#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 -1.53 -3.80 -1.46 -0.00 -1.26 -4.81 117.12 104.26 2jm5 n MET 2 Ca 0.00 1.01 -0.28 0.00 -0.00 0.00 0.00 57.70 58.43 2jm5 n MET 2 Cb 0.00 -1.87 -0.16 0.00 -0.00 0.00 0.00 33.22 31.19 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 -1.18 0.76 0.67 3.17 0.11 -1.26 -5.05 120.40 117.61 2jm5 s VAL 3 Ca 0.00 -0.61 -0.15 0.00 -2.93 0.00 0.00 61.98 58.30 2jm5 s VAL 3 Cb 0.00 -1.14 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2jm5 s VAL 3 CO 0.00 -0.09 1.10 -0.44 -3.33 0.00 0.00 175.10 172.34 2jm5 s SER 4 N 1.76 5.09 0.54 3.54 0.01 -1.26 -4.75 113.70 118.62 2jm5 s SER 4 Ca -0.01 1.97 0.32 0.00 1.31 0.00 0.00 55.95 59.54 2jm5 s SER 4 Cb -0.17 -2.55 1.49 0.00 0.21 0.00 0.00 66.02 65.01 2jm5 s SER 4 CO -0.07 -1.64 1.88 1.55 0.41 0.00 0.00 173.24 175.37 2jm5 h PRO 5 N -0.07 0.00 0.23 12.44 0.13 -1.83 0.09 132.00 142.99 2jm5 h PRO 5 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2jm5 h PRO 5 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jm5 h PRO 5 CO 0.54 0.00 -0.11 0.93 -0.23 0.00 0.00 178.00 179.13 2jm5 h GLU 6 N 0.00 -0.29 -0.55 0.86 4.39 -1.91 0.35 114.58 117.43 2jm5 h GLU 6 Ca 0.44 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 60.07 2jm5 h GLU 6 Cb 1.75 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.45 2jm5 h GLU 6 CO -0.00 -0.10 0.00 1.49 -1.16 0.00 0.00 179.01 179.24 2jm5 h GLU 7 N -0.43 0.96 0.28 2.33 4.57 -1.59 -2.34 114.58 118.35 2jm5 h GLU 7 Ca -0.03 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 2jm5 h GLU 7 Cb 0.33 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2jm5 h GLU 7 CO 0.05 0.97 -0.13 0.00 -1.18 0.00 0.00 179.01 178.72 2jm5 h ALA 8 N 0.96 -0.37 -0.39 2.92 0.00 -0.84 -1.88 119.26 119.66 2jm5 h ALA 8 Ca 0.16 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2jm5 h ALA 8 Cb 0.53 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2jm5 h ALA 8 CO 0.03 -0.64 0.32 -0.39 0.00 0.00 0.00 179.25 178.56 2jm5 h VAL 9 N -0.50 0.65 0.00 0.00 -1.51 -0.30 -0.93 116.25 113.66 2jm5 h VAL 9 Ca -0.04 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.33 2jm5 h VAL 9 Cb 0.37 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 2jm5 h VAL 9 CO 0.06 0.00 -0.50 0.50 -1.23 0.00 0.00 177.57 176.41 2jm5 h LYS 10 N 0.00 0.00 0.00 5.19 1.63 -0.80 -2.67 116.57 119.92 2jm5 h LYS 10 Ca 0.19 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.87 2jm5 h LYS 10 Cb 0.82 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 2jm5 h LYS 10 CO -0.00 0.50 -0.56 -1.49 -3.45 0.00 0.00 179.45 174.44 2jm5 h TRP 11 N 0.00 0.00 0.00 1.91 6.55 -0.41 -3.17 115.95 120.83 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 1.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 2jm5 h TRP 11 CO 0.00 0.56 0.00 0.78 -1.05 0.00 0.00 178.44 178.73 2jm5 h GLY 12 N 1.79 0.00 -0.90 1.49 0.00 -1.31 -0.50 103.07 103.64 2jm5 h GLY 12 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2jm5 h GLY 12 CO 0.07 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.77 2jm5 n GLU 13 N -2.59 0.85 -3.27 4.80 0.28 -1.20 -4.89 120.64 114.63 2jm5 n GLU 13 Ca -0.00 -1.27 -0.06 0.00 -0.16 0.00 0.00 57.16 55.66 2jm5 n GLU 13 Cb 0.14 -1.21 -0.04 0.00 1.43 0.00 0.00 31.44 31.76 2jm5 n GLU 13 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2jm5 s SER 14 N -0.90 -0.21 0.40 -1.84 0.01 -0.19 -5.00 113.70 105.96 2jm5 s SER 14 Ca 0.14 -0.66 0.09 0.00 1.31 0.00 0.00 55.95 56.82 2jm5 s SER 14 Cb 0.09 1.33 0.87 0.00 0.21 0.00 0.00 66.02 68.53 2jm5 s SER 14 CO 0.13 -0.28 1.99 0.15 0.41 0.00 0.00 173.24 175.64 2jm5 h PHE 15 N 7.61 0.59 -0.20 2.43 3.57 -1.91 -1.11 116.94 127.91 2jm5 h PHE 15 Ca -0.01 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 2jm5 h PHE 15 Cb 1.13 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2jm5 h PHE 15 CO 0.25 0.31 -0.30 0.38 -2.23 0.00 0.00 178.31 176.73 2jm5 h ASP 16 N 0.58 0.41 -0.18 0.41 3.04 -1.95 0.08 116.42 118.82 2jm5 h ASP 16 Ca 0.26 -0.15 -0.03 0.00 -3.24 0.00 0.00 57.03 53.88 2jm5 h ASP 16 Cb 0.29 -0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 38.47 2jm5 h ASP 16 CO -0.08 0.70 -0.01 0.50 -2.04 0.00 0.00 179.24 178.31 2jm5 h LYS 17 N 0.35 0.32 -0.31 4.15 3.64 -1.59 0.45 116.57 123.59 2jm5 h LYS 17 Ca 0.05 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2jm5 h LYS 17 Cb 0.71 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 2jm5 h LYS 17 CO 0.05 0.55 -0.05 1.25 -2.27 0.00 0.00 179.45 178.98 2jm5 h LEU 18 N 0.06 -0.24 -0.54 5.20 5.85 -1.07 -1.97 115.31 122.60 2jm5 h LEU 18 Ca 0.05 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 