -0.00 -1.26 -4.90 118.16 127.55 2jm5 n LYS 54 Ca 0.17 -0.67 -0.12 0.00 -0.00 0.00 0.00 58.31 57.68 2jm5 n LYS 54 Cb 0.40 -1.49 -0.10 0.00 -0.00 0.00 0.00 35.03 33.84 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 -2.18 -0.11 0.49 2.58 0.00 -1.26 -5.04 107.32 101.80 2jm5 s GLY 55 Ca 0.35 0.36 0.20 0.00 0.00 0.00 0.00 44.72 45.62 2jm5 s GLY 55 CO 0.40 0.21 2.06 -0.56 0.00 0.00 0.00 173.10 175.21 2jm5 h PRO 56 N 4.75 0.00 -0.35 2.90 0.13 -1.99 -2.34 132.00 135.11 2jm5 h PRO 56 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 2jm5 h PRO 56 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2jm5 h PRO 56 CO 0.38 0.13 -0.07 1.96 -0.23 0.00 0.00 178.00 180.17 2jm5 h GLN 57 N 0.00 0.66 -0.22 0.86 7.50 -1.99 -2.68 115.11 119.24 2jm5 h GLN 57 Ca -0.00 -0.25 -0.05 0.00 0.50 0.00 0.00 58.65 58.85 2jm5 h GLN 57 Cb 0.26 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.73 2jm5 h GLN 57 CO 0.02 0.82 -0.10 0.37 -1.50 0.00 0.00 178.83 178.43 2jm5 h GLN 58 N 0.45 0.35 -0.15 1.46 5.75 -1.86 -2.81 115.11 118.30 2jm5 h GLN 58 Ca 0.09 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2jm5 h GLN 58 Cb 0.56 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 2jm5 h GLN 58 CO 0.03 0.46 -0.09 0.82 -2.65 0.00 0.00 178.83 177.40 2jm5 h ILE 59 N 0.33 0.73 -0.02 2.39 1.08 -1.10 -1.63 117.51 119.30 2jm5 h ILE 59 Ca 0.07 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.57 2jm5 h ILE 59 Cb 0.38 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 2jm5 h ILE 59 CO 0.02 0.00 -0.18 0.45 -0.69 0.00 0.00 178.15 177.75 2jm5 h HIS 60 N -0.08 -0.46 -0.16 1.37 3.86 -1.37 0.17 115.15 118.48 2jm5 h HIS 60 Ca 0.09 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.16 2jm5 h HIS 60 Cb 0.21 0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2jm5 h HIS 60 CO -0.22 -0.26 -0.57 1.37 0.86 0.00 0.00 177.93 179.11 2jm5 h LEU 61 N -0.28 0.55 -0.38 2.43 8.10 -1.58 0.46 115.31 124.60 2jm5 h LEU 61 Ca 0.06 -0.30 -0.18 0.00 0.11 0.00 0.00 57.88 57.58 2jm5 h LEU 61 Cb 0.36 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.41 2jm5 h LEU 61 CO -0.18 1.00 -0.81 0.11 -4.11 0.00 0.00 178.44 174.44 2jm5 h LYS 62 N 0.37 0.09 -0.21 0.17 1.57 -1.09 -1.42 116.57 116.05 2jm5 h LYS 62 Ca 0.00 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 2jm5 h LYS 62 Cb 1.10 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2jm5 h LYS 62 CO 0.10 0.85 -0.04 0.00 -0.57 0.00 0.00 179.45 179.79 2jm5 h ALA 63 N 1.12 0.29 -0.75 3.86 0.00 -0.43 -2.15 119.26 121.19 2jm5 h ALA 63 Ca -0.02 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.77 2jm5 h ALA 63 Cb 1.42 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 2jm5 h ALA 63 CO 0.11 0.07 0.34 0.87 0.00 0.00 0.00 179.25 180.64 2jm5 h LYS 64 N 0.14 0.50 0.26 0.00 1.79 -0.84 0.24 116.57 