#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm5 s MET 2 N 0.00 0.61 -0.14 1.43 0.23 -1.26 -5.15 119.30 115.01 2jm5 s MET 2 Ca 0.00 0.25 -0.04 0.00 -1.03 0.00 0.00 55.69 54.87 2jm5 s MET 2 Cb 0.00 0.29 0.07 0.00 -1.53 0.00 0.00 34.83 33.66 2jm5 s MET 2 CO 0.00 -0.17 0.20 0.54 -2.03 0.00 0.00 175.02 173.56 2jm5 s VAL 3 N -0.84 -0.30 0.53 5.16 0.11 -1.26 -4.98 120.40 118.81 2jm5 s VAL 3 Ca -0.01 0.13 -0.22 0.00 -2.93 0.00 0.00 61.98 58.94 2jm5 s VAL 3 Cb -0.01 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.30 2jm5 s VAL 3 CO 0.01 -0.02 1.33 -0.55 -3.33 0.00 0.00 175.10 172.53 2jm5 s SER 4 N 2.32 5.46 0.53 3.54 0.15 -1.26 -4.80 113.70 119.64 2jm5 s SER 4 Ca 0.04 2.69 0.22 0.00 0.70 0.00 0.00 55.95 59.60 2jm5 s SER 4 Cb -0.14 -2.63 1.39 0.00 -1.71 0.00 0.00 66.02 62.93 2jm5 s SER 4 CO -0.09 -1.43 2.07 1.55 1.20 0.00 0.00 173.24 176.54 2jm5 h PRO 5 N 1.61 0.00 -0.02 5.44 0.13 -1.85 0.21 132.00 137.52 2jm5 h PRO 5 Ca -0.51 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.43 2jm5 h PRO 5 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2jm5 h PRO 5 CO 0.58 0.00 -0.83 0.93 -0.23 0.00 0.00 178.00 178.45 2jm5 h GLU 6 N 0.00 0.28 -0.25 0.86 5.08 -1.90 0.18 114.58 118.83 2jm5 h GLU 6 Ca 0.13 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.07 2jm5 h GLU 6 Cb 0.53 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2jm5 h GLU 6 CO -0.00 0.96 -0.43 1.49 -1.00 0.00 0.00 179.01 180.03 2jm5 h GLU 7 N 0.17 0.61 -0.22 2.33 4.57 -1.24 -2.53 114.58 118.28 2jm5 h GLU 7 Ca -0.04 -0.33 -0.16 0.00 -1.18 0.00 0.00 59.36 57.65 2jm5 h GLU 7 Cb 1.43 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.03 2jm5 h GLU 7 CO 0.13 0.93 -0.51 0.00 -1.18 0.00 0.00 179.01 178.38 2jm5 h ALA 8 N 1.03 0.69 0.00 2.92 0.00 -0.47 -2.79 119.26 120.63 2jm5 h ALA 8 Ca 0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2jm5 h ALA 8 Cb 0.95 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2jm5 h ALA 8 CO 0.09 0.68 -0.13 -0.39 0.00 0.00 0.00 179.25 179.50 2jm5 h VAL 9 N 0.49 0.84 0.00 0.00 -1.51 -0.44 -1.09 116.25 114.54 2jm5 h VAL 9 Ca 0.02 -0.47 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 2jm5 h VAL 9 Cb 1.06 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2jm5 h VAL 9 CO 0.10 0.12 -0.05 0.11 -1.23 0.00 0.00 177.57 176.62 2jm5 h LYS 10 N 0.00 0.00 0.00 5.19 1.79 -1.17 0.03 116.57 122.41 2jm5 h LYS 10 Ca -0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2jm5 h LYS 10 Cb 0.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2jm5 h LYS 10 CO 0.02 0.05 -0.21 -1.49 -1.08 0.00 0.00 179.45 176.73 2jm5 h TRP 11 N 0.00 0.00 -0.01 -1.35 6.55 -1.23 -2.97 115.95 116.94 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 0.12 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 2jm5 h TRP 11 CO 0.00 0.21 -0.06 0.41 -1.05 0.00 0.00 178.44 177.96 2jm5 n GLY 12 N 0.27 -0.35 0.01 1.49 0.00 -0.01 -3.32 105.19 103.27 2jm5 n GLY 12 Ca 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.26 0.84 -3.49 1.61 0.28 -1.13 -4.95 120.64 113.55 2jm5 n GLU 13 Ca 0.18 -0.11 -0.04 