2jm5 h LEU 18 Cb 0.41 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2jm5 h LEU 18 CO 0.01 -0.08 -0.39 0.25 -0.34 0.00 0.00 178.44 177.89 2jm5 h LEU 19 N 0.03 0.00 -0.64 2.25 5.85 -0.83 -1.76 115.31 120.20 2jm5 h LEU 19 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2jm5 h LEU 19 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2jm5 h LEU 19 CO -0.30 0.39 -0.11 -1.20 -0.34 0.00 0.00 178.44 176.88 2jm5 n SER 20 N -3.35 1.11 -4.63 1.25 7.64 0.14 -4.42 113.62 111.36 2jm5 n SER 20 Ca 0.01 -1.12 -0.35 0.00 1.01 0.00 0.00 58.87 58.42 2jm5 n SER 20 Cb 0.59 0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 63.74 2jm5 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2jm5 s HIS 21 N -2.25 3.26 0.20 1.43 5.04 -0.78 -4.98 115.29 117.20 2jm5 s HIS 21 Ca 0.32 0.07 -0.11 0.00 -1.54 0.00 0.00 55.06 53.81 2jm5 s HIS 21 Cb 0.20 -2.12 0.17 0.00 0.04 0.00 0.00 32.58 30.88 2jm5 s HIS 21 CO 0.43 0.12 1.84 0.00 -2.34 0.00 0.00 174.74 174.78 2jm5 h ARG 22 N 6.89 0.75 -0.31 2.88 3.08 -1.84 0.28 114.38 126.11 2jm5 h ARG 22 Ca -0.37 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2jm5 h ARG 22 Cb 1.17 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2jm5 h ARG 22 CO 0.69 0.50 0.21 -0.44 -1.07 0.00 0.00 179.97 179.86 2jm5 h ASP 23 N 0.78 0.35 0.13 7.04 5.19 -1.94 0.34 116.42 128.31 2jm5 h ASP 23 Ca 0.26 -0.01 -0.25 0.00 -0.62 0.00 0.00 57.03 56.41 2jm5 h ASP 23 Cb 0.03 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.46 2jm5 h ASP 23 CO -0.11 0.25 -1.23 1.23 -3.12 0.00 0.00 179.24 176.26 2jm5 h GLY 24 N 0.42 0.32 0.43 2.75 0.00 -1.24 0.51 103.07 106.26 2jm5 h GLY 24 Ca 0.11 -0.83 0.10 0.00 0.00 0.00 0.00 47.33 46.72 2jm5 h GLY 24 CO -0.02 0.72 0.33 -2.00 0.00 0.00 0.00 176.54 175.57 2jm5 h LEU 25 N -0.29 0.41 -0.60 3.11 6.46 0.37 0.28 115.31 125.06 2jm5 h LEU 25 Ca -0.25 0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.47 2jm5 h LEU 25 Cb 1.75 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.67 2jm5 h LEU 25 CO 0.10 0.23 -0.10 -0.08 -0.62 0.00 0.00 178.44 177.98 2jm5 h GLU 26 N 0.56 1.01 -0.21 1.25 4.57 -0.36 0.35 114.58 121.75 2jm5 h GLU 26 Ca 0.35 -0.36 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2jm5 h GLU 26 Cb 0.40 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2jm5 h GLU 26 CO -0.29 1.04 0.03 0.00 -1.18 0.00 0.00 179.01 178.62 2jm5 h ALA 27 N 0.98 0.28 -0.28 2.92 0.00 0.31 -0.22 119.26 123.25 2jm5 h ALA 27 Ca 0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2jm5 h ALA 27 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jm5 h ALA 27 CO 0.05 -0.04 -0.18 0.35 0.00 0.00 0.00 179.25 179.43 2jm5 h PHE 28 N 0.15 0.71 -0.36 0.00 3.57 -0.34 -2.62 116.94 118.05 2jm5 h PHE 28 Ca 0.06 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.29 2jm5 h PHE 28 Cb 0.33 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2jm5 h PHE 28 CO 0.02 0.88 -0.12 0.00 -2.23 0.00 0.00 178.31 176.86 2jm5 h THR 29 N 0.35 1.25 -0.25 4.41 1.03 -0.24 -0.10 112.91 119.35 2jm5 h THR 29 Ca 0.06 -1.10 -0.10 0.00 -0.01 0.00 0.00 66.41 65.26 2jm5 h THR 29 Cb 0.71 1.10 -0.01 0.00 -1.07 0.00 0.00 68.15 68.88 2jm5 h THR 29 CO 0.05 0.37 -0.26 0.08 -0.01 0.00 0.00 175.52 175.75 2jm5 h ARG 30 N 0.58 0.49 -0.26 0.00 -0.00 -0.91 0.61 114.38 114.88 2jm5 h ARG 30 Ca 0.10 -0.19 -0.02 0.00 -0.00 0.00 0.00 59.98 59.87 2jm5 h ARG 30 Cb 0.54 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.48 2jm5 h ARG 30 CO 0.03 0.71 0.07 0.35 -0.00 0.00 0.00 179.97 181.14 2jm5 h PHE 31 N 0.43 0.42 -0.40 4.08 3.57 -1.08 -0.80 116.94 123.17 2jm5 h PHE 31 Ca 0.06 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 2jm5 h PHE 31 Cb 0.68 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2jm5 h PHE 31 CO 0.02 0.47 -0.33 1.25 -2.23 0.00 0.00 178.31 177.50 2jm5 h LEU 32 N 0.25 0.95 -0.57 0.59 5.85 -0.43 -3.12 115.31 118.83 2jm5 h LEU 32 Ca 0.08 -0.40 -0.14 0.00 0.84 0.00 0.00 57.88 58.26 2jm5 h LEU 32 Cb 0.25 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2jm5 h LEU 32 CO -0.00 1.18 -0.36 0.11 -0.34 0.00 0.00 178.44 179.03 2jm5 h LYS 33 N 0.75 0.74 0.00 1.25 1.57 0.31 0.57 116.57 121.76 2jm5 h LYS 33 Ca 0.08 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2jm5 h LYS 33 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2jm5 h LYS 33 CO 0.08 0.99 -0.07 0.00 -0.57 0.00 0.00 179.45 179.88 2jm5 h THR 34 N 0.62 0.24 -0.54 -0.16 1.03 -1.08 0.12 112.91 113.14 2jm5 h THR 34 Ca 0.06 -0.59 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 2jm5 h THR 34 Cb 0.90 1.47 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 2jm5 h THR 34 CO 