118.65 2jm5 h LYS 64 Ca 0.06 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2jm5 h LYS 64 Cb 0.49 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 2jm5 h LYS 64 CO 0.02 0.33 -0.21 0.00 -1.08 0.00 0.00 179.45 178.51 2jm5 h ALA 65 N 1.51 -0.46 -0.31 3.86 0.00 -1.03 0.18 119.26 123.02 2jm5 h ALA 65 Ca 0.40 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2jm5 h ALA 65 Cb 0.56 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jm5 h ALA 65 CO -0.36 -0.78 -0.25 0.82 0.00 0.00 0.00 179.25 178.68 2jm5 h ILE 66 N -0.48 1.27 0.87 0.00 2.04 -0.93 -1.56 117.51 118.72 2jm5 h ILE 66 Ca -0.01 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.47 2jm5 h ILE 66 Cb 0.42 1.31 0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2jm5 h ILE 66 CO -0.02 0.43 -0.45 0.22 0.00 0.00 0.00 178.15 178.34 2jm5 h TYR 67 N 0.54 -1.16 0.00 1.37 3.20 -0.24 -0.35 116.97 120.33 2jm5 h TYR 67 Ca 0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jm5 h TYR 67 Cb 0.72 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2jm5 h TYR 67 CO 0.03 -0.70 0.00 0.39 -1.64 0.00 0.00 178.16 176.24 2jm5 n GLU 68 N -5.61 0.08 0.01 1.82 1.02 0.61 -0.44 120.64 118.13 2jm5 n GLU 68 Ca -0.16 0.15 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 2jm5 n GLU 68 Cb 0.48 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 30.16 2jm5 n GLU 68 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jm5 n LYS 69 N -1.76 0.62 0.05 3.49 4.81 -0.59 -4.39 118.16 120.39 2jm5 n LYS 69 Ca 0.05 -0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2jm5 n LYS 69 Cb 0.32 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.79 2jm5 n LYS 69 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2jm5 n PHE 70 N -2.30 -0.86 0.25 5.64 3.72 -0.16 -2.93 117.46 120.84 2jm5 n PHE 70 Ca -0.03 0.15 0.11 0.00 -0.05 0.00 0.00 57.45 57.63 2jm5 n PHE 70 Cb 0.55 0.51 0.68 0.00 -0.94 0.00 0.00 39.48 40.28 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 0.68 -2.42 4.37 1.08 -0.63 -3.30 117.51 117.30 2jm5 h ILE 71 Ca 0.00 -0.56 -0.56 0.00 -0.39 0.00 0.00 64.86 63.36 2jm5 h ILE 71 Cb 0.03 1.35 0.05 0.00 -3.07 0.00 0.00 36.82 35.18 2jm5 h ILE 71 CO 0.00 0.13 0.93 1.67 -0.69 0.00 0.00 178.15 180.19 2jm5 n GLN 72 N -3.77 2.46 -0.27 2.37 0.00 0.41 -4.87 117.38 113.71 2jm5 n GLN 72 Ca -0.02 0.89 0.07 0.00 -0.00 0.00 0.00 57.00 57.94 2jm5 n GLN 72 Cb 0.24 -2.71 0.20 0.00 0.00 0.00 0.00 30.24 27.98 2jm5 n GLN 72 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2jm5 h THR 73 N 3.92 0.39 0.00 1.69 2.02 -1.91 -3.14 112.91 115.87 2jm5 h THR 73 Ca -0.45 -0.06 -0.40 0.00 0.77 0.00 0.00 66.41 66.27 2jm5 h THR 73 Cb 1.23 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.77 2jm5 h THR 73 CO 0.92 0.03 -2.28 0.47 0.37 0.00 0.00 175.52 175.04 2jm5 n ASP 74 N -5.25 