0.00 -0.16 0.00 0.00 57.16 57.03 2jm5 n GLU 13 Cb 0.31 -1.33 -0.06 0.00 1.43 0.00 0.00 31.44 31.79 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 -3.47 -0.65 0.28 -1.84 0.01 -1.21 -5.02 113.70 101.79 2jm5 s SER 14 Ca -0.03 0.99 -0.01 0.00 1.31 0.00 0.00 55.95 58.21 2jm5 s SER 14 Cb 0.10 1.75 0.47 0.00 0.21 0.00 0.00 66.02 68.56 2jm5 s SER 14 CO 0.65 -0.25 1.87 0.15 0.41 0.00 0.00 173.24 176.07 2jm5 h PHE 15 N 8.09 1.17 -0.72 2.43 3.57 -1.90 -1.50 116.94 128.08 2jm5 h PHE 15 Ca -0.19 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.36 2jm5 h PHE 15 Cb 1.13 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2jm5 h PHE 15 CO 0.18 0.56 0.47 0.22 -2.23 0.00 0.00 178.31 177.51 2jm5 h ASP 16 N 1.10 0.81 -0.15 0.41 3.58 -1.95 0.39 116.42 120.61 2jm5 h ASP 16 Ca 0.45 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.82 2jm5 h ASP 16 Cb 0.29 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2jm5 h ASP 16 CO -0.20 0.58 -0.17 0.50 -2.88 0.00 0.00 179.24 177.07 2jm5 h LYS 17 N 0.95 0.38 -0.03 0.28 3.64 -1.63 -0.56 116.57 119.61 2jm5 h LYS 17 Ca 0.27 -0.21 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2jm5 h LYS 17 Cb -0.08 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2jm5 h LYS 17 CO -0.06 0.78 -0.16 1.25 -2.27 0.00 0.00 179.45 178.98 2jm5 h LEU 18 N 0.01 -0.48 -1.24 5.20 5.85 -1.05 -2.57 115.31 121.03 2jm5 h LEU 18 Ca 0.02 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2jm5 h LEU 18 Cb 0.72 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2jm5 h LEU 18 CO 0.04 -0.22 -0.37 0.25 -0.34 0.00 0.00 178.44 177.80 2jm5 h LEU 19 N -0.25 0.00 -2.19 2.25 5.85 -0.86 -1.83 115.31 118.28 2jm5 h LEU 19 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2jm5 h LEU 19 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2jm5 h LEU 19 CO -0.18 0.37 0.00 -1.20 -0.34 0.00 0.00 178.44 177.09 2jm5 n SER 20 N -3.94 3.20 -4.47 1.25 7.64 -0.22 -4.30 113.62 112.78 2jm5 n SER 20 Ca -0.02 -2.05 -0.34 0.00 1.01 0.00 0.00 58.87 57.47 2jm5 n SER 20 Cb 0.42 -0.41 -0.13 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.31 3.00 0.20 1.43 5.65 -0.72 -5.01 115.29 118.52 2jm5 s HIS 21 Ca 0.39 -0.39 -0.10 0.00 0.25 0.00 0.00 55.06 55.21 2jm5 s HIS 21 Cb 0.21 -1.96 0.24 0.00 -1.18 0.00 0.00 32.58 29.89 2jm5 s HIS 21 CO 0.25 -0.10 1.77 -0.09 -0.65 0.00 0.00 174.74 175.92 2jm5 h ARG 22 N 6.84 0.47 -0.91 2.88 2.43 -1.85 0.42 114.38 124.65 2jm5 h ARG 22 Ca -0.31 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.87 2jm5 h ARG 22 Cb 1.19 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 2jm5 h ARG 22 CO 0.62 0.31 0.60 -0.44 -1.51 0.00 0.00 179.97 179.55 2jm5 h ASP 23 N 0.48 0.99 0.23 -3.80 5.19 -1.94 0.06 116.42 117.63 2jm5 h ASP 23 Ca 0.29 -0.01 -0.33 0.00 -0.62 0.00 0.00 57.03 56.36 2jm5 h ASP 23 Cb 0.29 -0.23 0.03 0.00 0.18 0.00 0.00 39.33 39.61 2jm5 h ASP 23 CO -0.25 0.67 -1.48 1.23 -3.12 0.00 0.00 179.24 176.29 2jm5 h GLY 24 N 1.14 0.56 0.55 2.75 0.00 -1.16 0.30 103.07 107.22 2jm5 h GLY 24 Ca 0.36 -1.42 0.10 0.00 0.00 0.00 0.00 47.33 46.38 2jm5 h GLY 24 