0.08 0.07 0.00 -1.84 -0.01 0.00 0.00 175.52 173.82 2jm5 n GLU 35 N -3.27 2.63 -1.37 0.00 0.28 -1.15 -4.96 120.64 112.80 2jm5 n GLU 35 Ca -0.00 -2.38 -0.13 0.00 -0.16 0.00 0.00 57.16 54.49 2jm5 n GLU 35 Cb 0.29 -1.47 -0.06 0.00 1.43 0.00 0.00 31.44 31.64 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 1.30 0.00 -1.06 -1.84 3.01 0.03 -4.87 117.46 114.02 2jm5 n PHE 36 Ca 0.20 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.67 2jm5 n PHE 36 Cb 0.56 -2.45 0.29 0.00 -0.01 0.00 0.00 39.48 37.86 2jm5 n PHE 36 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2jm5 n SER 37 N -0.42 4.29 0.19 4.37 7.64 0.15 -4.51 113.62 125.34 2jm5 n SER 37 Ca -0.13 -3.18 0.13 0.00 1.01 0.00 0.00 58.87 56.71 2jm5 n SER 37 Cb 0.47 -0.64 0.69 0.00 -1.01 0.00 0.00 64.21 63.71 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 2.30 0.00 -1.05 1.43 4.11 -1.75 -3.07 114.58 116.56 2jm5 h GLU 38 Ca 0.12 0.00 0.28 0.00 0.07 0.00 0.00 59.36 59.83 2jm5 h GLU 38 Cb 1.85 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.02 2jm5 h GLU 38 CO 0.46 0.00 0.70 0.93 0.07 0.00 0.00 179.01 181.17 2jm5 h GLU 39 N 0.00 0.26 -0.05 1.06 4.39 -1.89 -0.27 114.58 118.08 2jm5 h GLU 39 Ca 0.00 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 2jm5 h GLU 39 Cb 0.08 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2jm5 h GLU 39 CO 0.00 0.17 -0.58 -0.91 -1.16 0.00 0.00 179.01 176.54 2jm5 h ASN 40 N 0.27 0.60 0.13 1.42 2.35 -1.94 0.12 115.58 118.53 2jm5 h ASN 40 Ca 0.57 -0.70 -0.20 0.00 -0.55 0.00 0.00 56.30 55.42 2jm5 h ASN 40 Cb 1.68 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.87 2jm5 h ASN 40 CO -0.20 1.21 -0.75 -0.29 -1.65 0.00 0.00 177.43 175.75 2jm5 h ILE 41 N 0.04 1.35 0.00 2.81 2.10 -1.48 -1.95 117.51 120.37 2jm5 h ILE 41 Ca -0.06 -2.09 0.00 0.00 1.08 0.00 0.00 64.86 63.79 2jm5 h ILE 41 Cb 1.25 2.08 0.00 0.00 -1.09 0.00 0.00 36.82 39.06 2jm5 h ILE 41 CO 0.12 0.64 0.00 -0.33 -1.08 0.00 0.00 178.15 177.50 2jm5 h GLU 42 N 0.36 0.00 0.52 2.19 3.07 -1.16 -2.54 114.58 117.03 2jm5 h GLU 42 Ca -0.04 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2jm5 h GLU 42 Cb 1.34 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.26 2jm5 h GLU 42 CO 0.14 0.00 -0.25 0.35 -1.40 0.00 0.00 179.01 177.85 2jm5 h PHE 43 N 0.00 -0.65 0.00 4.33 3.57 0.05 -0.15 116.94 124.09 2jm5 h PHE 43 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jm5 h PHE 43 Cb 0.65 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2jm5 h PHE 43 CO 0.00 -0.33 0.00 0.11 -2.23 0.00 0.00 178.31 175.86 2jm5 h TRP 44 N -0.92 0.00 -0.65 0.41 5.08 -1.48 -1.69 115.95 116.71 2jm5 h TRP 44 Ca -0.07 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.87 2jm5 h TRP 44 Cb 0.61 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.74 2jm5 h TRP 44 CO -0.00 0.00 0.30 0.82 -1.28 0.00 0.00 178.44 178.28 2jm5 h ILE 45 N 0.00 1.21 -0.34 0.12 2.04 -1.33 -0.80 117.51 118.41 2jm5 h ILE 45 Ca 0.00 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.14 2jm5 h ILE 45 Cb 0.73 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2jm5 h ILE 45 CO 0.00 0.26 -0.21 0.00 0.00 0.00 0.00 178.15 178.19 2jm5 h ALA 46 N 1.41 1.00 -0.31 1.87 0.00 -0.15 -0.82 119.26 122.26 2jm5 h ALA 46 Ca 0.22 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2jm5 h ALA 46 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2jm5 h ALA 46 CO -0.03 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.75 2jm5 h GLU 48 N 0.48 0.62 -0.32 0.00 4.39 -0.93 -1.26 114.58 117.56 2jm5 h GLU 48 Ca 0.10 -0.82 0.01 0.00 0.34 0.00 0.00 59.36 58.99 2jm5 h GLU 48 Cb 0.42 0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2jm5 h GLU 48 CO 0.02 1.37 0.21 0.22 -1.16 0.00 0.00 179.01 179.67 2jm5 h ASP 49 N 0.28 0.34 -0.09 1.42 3.58 -0.83 -1.53 116.42 119.60 2jm5 h ASP 49 Ca -0.18 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2jm5 h ASP 49 Cb 1.90 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.86 2jm5 h ASP 49 CO 0.23 0.25 0.00 0.15 -2.88 0.00 0.00 179.24 176.99 2jm5 h PHE 50 N 0.40 0.17 0.00 0.28 3.57 -0.49 -3.03 116.94 117.84 2jm5 h PHE 50 Ca 0.12 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2jm5 h PHE 50 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2jm5 h PHE 50 CO -0.00 0.41 0.00 0.36 -2.23 0.00 0.00 178.31 176.85 2jm5 n LYS 51 N -4.83 0.16 0.27 1.11 2.85 -0.49 -1.56 118.16 115.68 2jm5 n LYS 51 Ca -0.06 0.42 0.17 0.00 -1.05 0.00 0.00 58.31 57.78 2jm5 n LYS 51 Cb 0.20 -1.82 0.70 0.00 -0.65 0.00 0.00 35.03 33.45 2jm5 n LYS 51 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2jm5 h LYS 52 N 0.00 0.00 -6.17 -1.58 1.57 -1.27 -3.44 116.57 105.68 2jm5 h LYS 52 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2jm5 h LYS 52 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 2jm5 h LYS 52 CO 0.00 0.04 0.87 -1.12 -0.57 0.00 0.00 179.45 178.67 2jm5 s SER 53 N -5.74 6.97 0.00 0.86 0.01 -0.60 -4.89 113.70 110.30 2jm5 s SER 53 Ca 0.00 1.70 0.23 0.00 1.31 0.00 0.00 55.95 59.19 2jm5 s SER 53 Cb 0.10 -2.54 0.53 0.00 0.21 0.00 0.00 66.02 64.31 2jm5 s SER 53 CO 0.55 -0.73 1.46 2.29 0.41 0.00 0.00 173.24 177.22 2jm5 n LYS 54 N 6.39 2.55 -3.71 12.44 -0.00 -1.26 -4.86 118.16 129.71 2jm5 n LYS 54 Ca 0.13 -2.38 -0.37 0.00 -0.00 0.00 0.00 58.31 55.70 2jm5 n LYS 54 Cb 0.45 -1.53 -0.12 0.00 -0.00 0.00 0.00 35.03 33.83 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 -1.28 1.81 0.42 2.58 0.00 -1.26 -4.98 107.32 104.61 2jm5 s GLY 55 Ca 0.43 -1.12 0.14 0.00 0.00 0.00 0.00 44.72 44.17 2jm5 s GLY 55 CO 0.32 0.57 1.93 -0.56 0.00 0.00 0.00 173.10 175.36 2jm5 h PRO 56 N 8.27 0.00 -0.30 2.90 0.13 -1.99 -0.30 132.00 140.72 2jm5 h PRO 56 Ca -0.37 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.58 2jm5 h PRO 56 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jm5 h PRO 56 CO 0.57 0.25 -0.49 0.37 -0.23 0.00 0.00 178.00 178.47 2jm5 h GLN 57 N 0.00 0.86 -0.42 0.86 -0.00 -1.98 -2.63 115.11 111.81 2jm5 h GLN 57 Ca -0.00 -0.53 -0.01 0.00 -0.00 0.00 0.00 58.65 58.11 2jm5 h GLN 57 Cb 0.45 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.96 2jm5 h GLN 57 CO 0.03 1.16 0.21 0.37 0.00 0.00 0.00 178.83 180.61 2jm5 h GLN 58 N 0.65 0.57 -0.36 1.69 5.75 -1.76 -1.39 115.11 120.26 2jm5 h GLN 58 Ca 0.02 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2jm5 h GLN 58 Cb 1.09 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 2jm5 h GLN 58 CO 0.11 0.44 0.17 0.82 -2.65 0.00 0.00 178.83 177.72 2jm5 h ILE 59 N 0.58 0.96 -0.17 2.39 1.08 -0.72 0.39 117.51 122.02 2jm5 h ILE 59 Ca 0.15 -0.12 0.04 0.00 -0.39 0.00 0.00 64.86 64.54 2jm5 h ILE 59 Cb 0.05 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 2jm5 h ILE 59 CO -0.02 0.06 -0.06 0.45 -0.69 0.00 0.00 178.15 177.89 2jm5 h HIS 60 N 0.35 -0.14 0.74 1.37 3.86 -1.05 0.25 115.15 120.52 2jm5 h HIS 60 Ca 0.16 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 2jm5 h HIS 60 Cb 0.08 0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 2jm5 h HIS 60 CO -0.11 -0.10 -0.47 -0.07 0.86 0.00 0.00 177.93 178.04 2jm5 h LEU 61 N -0.03 -1.18 -0.32 2.43 3.38 -1.06 0.14 115.31 118.66 2jm5 h LEU 61 Ca 0.09 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2jm5 h LEU 61 Cb 0.17 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2jm5 h LEU 61 CO -0.19 -0.71 -0.02 0.11 0.09 0.00 0.00 178.44 177.71 2jm5 h LYS 62 N -1.13 0.06 0.05 1.13 1.79 -0.87 -1.06 116.57 116.54 2jm5 h LYS 62 Ca -0.10 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2jm5 h LYS 62 Cb 0.91 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2jm5 h LYS 62 CO 0.09 0.04 -0.02 0.00 -1.08 0.00 0.00 179.45 178.48 2jm5 h ALA 63 N 1.29 -0.06 -0.37 3.86 0.00 -0.35 -0.65 119.26 122.99 2jm5 h ALA 63 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jm5 h ALA 63 Cb 0.22 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jm5 h ALA 63 CO -0.28 -0.46 0.16 -0.22 0.00 0.00 0.00 179.25 178.45 2jm5 h LYS 64 N -0.21 0.51 0.31 0.00 1.63 -0.60 0.42 116.57 118.63 2jm5 h LYS 64 Ca -0.01 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 2jm5 h LYS 64 Cb 0.19 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2jm5 h LYS 64 CO 0.01 0.42 -0.15 0.00 -3.45 0.00 0.00 179.45 176.28 2jm5 h ALA 65 N 1.66 -0.42 -0.64 5.00 0.00 -0.95 -1.81 119.26 122.12 2jm5 h ALA 65 Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2jm5 h ALA 65 Cb 0.09 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2jm5 h ALA 65 CO -0.02 -0.55 0.27 0.82 0.00 0.00 0.00 179.25 179.77 2jm5 h ILE 66 N -0.79 1.22 0.55 0.00 2.04 -0.65 -0.85 117.51 119.02 2jm5 h ILE 66 Ca -0.04 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 2jm5 h ILE 66 Cb 0.51 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2jm5 h ILE 66 CO 0.07 0.27 -0.47 0.22 0.00 0.00 0.00 178.15 178.24 2jm5 h TYR 67 N 0.91 -1.28 0.00 1.37 3.20 -0.17 -0.41 116.97 120.59 2jm5 h TYR 67 Ca 0.22 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2jm5 h TYR 67 Cb 0.15 0.49 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2jm5 h TYR 67 CO 0.01 -0.64 0.00 0.39 -1.64 0.00 0.00 178.16 176.28 2jm5 n GLU 68 N -5.29 0.08 0.03 1.82 1.02 -0.68 -0.11 120.64 117.51 2jm5 n GLU 68 Ca -0.12 0.17 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 2jm5 n GLU 68 Cb 