1.95 -1.09 4.18 8.00 -1.26 -4.67 116.55 118.41 2jm5 n ASP 74 Ca 0.16 0.35 0.14 0.00 0.71 0.00 0.00 54.79 56.15 2jm5 n ASP 74 Cb 0.53 -0.82 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 2jm5 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jm5 n ALA 75 N -4.21 -3.31 0.21 2.24 0.00 -1.19 -2.60 120.51 111.66 2jm5 n ALA 75 Ca -0.48 0.36 0.10 0.00 0.00 0.00 0.00 53.44 53.41 2jm5 n ALA 75 Cb 0.83 -1.11 0.36 0.00 0.00 0.00 0.00 19.45 19.53 2jm5 n ALA 75 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jm5 h PRO 76 N -1.03 0.00 -2.31 0.00 0.13 -1.77 -3.40 132.00 123.62 2jm5 h PRO 76 Ca 0.01 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.65 2jm5 h PRO 76 Cb 1.25 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.03 2jm5 h PRO 76 CO 0.01 0.22 -0.78 0.15 -0.23 0.00 0.00 178.00 177.37 2jm5 s LYS 77 N -3.45 0.57 0.46 0.86 -0.14 -1.15 -5.11 119.74 111.79 2jm5 s LYS 77 Ca 0.02 -1.10 -0.24 0.00 -1.36 0.00 0.00 55.97 53.29 2jm5 s LYS 77 Cb 0.09 -1.04 -0.07 0.00 -1.68 0.00 0.00 37.83 35.12 2jm5 s LYS 77 CO 0.65 -1.20 1.32 -1.83 -0.76 0.00 0.00 175.35 173.53 2jm5 s GLU 78 N 1.26 3.65 0.07 1.68 1.03 -1.07 -4.16 118.70 121.16 2jm5 s GLU 78 Ca 0.17 2.16 0.04 0.00 0.03 0.00 0.00 54.97 57.38 2jm5 s GLU 78 Cb -0.19 -2.54 -0.04 0.00 -0.80 0.00 0.00 34.13 30.56 2jm5 s GLU 78 CO -0.02 -0.76 -0.01 0.08 -1.33 0.00 0.00 175.26 173.22 2jm5 s VAL 79 N -1.31 3.97 -0.05 1.83 1.01 -1.24 -4.98 120.40 119.62 2jm5 s VAL 79 Ca 0.63 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2jm5 s VAL 79 Cb -0.38 -2.86 0.07 0.00 0.00 0.00 0.00 36.38 33.21 2jm5 s VAL 79 CO 0.47 0.17 1.22 0.59 0.00 0.00 0.00 175.10 177.55 2jm5 n ASN 80 N 0.74 3.40 -4.77 3.32 3.02 -1.26 -4.89 115.26 114.83 2jm5 n ASN 80 Ca -0.12 -2.23 -0.39 0.00 -0.03 0.00 0.00 54.58 51.81 2jm5 n ASN 80 Cb 0.52 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.39 4.40 1.22 3.41 2.96 -1.26 -5.00 118.68 124.03 2jm5 s LEU 81 Ca 0.07 2.33 -0.18 0.00 -0.22 0.00 0.00 54.13 56.12 2jm5 s LEU 81 Cb 0.06 -3.79 0.29 0.00 0.50 0.00 0.00 46.19 43.25 2jm5 s LEU 81 CO 0.01 -0.37 1.06 1.51 -1.32 0.00 0.00 176.35 177.24 2jm5 s ASP 82 N -0.96 0.70 0.10 3.68 -4.77 -1.26 -4.95 116.67 109.22 2jm5 s ASP 82 Ca 0.50 0.86 0.18 0.00 -3.30 0.00 0.00 52.55 50.78 2jm5 s ASP 82 Cb -0.32 -1.26 -0.09 0.00 -1.09 0.00 0.00 42.92 40.16 2jm5 s ASP 82 CO 0.41 -4.29 0.91 0.15 0.70 0.00 0.00 175.17 173.05 2jm5 h PHE 83 N -2.69 0.00 0.11 2.11 3.57 -1.99 -3.21 116.94 114.84 2jm5 h PHE 83 Ca -0.48 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.72 2jm5 h PHE 83 Cb 1.32 0.00 0.03 0.00 2.79 0.00 0.00 35.95 40.08 2jm5 h PHE 83 CO -1.75 0.44 -1.23 1.25 -2.23 0.00 0.00 178.31 174.80 2jm5 h HIS 84 N 0.00 1.02 -0.09 0.41 2.76 -1.99 -1.62 115.15 115.65 2jm5 h HIS 84 Ca -0.12 -0.63 -0.00 0.00 -2.20 