CO -0.11 1.24 0.64 -2.00 0.00 0.00 0.00 176.54 176.31 2jm5 h LEU 25 N 0.08 0.96 -0.19 3.11 6.46 0.15 0.31 115.31 126.19 2jm5 h LEU 25 Ca -0.27 0.04 -0.22 0.00 -0.12 0.00 0.00 57.88 57.31 2jm5 h LEU 25 Cb 2.10 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 41.88 2jm5 h LEU 25 CO 0.24 0.54 -0.73 -0.08 -0.62 0.00 0.00 178.44 177.79 2jm5 h GLU 26 N 1.05 0.82 -0.60 1.25 4.57 -0.87 -0.34 114.58 120.47 2jm5 h GLU 26 Ca 0.48 -0.64 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 2jm5 h GLU 26 Cb 0.39 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 2jm5 h GLU 26 CO -0.24 1.25 0.13 0.00 -1.18 0.00 0.00 179.01 178.97 2jm5 h ALA 27 N 0.58 0.79 -0.00 2.92 0.00 0.67 0.28 119.26 124.49 2jm5 h ALA 27 Ca -0.04 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 2jm5 h ALA 27 Cb 1.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2jm5 h ALA 27 CO 0.15 0.52 -0.81 0.35 0.00 0.00 0.00 179.25 179.46 2jm5 h PHE 28 N 0.88 0.19 0.04 0.00 3.57 -0.44 -2.30 116.94 118.89 2jm5 h PHE 28 Ca 0.19 -0.10 -0.23 0.00 3.53 0.00 0.00 57.97 61.36 2jm5 h PHE 28 Cb 0.38 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2jm5 h PHE 28 CO 0.03 0.88 -1.04 0.00 -2.23 0.00 0.00 178.31 175.96 2jm5 h THR 29 N 0.08 1.57 -0.25 4.41 1.03 -0.83 -1.99 112.91 116.93 2jm5 h THR 29 Ca -0.03 -3.04 0.02 0.00 -0.01 0.00 0.00 66.41 63.36 2jm5 h THR 29 Cb 1.42 2.75 -0.03 0.00 -1.07 0.00 0.00 68.15 71.23 2jm5 h THR 29 CO 0.12 0.88 0.09 -0.09 -0.01 0.00 0.00 175.52 176.51 2jm5 h ARG 30 N 0.06 0.20 -0.55 0.00 2.43 -0.89 0.33 114.38 115.96 2jm5 h ARG 30 Ca -0.06 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2jm5 h ARG 30 Cb 1.74 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 31.20 2jm5 h ARG 30 CO 0.16 0.13 0.27 0.35 -1.51 0.00 0.00 179.97 179.37 2jm5 h PHE 31 N 0.21 0.50 0.00 2.20 3.57 -1.20 -0.19 116.94 122.03 2jm5 h PHE 31 Ca 0.11 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 2jm5 h PHE 31 Cb 0.07 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2jm5 h PHE 31 CO -0.12 0.23 -0.50 1.37 -2.23 0.00 0.00 178.31 177.06 2jm5 h LEU 32 N 0.52 0.00 -0.69 0.59 8.10 -0.78 -2.96 115.31 120.10 2jm5 h LEU 32 Ca 0.25 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.11 2jm5 h LEU 32 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 2jm5 h LEU 32 CO -0.18 0.50 -0.43 0.11 -4.11 0.00 0.00 178.44 174.33 2jm5 h LYS 33 N 0.00 0.51 -0.27 0.17 1.57 -0.06 0.46 116.57 118.95 2jm5 h LYS 33 Ca -0.00 -0.27 0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2jm5 h LYS 33 Cb 1.32 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 2jm5 h LYS 33 CO 0.06 0.85 0.27 1.15 -0.57 0.00 0.00 179.45 181.21 2jm5 h THR 34 N 0.42 0.50 0.00 -0.16 2.02 -0.88 -1.86 112.91 112.95 2jm5 h THR 34 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2jm5 h THR 34 Cb 0.92 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2jm5 h THR 34 CO 0.08 0.00 0.00 -1.84 0.37 0.00 0.00 175.52 174.13 2jm5 n GLU 35 N -3.89 2.27 -2.28 6.66 0.28 -0.94 -4.99 120.64 117.76 2jm5 n GLU 35 Ca 0.04 -1.30 -0.19 0.00 -0.16 0.00 0.00 