0.44 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 30.16 2jm5 n GLU 68 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jm5 h LYS 69 N 0.00 0.00 0.00 3.49 3.64 -0.94 -3.38 116.57 119.38 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 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2jm5 h LYS 69 CO 0.00 0.36 -0.10 1.19 -2.27 0.00 0.00 179.45 178.64 2jm5 n PHE 70 N -2.96 -1.11 0.19 1.91 3.72 -0.18 -1.53 117.46 117.50 2jm5 n PHE 70 Ca -0.10 0.20 0.04 0.00 -0.05 0.00 0.00 57.45 57.54 2jm5 n PHE 70 Cb 0.87 0.44 0.44 0.00 -0.94 0.00 0.00 39.48 40.30 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 1.17 -3.90 4.37 1.08 -0.69 0.13 117.51 119.67 2jm5 h ILE 71 Ca 0.00 -0.80 -0.52 0.00 -0.39 0.00 0.00 64.86 63.15 2jm5 h ILE 71 Cb 0.10 1.39 0.07 0.00 -3.07 0.00 0.00 36.82 35.30 2jm5 h ILE 71 CO 0.00 0.23 0.62 -1.58 -0.69 0.00 0.00 178.15 176.73 2jm5 s GLN 72 N -4.56 4.24 0.02 2.37 2.00 0.85 -4.76 119.66 119.81 2jm5 s GLN 72 Ca -0.04 2.17 -0.24 0.00 -2.00 0.00 0.00 55.36 55.25 2jm5 s GLN 72 Cb 0.15 -2.96 -0.05 0.00 0.80 0.00 0.00 33.01 30.95 2jm5 s GLN 72 CO 0.71 -0.27 0.74 0.99 -0.50 0.00 0.00 175.29 176.96 2jm5 s THR 73 N -1.19 4.81 -0.59 -0.34 2.01 -1.26 -3.90 115.64 115.18 2jm5 s THR 73 Ca 0.51 1.56 -0.02 0.00 0.31 0.00 0.00 61.69 64.06 2jm5 s THR 73 Cb -0.39 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.04 2jm5 s THR 73 CO 0.51 0.34 0.58 -0.67 -0.69 0.00 0.00 174.62 174.69 2jm5 n ASP 74 N 3.00 -6.89 -3.96 3.53 2.03 -1.26 -5.05 116.55 107.95 2jm5 n ASP 74 Ca -0.02 0.01 -0.25 0.00 0.52 0.00 0.00 54.79 55.05 2jm5 n ASP 74 Cb 0.51 -4.64 -0.06 0.00 -0.72 0.00 0.00 41.12 36.21 2jm5 n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jm5 n ALA 75 N -1.47 0.40 -0.29 -1.67 0.00 -1.25 -4.97 120.51 111.26 2jm5 n ALA 75 Ca 0.01 -1.83 0.11 0.00 0.00 0.00 0.00 53.44 51.73 2jm5 n ALA 75 Cb 0.48 1.08 0.26 0.00 0.00 0.00 0.00 19.45 21.27 2jm5 n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2jm5 h PRO 76 N 0.00 0.33 -1.55 0.00 0.11 -1.74 -3.36 132.00 125.79 2jm5 h PRO 76 Ca -0.32 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.55 2jm5 h PRO 76 Cb 1.04 -0.08 -0.26 0.00 0.11 0.00 0.00 31.00 31.81 2jm5 h PRO 76 CO 0.53 0.22 -0.57 0.21 -0.21 0.00 0.00 178.00 178.17 2jm5 s LYS 77 N -5.95 0.67 0.32 1.05 2.47 -0.58 -5.07 119.74 112.65 2jm5 s LYS 77 Ca -0.12 -0.47 -0.29 0.00 -1.56 0.00 0.00 55.97 53.53 2jm5 s LYS 77 Cb 0.24 -0.34 -0.10 0.00 -1.46 0.00 0.00 37.83 36.17 2jm5 s LYS 77 CO 0.77 -1.17 1.30 -1.83 0.16 0.00 0.00 175.35 174.58 2jm5 s GLU 78 N 1.77 4.38 -0.01 4.03 -1.05 -1.26 -3.88 118.70 122.68 2jm5 s GLU 78 Ca 0.15 2.18 -0.14 0.00 -0.15 0.00 0.00 54.97 57.01 2jm5 s GLU 78 Cb -0.11 -3.09 -0.06 0.00 -0.44 0.00 0.00 34.13 30.44 2jm5 s GLU 78 CO -0.09 -0.17 0.39 0.08 0.95 0.00 0.00 175.26 176.42 2jm5 s VAL 79 N -1.03 5.06 -0.98 1.83 1.01 0.46 -4.96 120.40 121.78 2jm5 s VAL 79 Ca 0.49 0.79 -0.07 0.00 0.00 0.00 0.00 61.98 63.20 2jm5 s VAL 79 Cb -0.39 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2jm5 s VAL 79 CO 0.51 0.58 2.92 0.59 0.00 0.00 0.00 175.10 179.70 2jm5 n ASN 80 N 1.82 7.41 -4.84 3.32 3.02 -1.26 -4.92 115.26 119.82 2jm5 n ASN 80 Ca -0.14 -2.81 -0.33 0.00 -0.03 0.00 0.00 54.58 51.26 2jm5 n ASN 80 Cb 0.53 -1.42 -0.06 0.00 -0.61 0.00 0.00 39.78 38.21 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 -0.90 4.06 0.25 3.41 2.96 -1.26 -4.99 118.68 122.21 2jm5 s LEU 81 Ca 0.63 1.41 -0.31 0.00 -0.22 0.00 0.00 54.13 55.65 2jm5 s LEU 81 Cb 0.25 -4.16 -0.13 0.00 0.50 0.00 0.00 46.19 42.64 2jm5 s LEU 81 CO -0.08 -0.23 1.38 -0.67 -1.32 0.00 0.00 176.35 175.43 2jm5 n ASP 82 N -0.33 2.69 0.01 3.68 -0.08 -1.26 -4.80 116.55 116.46 2jm5 n ASP 82 Ca 0.04 1.15 0.06 0.00 -1.51 0.00 0.00 54.79 54.53 2jm5 n ASP 82 Cb 0.53 -1.43 0.47 0.00 2.34 0.00 0.00 41.12 43.03 2jm5 n ASP 82 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 2jm5 h PHE 83 N 3.97 0.44 0.02 -0.67 -0.00 -1.98 0.12 116.94 118.83 2jm5 h PHE 83 Ca -0.45 0.01 -0.22 0.00 -0.00 0.00 0.00 57.97 57.31 2jm5 h PHE 83 Cb 1.28 -0.15 -0.00 0.00 -0.00 0.00 0.00 35.95 37.08 2jm5 h PHE 83 CO 0.56 0.26 -0.97 1.25 -0.00 0.00 0.00 178.31 179.41 2jm5 h HIS 84 N 0.46 0.46 -0.26 6.09 6.17 -1.98 -0.36 115.15 125.72 2jm5 h HIS 84 Ca 0.16 -0.27 -0.07 0.00 0.71 0.00 0.00 60.37 60.91 2jm5 h HIS 84 Cb 0.08 -0.05 -0.01 0.00 2.52 0.00 0.00 27.41 29.96 2jm5 h HIS 84 CO -0.00 1.10 -0.10 1.15 0.71 0.00 0.00 177.93 180.80 2jm5 h THR 85 N 0.16 1.29 -0.51 6.26 2.02 -1.69 -1.25 112.91 119.18 2jm5 h THR 85 Ca -0.07 -1.15 0.08 0.00 0.77 0.00 0.00 66.41 66.04 2jm5 h THR 85 Cb 1.62 1.49 -0.07 0.00 -1.74 0.00 0.00 68.15 69.45 2jm5 h THR 85 CO 0.16 0.36 0.13 0.11 0.37 0.00 0.00 175.52 176.65 2jm5 h LYS 86 N 0.27 0.27 -0.16 6.66 1.57 -0.75 -2.62 116.57 121.81 2jm5 h LYS 86 Ca 0.06 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2jm5 h LYS 86 Cb 0.59 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 2jm5 h LYS 86 CO 0.03 0.18 -0.29 1.49 -0.57 0.00 0.00 179.45 180.29 2jm5 h GLU 87 N 0.28 -0.33 -0.66 3.15 4.81 -0.65 0.24 114.58 121.42 2jm5 h GLU 87 Ca 0.26 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.61 2jm5 h GLU 87 Cb 0.33 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 2jm5 h GLU 87 CO -0.31 -0.22 0.27 0.28 -0.73 0.00 0.00 179.01 178.30 2jm5 h VAL 88 N -0.35 0.77 -0.27 0.32 2.07 -0.94 -1.00 116.25 116.85 2jm5 h VAL 88 Ca 0.11 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 2jm5 h VAL 88 Cb 0.51 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2jm5 h VAL 88 CO -0.36 0.08 -0.17 0.40 0.02 0.00 0.00 177.57 177.55 2jm5 h ILE 89 N 0.46 1.30 0.00 4.57 2.04 -1.03 0.12 117.51 124.97 2jm5 h ILE 89 Ca 0.33 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 2jm5 h ILE 89 Cb 0.42 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2jm5 h ILE 89 CO -0.32 0.41 -0.02 0.71 0.00 0.00 0.00 178.15 178.93 2jm5 h THR 90 N 0.32 0.19 0.00 -0.27 1.35 0.39 -0.38 112.91 114.51 2jm5 h THR 90 Ca 0.06 -0.13 -0.11 0.00 -0.55 0.00 0.00 66.41 65.68 2jm5 h THR 90 Cb 0.70 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 2jm5 h THR 90 CO 0.05 0.02 -1.06 0.59 -0.25 0.00 0.00 175.52 174.87 2jm5 n ASN 91 N -3.32 1.87 0.00 5.36 3.02 -0.47 -4.46 115.26 117.26 2jm5 n ASN 91 Ca -0.02 0.48 0.09 0.00 -0.03 0.00 0.00 54.58 55.09 2jm5 n ASN 91 Cb 0.12 -0.85 0.51 0.00 -0.61 0.00 0.00 39.78 38.95 2jm5 n ASN 91 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2jm5 n SER 92 N -4.49 0.00 0.26 6.41 7.64 0.38 -3.37 113.62 120.45 2jm5 n SER 92 Ca -0.20 -1.12 0.16 0.00 1.01 0.00 0.00 58.87 58.72 2jm5 n SER 92 Cb 0.50 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 64.29 2jm5 n SER 92 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2jm5 h ILE 93 N 0.00 0.06 -0.31 0.44 6.09 -1.28 -2.23 117.51 120.29 2jm5 h ILE 93 Ca 0.00 -0.64 -0.03 0.00 -1.37 0.00 0.00 64.86 62.82 2jm5 h ILE 93 Cb 0.00 1.60 -0.02 0.00 0.47 0.00 0.00 36.82 38.87 2jm5 h ILE 93 CO 0.00 0.03 0.07 0.00 -3.07 0.00 0.00 178.15 175.18 2jm5 h THR 94 N 0.00 1.15 -1.64 2.19 1.03 -1.84 -3.35 112.91 110.45 2jm5 h THR 94 Ca -0.00 -0.52 -0.42 0.00 -0.01 0.00 0.00 66.41 65.46 2jm5 h THR 94 Cb 0.60 0.83 -0.29 0.00 -1.07 0.00 0.00 68.15 68.22 2jm5 h THR 94 CO 0.00 0.19 -0.81 0.00 -0.01 0.00 0.00 175.52 174.89 2jm5 n GLN 95 N -4.37 0.44 -1.44 0.00 10.64 -0.89 -5.06 117.38 116.72 2jm5 n GLN 95 Ca 0.01 -2.69 -0.30 0.00 -1.83 0.00 0.00 57.00 52.19 2jm5 n GLN 95 Cb 0.17 -1.51 0.10 0.00 -0.86 0.00 0.00 30.24 28.15 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 0.14 1.87 0.48 2.61 0.04 -0.92 -4.94 135.00 134.28 2jm5 s PRO 96 Ca 0.32 0.73 0.03 0.00 0.04 0.00 0.00 61.00 62.12 2jm5 s PRO 96 Cb 0.07 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2jm5 s PRO 96 CO -0.15 -1.79 0.01 0.95 0.04 0.00 0.00 177.00 176.06 2jm5 s THR 97 N -3.07 1.41 0.63 1.26 -4.23 -1.26 -4.83 115.64 105.55 2jm5 s THR 97 Ca 0.61 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.49 2jm5 s THR 97 Cb -0.16 -2.43 0.39 0.00 1.34 0.00 0.00 72.50 71.65 2jm5 s THR 97 CO 0.55 0.00 2.26 0.25 -0.54 0.00 0.00 174.62 177.14 2jm5 h LEU 98 N 1.49 0.00 -5.06 4.79 5.85 -1.94 -2.56 115.31 117.89 2jm5 h LEU 98 Ca -0.44 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 57.84 2jm5 h LEU 98 Cb 1.29 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.92 2jm5 h LEU 98 CO 0.76 0.00 -1.07 1.41 -0.34 0.00 0.00 178.44 179.20 2jm5 n HIS 99 N -3.40 1.64 0.41 1.25 8.25 -1.26 -3.71 115.22 118.40 2jm5 n HIS 99 Ca -0.02 -3.07 0.04 0.00 -0.26 0.00 0.00 57.72 54.41 2jm5 n HIS 99 Cb 0.14 -0.33 0.22 0.00 1.12 0.00 0.00 29.99 31.14 2jm5 n HIS 99 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jm5 n SER 100 N -0.11 0.00 -0.25 0.41 7.64 -0.97 -1.03 113.62 119.31 2jm5 n SER 100 Ca 0.19 0.18 0.09 0.00 1.01 0.00 0.00 58.87 60.33 2jm5 n SER 100 Cb 0.74 -0.30 0.16 0.00 -1.01 0.00 0.00 64.21 63.80 2jm5 n SER 100 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2jm5 n PHE 101 N -1.30 0.20 0.01 1.43 3.72 -1.26 -4.69 117.46 115.58 2jm5 n PHE 101 Ca 0.04 -0.93 -0.10 0.00 -0.05 0.00 0.00 57.45 56.41 2jm5 n PHE 101 Cb 0.07 -0.18 -0.05 0.00 -0.94 0.00 0.00 39.48 38.39 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 0.41 -0.14 -0.05 4.37 3.58 -1.47 0.35 116.42 123.47 2jm5 h ASP 102 Ca 0.00 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 2jm5 h ASP 102 Cb 1.05 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 2jm5 h ASP 102 CO 0.05 -0.06 -0.38 0.00 -2.88 0.00 0.00 179.24 175.96 2jm5 h ALA 103 N 1.04 0.88 -0.17 -0.78 0.00 -1.86 -2.44 119.26 115.94 2jm5 h ALA 103 Ca 0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 2jm5 h ALA 103 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jm5 h ALA 103 CO -0.11 0.64 -0.45 0.00 0.00 0.00 0.00 179.25 179.32 2jm5 h ALA 104 N 1.12 0.91 -0.59 0.00 0.00 -1.74 0.12 119.26 119.08 2jm5 h ALA 104 Ca 0.04 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2jm5 h ALA 104 Cb 0.88 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2jm5 h ALA 104 CO 0.07 0.65 0.38 0.37 0.00 0.00 0.00 179.25 180.72 2jm5 h GLN 105 N 0.33 0.74 -0.18 0.00 4.15 -0.07 0.13 115.11 120.21 2jm5 h GLN 105 Ca 0.02 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 2jm5 h GLN 105 Cb 0.93 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 2jm5 h GLN 105 CO 0.08 0.49 -0.49 0.77 -1.93 0.00 0.00 178.83 177.75 2jm5 h SER 106 N 0.76 0.51 0.14 -0.69 0.02 -0.93 -1.67 113.55 111.69 2jm5 h SER 106 Ca 0.22 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2jm5 h SER 106 Cb -0.05 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2jm5 h SER 106 CO -0.07 0.92 -0.07 0.03 -1.14 0.00 0.00 176.83 176.50 2jm5 h ARG 107 N 0.37 -0.18 -0.43 3.45 2.47 -0.10 -2.09 114.38 117.88 2jm5 h ARG 107 Ca 0.02 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.69 2jm5 h ARG 107 Cb 0.99 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.33 2jm5 h ARG 107 CO 0.09 0.02 0.01 0.28 0.56 0.00 0.00 179.97 180.93 2jm5 h VAL 108 N -0.35 1.22 0.05 2.04 2.07 -0.77 0.24 116.25 120.75 2jm5 h VAL 108 Ca -0.02 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.62 2jm5 h VAL 108 Cb 0.28 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2jm5 h VAL 108 CO 0.03 0.32 -0.16 0.22 0.02 0.00 0.00 177.57 177.99 2jm5 h TYR 109 N 0.64 -0.42 -0.04 1.57 5.03 -1.20 0.11 116.97 122.66 2jm5 h TYR 109 Ca 0.13 0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.30 2jm5 h TYR 109 Cb 0.39 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 2jm5 h TYR 109 CO 0.02 -0.24 -0.64 -0.56 -1.32 0.00 0.00 178.16 175.41 2jm5 h GLN 110 N -0.30 0.18 0.22 1.82 3.07 -0.91 -2.26 115.11 116.93 2jm5 h GLN 110 Ca 0.04 -0.13 0.01 0.00 0.09 0.00 0.00 58.65 58.65 2jm5 h GLN 110 Cb 0.33 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.89 2jm5 h GLN 110 CO -0.12 0.76 -0.26 1.25 0.09 0.00 0.00 178.83 180.55 2jm5 h LEU 111 N 0.13 -0.71 -1.21 0.06 5.85 -0.30 -0.63 115.31 118.49 2jm5 h LEU 111 Ca -0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2jm5 h LEU 111 Cb 1.16 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 2jm5 h LEU 111 CO 0.10 -0.37 0.29 0.24 -0.34 0.00 0.00 178.44 178.35 2jm5 h MET 112 N -0.53 0.83 0.64 1.25 2.86 -0.70 -2.12 114.93 117.16 2jm5 h MET 112 Ca 0.00 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2jm5 h MET 112 Cb 0.51 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.01 2jm5 h MET 112 CO -0.08 0.64 -0.32 1.49 1.06 0.00 0.00 176.91 179.70 2jm5 h GLU 113 N 0.83 -0.84 0.00 1.72 4.22 -0.97 0.42 114.58 119.96 2jm5 h GLU 113 Ca 0.21 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.70 2jm5 h GLU 113 Cb 0.08 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2jm5 h GLU 113 CO -0.03 -0.56 0.00 0.00 -2.18 0.00 0.00 179.01 176.24 2jm5 n GLN 114 N -4.37 0.04 -0.02 1.92 10.64 -0.28 -2.05 117.38 123.25 2jm5 n GLN 114 Ca -0.11 0.31 -0.06 0.00 -1.83 0.00 0.00 57.00 55.32 2jm5 n GLN 114 Cb 0.35 -1.58 -0.02 0.00 -0.86 0.00 0.00 30.24 28.13 2jm5 n GLN 114 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2jm5 n ASP 115 N -1.65 1.27 -0.05 2.61 2.03 -0.81 -4.87 116.55 115.08 2jm5 n ASP 115 Ca 0.03 0.19 -0.05 0.00 0.52 0.00 0.00 54.79 55.48 2jm5 n ASP 115 Cb 0.16 -0.45 -0.14 0.00 -0.72 0.00 0.00 41.12 39.97 2jm5 n ASP 115 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jm5 n SER 116 N -3.78 0.34 -0.24 1.67 7.64 0.12 -4.42 113.62 114.95 2jm5 n SER 116 Ca -0.10 0.16 -0.04 0.00 1.01 0.00 0.00 58.87 59.90 2jm5 n SER 116 Cb 0.32 0.75 0.12 0.00 -1.01 0.00 0.00 64.21 64.40 2jm5 n SER 116 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2jm5 h TYR 117 N 0.00 1.09 0.64 1.43 3.20 -0.17 0.28 116.97 123.44 2jm5 h TYR 117 Ca -0.35 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.41 2jm5 h TYR 117 Cb 1.92 -0.33 0.01 0.00 1.54 0.00 0.00 36.73 39.86 2jm5 h TYR 117 CO 0.00 