0.00 0.00 60.37 57.41 2jm5 h HIS 84 Cb 1.44 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 30.31 2jm5 h HIS 84 CO 0.00 1.47 0.04 1.15 -1.30 0.00 0.00 177.93 179.29 2jm5 h THR 85 N 0.29 1.13 -0.23 6.26 2.02 -1.96 -2.11 112.91 118.31 2jm5 h THR 85 Ca -0.18 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 2jm5 h THR 85 Cb 1.90 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.51 2jm5 h THR 85 CO 0.24 0.11 0.05 0.07 0.37 0.00 0.00 175.52 176.36 2jm5 h LYS 86 N 0.01 0.32 0.14 6.66 2.10 -1.60 -0.48 116.57 123.72 2jm5 h LYS 86 Ca 0.03 -0.04 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 2jm5 h LYS 86 Cb 0.15 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 2jm5 h LYS 86 CO -0.00 0.31 -0.18 1.49 -2.00 0.00 0.00 179.45 179.07 2jm5 h GLU 87 N 0.32 -0.35 -0.22 0.07 4.57 -0.93 0.28 114.58 118.32 2jm5 h GLU 87 Ca 0.08 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 2jm5 h GLU 87 Cb 0.14 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2jm5 h GLU 87 CO -0.00 -0.24 -0.17 0.28 -1.18 0.00 0.00 179.01 177.70 2jm5 h VAL 88 N -0.37 1.23 -0.25 0.32 2.07 -0.70 -1.83 116.25 116.72 2jm5 h VAL 88 Ca 0.01 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2jm5 h VAL 88 Cb 0.36 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2jm5 h VAL 88 CO -0.07 0.33 0.12 0.40 0.02 0.00 0.00 177.57 178.36 2jm5 h ILE 89 N 0.35 1.15 0.00 4.57 2.04 -0.53 0.10 117.51 125.19 2jm5 h ILE 89 Ca 0.06 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2jm5 h ILE 89 Cb 0.51 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2jm5 h ILE 89 CO 0.03 0.15 -0.04 0.71 0.00 0.00 0.00 178.15 179.00 2jm5 h THR 90 N 0.27 0.27 0.02 -0.27 1.35 0.34 0.39 112.91 115.28 2jm5 h THR 90 Ca 0.09 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2jm5 h THR 90 Cb 0.13 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2jm5 h THR 90 CO -0.01 0.04 -0.01 0.78 -0.25 0.00 0.00 175.52 176.07 2jm5 h ASN 91 N 0.00 -0.02 -0.30 5.36 -0.26 -0.81 -3.35 115.58 116.20 2jm5 h ASN 91 Ca -0.00 -0.71 0.00 0.00 -0.56 0.00 0.00 56.30 55.03 2jm5 h ASN 91 Cb 0.19 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2jm5 h ASN 91 CO 0.01 0.80 0.00 -1.20 -1.06 0.00 0.00 177.43 175.98 2jm5 n SER 92 N -4.69 2.95 -0.01 5.81 7.64 -0.03 -3.75 113.62 121.54 2jm5 n SER 92 Ca -0.08 -2.34 -0.00 0.00 1.01 0.00 0.00 58.87 57.46 2jm5 n SER 92 Cb 0.35 -0.50 -0.12 0.00 -1.01 0.00 0.00 64.21 62.93 2jm5 n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jm5 n ILE 93 N 0.36 0.99 0.19 0.44 0.13 0.13 -2.51 119.36 119.10 2jm5 n ILE 93 Ca 0.13 -0.70 0.05 0.00 -1.10 0.00 0.00 62.75 61.13 2jm5 n ILE 93 Cb 0.61 -0.51 0.37 0.00 -0.84 0.00 0.00 39.64 39.27 2jm5 n ILE 93 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2jm5 h THR 94 N 0.00 1.00 -2.22 9.51 1.03 -1.78 -3.32 112.91 117.14 2jm5 h THR 94 Ca -0.23 -1.40 -0.58 0.00 -0.01 0.00 0.00 66.41 64.19 2jm5 h THR 94 Cb 1.64 1.82 -0.39 0.00 -1.07 0.00 0.00 68.15 70.14 2jm5 h THR 94 CO 0.03 0.36 -1.00 0.00 -0.01 0.00 0.00 175.52 174.90 2jm5 n GLN 95 N -3.72 0.62 -2.71 0.00 6.02 -1.25 -5.05 117.38 111.30 2jm5 n GLN 95 Ca -0.01 -3.33 -0.31 0.00 -0.01 0.00 0.00 57.00 53.34 2jm5 n GLN 95 Cb 0.46 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 2jm5 n GLN 95 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2jm5 s PRO 96 N -0.71 3.79 0.35 -1.09 0.04 -1.04 -4.81 135.00 131.52 2jm5 s PRO 96 Ca 0.34 0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.95 2jm5 s PRO 96 Cb 0.10 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.33 2jm5 s PRO 96 CO -0.15 -0.12 0.06 2.41 0.04 0.00 0.00 177.00 179.25 2jm5 n THR 97 N -1.47 0.00 -0.31 1.26 -1.04 -1.26 -4.81 114.28 106.64 2jm5 n THR 97 Ca 0.03 -1.60 0.22 0.00 -2.04 0.00 0.00 64.05 60.67 2jm5 n THR 97 Cb 0.54 0.21 0.51 0.00 -1.82 0.00 0.00 70.33 69.77 2jm5 n THR 97 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2jm5 h LEU 98 N 0.00 0.43 -6.23 -4.42 4.07 -1.95 -2.53 115.31 104.69 2jm5 h LEU 98 Ca -0.28 0.08 -0.59 0.00 0.08 0.00 0.00 57.88 57.17 2jm5 h LEU 98 Cb 0.87 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.20 2jm5 h LEU 98 CO 0.45 0.10 -0.78 1.41 -1.08 0.00 0.00 178.44 178.54 2jm5 n HIS 99 N -4.60 2.00 0.24 1.13 8.25 -1.26 -4.13 115.22 116.85 2jm5 n HIS 99 Ca 0.24 -3.92 0.11 0.00 -0.26 0.00 0.00 57.72 53.89 2jm5 n HIS 99 Cb 0.86 -0.44 0.60 0.00 1.12 0.00 0.00 29.99 32.13 2jm5 n HIS 99 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jm5 h SER 100 N 4.34 0.00 -0.58 0.41 0.87 -1.79 -2.07 113.55 114.72 2jm5 h SER 100 Ca 0.16 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 2jm5 h SER 100 Cb 0.76 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.65 2jm5 h SER 100 CO 0.67 0.18 0.15 0.49 -0.53 0.00 0.00 176.83 177.79 2jm5 n PHE 101 N -3.56 1.98 -0.26 2.24 3.72 -1.26 -4.67 117.46 115.66 2jm5 n PHE 101 Ca -0.01 -0.89 -0.04 0.00 -0.05 0.00 0.00 57.45 56.47 2jm5 n PHE 101 Cb 0.32 -0.55 0.02 0.00 -0.94 0.00 0.00 39.48 38.33 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 2.66 -1.21 1.13 4.37 3.58 -1.75 0.48 116.42 125.67 2jm5 h ASP 102 Ca 0.15 0.25 -0.17 0.00 0.42 0.00 0.00 57.03 57.68 2jm5 h ASP 102 Cb 1.97 0.62 -0.02 0.00 1.72 0.00 0.00 39.33 43.62 2jm5 h ASP 102 CO 0.56 -0.30 -0.82 0.00 -2.88 0.00 0.00 179.24 175.80 2jm5 h ALA 103 N 1.14 0.49 -0.13 -0.78 0.00 -1.86 -3.17 119.26 114.95 2jm5 h ALA 103 Ca 0.27 -0.75 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 2jm5 h ALA 103 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jm5 h ALA 103 CO -0.77 1.02 -0.43 0.00 0.00 0.00 0.00 179.25 179.07 2jm5 h ALA 104 N 1.18 1.03 -0.19 0.00 0.00 -1.52 -0.54 119.26 119.22 2jm5 h ALA 104 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2jm5 h ALA 104 Cb 1.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2jm5 h ALA 104 CO 0.11 0.62 0.11 1.96 0.00 0.00 0.00 179.25 182.04 2jm5 h GLN 105 N 0.25 0.22 -0.87 0.00 4.20 -0.94 -0.85 115.11 117.12 2jm5 h GLN 105 Ca 0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2jm5 h GLN 105 Cb 0.87 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 2jm5 h GLN 105 CO 0.07 0.15 0.46 0.77 -0.67 0.00 0.00 178.83 179.60 2jm5 h SER 106 N 0.23 1.10 0.07 1.46 0.02 -1.51 0.20 113.55 115.12 2jm5 h SER 106 Ca 0.08 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2jm5 h SER 106 Cb -0.00 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 2jm5 h SER 106 CO -0.04 0.89 -0.12 0.03 -1.14 0.00 0.00 176.83 176.46 2jm5 h ARG 107 N 1.22 -0.23 -0.47 3.45 2.47 -0.68 -0.20 114.38 119.93 2jm5 h ARG 107 Ca 0.30 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.00 2jm5 h ARG 107 Cb 0.05 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 2jm5 h ARG 107 CO -0.05 -0.15 0.13 0.28 0.56 0.00 0.00 179.97 180.74 2jm5 h VAL 108 N -0.24 1.23 -0.46 2.04 2.07 -0.84 0.79 116.25 120.85 2jm5 h VAL 108 Ca 0.02 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 66.82 2jm5 h VAL 108 Cb 0.25 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 2jm5 h VAL 108 CO -0.06 0.29 0.04 0.22 0.02 0.00 0.00 177.57 178.07 2jm5 h TYR 109 N 0.63 0.04 0.00 1.57 5.03 -0.44 -1.21 116.97 122.59 2jm5 h TYR 109 Ca 0.15 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.37 2jm5 h TYR 109 Cb 0.31 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 2jm5 h TYR 109 CO 0.02 -0.06 -0.57 -0.56 -1.32 0.00 0.00 178.16 175.67 2jm5 h GLN 110 N 0.15 0.00 0.25 1.82 3.07 -0.63 -2.01 115.11 117.76 2jm5 h GLN 110 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.96 2jm5 h GLN 110 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 2jm5 h GLN 110 CO -0.35 0.57 -0.30 -0.07 0.09 0.00 0.00 178.83 178.77 2jm5 h LEU 111 N 0.00 -0.85 -0.13 0.06 3.38 0.32 -1.58 115.31 116.50 2jm5 h LEU 111 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jm5 h LEU 111 Cb 1.07 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2jm5 h LEU 111 CO 0.07 -0.38 0.00 1.15 0.09 0.00 0.00 178.44 179.37 2jm5 n MET 112 N -4.20 0.08 0.19 1.13 0.00 -0.78 -2.00 117.12 111.54 2jm5 n MET 112 Ca -0.07 0.19 -0.08 0.00 0.00 0.00 0.00 57.70 57.75 2jm5 n MET 112 Cb 0.27 -1.62 -0.04 0.00 0.00 0.00 0.00 33.22 31.83 2jm5 n MET 112 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2jm5 h GLU 113 N 0.00 -0.48 -0.40 3.17 4.81 -0.90 0.50 114.58 121.27 2jm5 h GLU 113 Ca 0.00 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 2jm5 h GLU 113 Cb 0.44 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2jm5 