0.83 -0.31 1.79 -1.64 0.00 0.00 178.16 178.83 2jm5 h THR 118 N 1.06 0.33 0.00 1.81 1.35 -1.77 0.58 112.91 116.27 2jm5 h THR 118 Ca 0.25 -0.13 -0.05 0.00 -0.55 0.00 0.00 66.41 65.93 2jm5 h THR 118 Cb 0.19 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 66.98 2jm5 h THR 118 CO -0.02 0.02 -0.24 0.08 -0.25 0.00 0.00 175.52 175.11 2jm5 h ARG 119 N -0.95 0.00 -0.59 4.72 0.11 -1.74 -1.59 114.38 114.34 2jm5 h ARG 119 Ca -0.09 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.90 2jm5 h ARG 119 Cb 0.69 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.74 2jm5 h ARG 119 CO 0.14 0.24 0.01 0.35 0.10 0.00 0.00 179.97 180.81 2jm5 h PHE 120 N 0.00 1.11 0.00 4.08 3.57 -0.15 0.65 116.94 126.20 2jm5 h PHE 120 Ca -0.00 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.29 2jm5 h PHE 120 Cb 0.49 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 2jm5 h PHE 120 CO 0.00 0.98 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.85 2jm5 h LEU 121 N 0.94 0.00 -0.42 0.59 3.38 0.10 -0.77 115.31 119.14 2jm5 h LEU 121 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2jm5 h LEU 121 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2jm5 h LEU 121 CO 0.03 0.13 -0.37 1.17 0.09 0.00 0.00 178.44 179.49 2jm5 n LYS 122 N -3.91 0.66 -1.59 1.13 3.00 -0.82 -4.49 118.16 112.14 2jm5 n LYS 122 Ca -0.02 -0.42 -0.34 0.00 -0.00 0.00 0.00 58.31 57.53 2jm5 n LYS 122 Cb 0.23 -1.49 0.07 0.00 0.00 0.00 0.00 35.03 33.84 2jm5 n LYS 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2jm5 s SER 123 N -2.63 4.53 0.35 3.14 1.04 0.16 -4.80 113.70 115.48 2jm5 s SER 123 Ca 0.20 2.29 0.04 0.00 0.48 0.00 0.00 55.95 58.97 2jm5 s SER 123 Cb 0.19 -2.58 0.65 0.00 0.10 0.00 0.00 66.02 64.37 2jm5 s SER 123 CO 0.58 -2.03 1.93 0.44 0.98 0.00 0.00 173.24 175.14 2jm5 h ASP 124 N -0.05 0.54 -0.58 7.02 3.32 -1.90 0.91 116.42 125.68 2jm5 h ASP 124 Ca -0.48 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.42 2jm5 h ASP 124 Cb 1.29 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2jm5 h ASP 124 CO 0.51 0.52 0.03 -0.29 -1.72 0.00 0.00 179.24 178.29 2jm5 h ILE 125 N 0.58 1.26 -0.22 0.35 -0.00 -1.91 -0.55 117.51 117.03 2jm5 h ILE 125 Ca 0.14 -1.09 -0.20 0.00 -0.00 0.00 0.00 64.86 63.70 2jm5 h ILE 125 Cb 0.18 0.82 0.00 0.00 -0.00 0.00 0.00 36.82 37.83 2jm5 h ILE 125 CO -0.01 0.40 -0.65 0.22 -0.00 0.00 0.00 178.15 178.10 2jm5 h TYR 126 N 0.90 1.04 0.00 2.19 5.03 -1.58 -2.29 116.97 122.26 2jm5 h TYR 126 Ca 0.17 -0.41 0.00 0.00 2.58 0.00 0.00 58.73 61.07 2jm5 h TYR 126 Cb 0.51 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.61 2jm5 h TYR 126 CO 0.04 1.23 0.00 1.28 -1.32 0.00 0.00 178.16 179.39 2jm5 n LEU 127 N -3.96 0.13 0.06 2.82 4.77 0.24 -1.32 117.00 119.73 2jm5 n LEU 127 Ca -0.06 0.53 -0.19 0.00 -0.03 0.00 0.00 56.01 56.27 2jm5 n LEU 127 Cb 0.68 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 2jm5 n LEU 127 CO 0.51 -0.30 -0.46 -0.78 -1.33 0.00 0.00 177.39 175.03 2jm5 h ASP 128 N 0.00 0.46 -0.43 -1.43 3.58 -0.62 -1.05 116.42 116.93 2jm5 h ASP 128 Ca 0.00 -0.70 0.00 0.00 0.42 0.00 0.00 57.03 56.76 2jm5 h ASP 128 Cb 0.28 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2jm5 h ASP 128 CO 0.00 1.59 0.29 -0.07 -2.88 0.00 0.00 179.24 178.17 2jm5 h LEU 129 N 0.08 0.50 0.05 2.28 3.38 -0.67 -3.29 115.31 117.64 2jm5 h LEU 129 Ca -0.30 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.29 2jm5 h LEU 129 Cb 2.05 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.63 2jm5 h LEU 129 CO 0.16 0.36 -2.17 1.15 0.09 0.00 0.00 178.44 178.03 2jm5 n MET 130 N -4.79 0.67 0.00 1.13 0.00 -1.03 -3.71 117.12 109.40 2jm5 n MET 130 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.97 2jm5 n MET 130 Cb 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 31.63 2jm5 n MET 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2jm5 n GLU 131 N -3.62 0.00 0.00 3.17 2.13 -0.40 -3.79 120.64 118.13 2jm5 n GLU 131 Ca -0.40 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.42 2jm5 n GLU 131 Cb 0.96 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.67 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jm5 n GLY 132 N 0.00 -2.09 2.67 8.31 0.00 -1.26 -4.92 105.19 107.90 2jm5 n GLY 132 Ca 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 46.02 46.69 2jm5 n GLY 132 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jm5 s ARG 133 N 0.00 0.06 0.00 1.61 1.70 -1.25 -5.12 118.95 115.95 2jm5 s ARG 133 Ca 0.00 -0.04 0.21 0.00 -0.47 0.00 0.00 55.73 55.43 2jm5 s ARG 133 Cb 0.00 0.00 1.27 0.00 -0.57 0.00 0.00 34.95 35.65 2jm5 s ARG 133 CO 0.00 -0.07 1.65 -2.30 -1.08 0.00 0.00 175.30 173.50