h GLU 113 CO 0.00 -0.32 -0.07 -0.56 -0.73 0.00 0.00 179.01 177.33 2jm5 h GLN 114 N -0.65 0.68 0.02 1.92 -0.00 -1.26 -1.89 115.11 113.93 2jm5 h GLN 114 Ca -0.05 -0.20 -0.23 0.00 -0.00 0.00 0.00 58.65 58.17 2jm5 h GLN 114 Cb 0.38 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.48 27.76 2jm5 h GLN 114 CO 0.08 0.75 -1.27 0.22 -0.00 0.00 0.00 178.83 178.61 2jm5 h ASP 115 N 0.63 0.06 0.04 0.06 3.58 -1.53 -3.40 116.42 115.86 2jm5 h ASP 115 Ca 0.12 -0.60 -0.33 0.00 0.42 0.00 0.00 57.03 56.64 2jm5 h ASP 115 Cb 0.50 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 2jm5 h ASP 115 CO 0.03 1.51 -1.81 -0.24 -2.88 0.00 0.00 179.24 175.85 2jm5 n SER 116 N -4.32 1.98 -0.36 2.28 2.88 -0.36 -4.17 113.62 111.55 2jm5 n SER 116 Ca -0.30 0.28 0.04 0.00 -1.33 0.00 0.00 58.87 57.56 2jm5 n SER 116 Cb 0.72 -0.86 0.21 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.53 1.17 -0.50 0.66 3.20 0.79 0.56 116.97 122.32 2jm5 h TYR 117 Ca -0.45 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.42 2jm5 h TYR 117 Cb 1.66 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 2jm5 h TYR 117 CO 0.06 0.56 0.18 1.79 -1.64 0.00 0.00 178.16 179.11 2jm5 h THR 118 N 1.10 1.22 0.00 1.81 1.35 -1.77 0.84 112.91 117.46 2jm5 h THR 118 Ca 0.45 -0.70 -0.14 0.00 -0.55 0.00 0.00 66.41 65.46 2jm5 h THR 118 Cb 0.29 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 2jm5 h THR 118 CO -0.20 0.26 -0.69 0.03 -0.25 0.00 0.00 175.52 174.67 2jm5 h ARG 119 N 0.67 0.00 -0.09 4.72 -0.00 -1.24 -2.48 114.38 115.96 2jm5 h ARG 119 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.64 2jm5 h ARG 119 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.19 2jm5 h ARG 119 CO -0.01 0.69 0.06 0.35 0.00 0.00 0.00 179.97 181.06 2jm5 h PHE 120 N 0.00 0.12 0.00 3.04 3.57 0.44 0.14 116.94 124.26 2jm5 h PHE 120 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jm5 h PHE 120 Cb 1.29 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 2jm5 h PHE 120 CO 0.00 0.10 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.10 2jm5 h LEU 121 N 0.10 0.00 -1.95 0.59 3.38 -0.58 -0.84 115.31 116.01 2jm5 h LEU 121 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jm5 h LEU 121 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jm5 h LEU 121 CO -0.01 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.83 2jm5 n LYS 122 N -4.10 2.33 -1.94 1.13 4.76 -0.95 -4.60 118.16 114.78 2jm5 n LYS 122 Ca -0.03 -1.95 -0.31 0.00 -2.87 0.00 0.00 58.31 53.15 2jm5 n LYS 122 Cb 0.10 -1.47 0.01 0.00 -1.84 0.00 0.00 35.03 31.83 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 -1.92 6.19 0.16 4.39 1.04 0.46 -4.90 113.70 119.12 2jm5 s SER 123 Ca 0.30 1.48 0.18 0.00 0.48 0.00 0.00 55.95 58.40 2jm5 s SER 123 Cb 0.20 -2.48 0.79 0.00 0.10 0.00 0.00 66.02 64.63 2jm5 s SER 123 CO 0.30 -0.89 1.55 0.47 0.98 0.00 0.00 173.24 175.66 2jm5 n ASP 124 N -2.54 0.37 0.34 7.02 8.00 -1.26 -1.38 116.55 127.10 2jm5 n ASP 124 Ca 0.06 0.61 -0.13 0.00 0.71 0.00 0.00 54.79 56.04 2jm5 n ASP 124 Cb 0.54 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 40.90 2jm5 n ASP 124 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2jm5 h ILE 125 N 0.00 0.00 -0.39 0.53 5.03 -1.91 0.15 117.51 120.93 2jm5 h ILE 125 Ca 0.00 -0.04 -0.09 0.00 -0.12 0.00 0.00 64.86 64.61 2jm5 h ILE 125 Cb 0.24 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.02 2jm5 h ILE 125 CO 0.00 0.00 -0.13 0.22 -0.68 0.00 0.00 178.15 177.56 2jm5 h TYR 126 N -0.91 0.76 0.00 1.37 3.20 -1.55 -1.08 116.97 118.77 2jm5 h TYR 126 Ca -0.09 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2jm5 h TYR 126 Cb 0.66 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2jm5 h TYR 126 CO 0.07 0.79 0.00 -0.07 -1.64 0.00 0.00 178.16 177.31 2jm5 h LEU 127 N 0.63 0.00 -0.16 2.82 -0.00 -1.25 -0.27 115.31 117.08 2jm5 h LEU 127 Ca 0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.82 2jm5 h LEU 127 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 2jm5 h LEU 127 CO 0.04 0.00 -0.80 -0.78 -0.00 0.00 0.00 178.44 176.90 2jm5 h ASP 128 N 0.00 0.00 1.32 -0.43 3.58 0.62 0.31 116.42 121.83 2jm5 h ASP 128 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2jm5 h ASP 128 Cb 0.39 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2jm5 h ASP 128 CO 0.00 0.80 -0.48 -0.07 -2.88 0.00 0.00 179.24 176.61 2jm5 h LEU 129 N 0.00 0.00 0.00 2.28 3.38 -0.82 -2.48 115.31 117.67 2jm5 h LEU 129 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jm5 h LEU 129 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2jm5 h LEU 129 CO 0.10 0.48 0.00 0.23 0.09 0.00 0.00 178.44 179.34 2jm5 n MET 130 N -3.29 0.00 -0.01 1.13 2.81 -0.24 -4.39 117.12 113.12 2jm5 n MET 130 Ca 0.01 0.42 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 2jm5 n MET 130 Cb 0.68 -0.92 0.01 0.00 -0.71 0.00 0.00 33.22 32.29 2jm5 n MET 130 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2jm5 n GLU 131 N -1.90 1.89 0.11 0.03 1.02 0.10 -4.58 120.64 117.32 2jm5 n GLU 131 Ca 0.00 -1.27 -0.00 0.00 -0.02 0.00 0.00 57.16 55.87 2jm5 n GLU 131 Cb 0.00 -1.02 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2jm5 h GLY 132 N 0.18 0.00 -7.31 0.62 0.00 -0.88 -3.38 103.07 92.29 2jm5 h GLY 132 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 2jm5 h GLY 132 CO 0.00 0.00 -0.53 0.50 0.00 0.00 0.00 176.54 176.51 2jm5 s ARG 133 N -2.89 2.33 0.00 4.80 1.81 -1.10 -4.99 118.95 118.90 2jm5 s ARG 133 Ca 0.03 -2.90 0.32 0.00 -1.72 0.00 0.00 55.73 51.46 2jm5 s ARG 133 Cb 0.08 -3.47 1.89 0.00 -0.45 0.00 0.00 34.95 33.00 2jm5 s ARG 133 CO 0.77 -1.19 2.22 -2.30 -0.68 0.00 0.00 175.30 174.12