57.16 55.55 2jm5 n GLU 35 Cb 0.41 -0.97 -0.02 0.00 1.43 0.00 0.00 31.44 32.30 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 -0.40 -0.81 -1.21 -1.84 3.72 0.22 -4.86 117.46 112.28 2jm5 n PHE 36 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2jm5 n PHE 36 Cb 0.23 -3.67 0.24 0.00 -0.94 0.00 0.00 39.48 35.33 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 -1.59 3.75 0.10 4.37 7.64 0.14 -4.61 113.62 123.41 2jm5 n SER 37 Ca -0.22 -3.46 0.13 0.00 1.01 0.00 0.00 58.87 56.32 2jm5 n SER 37 Cb 0.67 -0.72 0.45 0.00 -1.01 0.00 0.00 64.21 63.60 2jm5 n SER 37 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2jm5 n GLU 38 N -0.75 0.21 -0.04 1.43 -0.00 -1.07 -3.15 120.64 117.27 2jm5 n GLU 38 Ca 0.42 0.27 -0.04 0.00 -0.00 0.00 0.00 57.16 57.80 2jm5 n GLU 38 Cb 1.31 -1.80 0.17 0.00 -0.00 0.00 0.00 31.44 31.13 2jm5 n GLU 38 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2jm5 h GLU 39 N 0.00 0.64 -0.27 3.44 9.09 -1.90 -2.98 114.58 122.59 2jm5 h GLU 39 Ca 0.00 -0.21 0.04 0.00 0.05 0.00 0.00 59.36 59.23 2jm5 h GLU 39 Cb 0.58 -0.05 -0.07 0.00 -1.65 0.00 0.00 28.75 27.56 2jm5 h GLU 39 CO 0.00 0.76 -0.47 -0.91 0.05 0.00 0.00 179.01 178.44 2jm5 h ASN 40 N 0.58 -1.56 -0.40 3.06 2.35 -1.94 0.81 115.58 118.48 2jm5 h ASN 40 Ca 0.10 0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.91 2jm5 h ASN 40 Cb 0.59 0.63 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 2jm5 h ASN 40 CO 0.04 -0.37 -0.26 -0.29 -1.65 0.00 0.00 177.43 174.90 2jm5 h ILE 41 N -0.39 1.28 0.00 2.81 2.10 -1.78 -2.24 117.51 119.29 2jm5 h ILE 41 Ca 0.05 -1.42 0.00 0.00 1.08 0.00 0.00 64.86 64.57 2jm5 h ILE 41 Cb 0.53 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 2jm5 h ILE 41 CO -0.47 0.48 0.00 -0.62 -1.08 0.00 0.00 178.15 176.46 2jm5 n GLU 42 N -4.17 0.14 0.36 2.19 4.71 -1.08 -2.43 120.64 120.37 2jm5 n GLU 42 Ca -0.02 0.14 -0.16 0.00 -0.01 0.00 0.00 57.16 57.12 2jm5 n GLU 42 Cb 0.47 -1.68 -0.08 0.00 -1.01 0.00 0.00 31.44 29.15 2jm5 n GLU 42 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2jm5 h PHE 43 N 0.00 -0.85 0.00 -0.32 3.04 0.13 0.15 116.94 119.08 2jm5 h PHE 43 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2jm5 h PHE 43 Cb 0.60 0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.39 2jm5 h PHE 43 CO 0.00 -0.50 0.00 0.11 -2.02 0.00 0.00 178.31 175.90 2jm5 h TRP 44 N -1.12 0.00 -0.28 0.41 -0.00 -1.53 -1.38 115.95 112.05 2jm5 h TRP 44 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.72 2jm5 h TRP 44 Cb 0.74 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.88 2jm5 h TRP 44 CO -0.00 0.00 -0.15 0.82 -0.00 0.00 0.00 178.44 179.11 2jm5 h ILE 45 N 0.00 1.23 -0.28 0.12 2.04 -1.34 0.27 117.51 119.55 2jm5 h ILE 45 Ca 0.00 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 2jm5 h ILE 45 Cb 0.69 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2jm5 h ILE 45 CO 0.00 0.34 -0.10 0.00 0.00 0.00 0.00 178.15 178.39 2jm5 h ALA 46 N 1.41 1.30 -0.05 1.87 0.00 0.40 0.41 119.26 124.59 2jm5 h ALA 46 Ca 0.08 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 2jm5 h ALA 46 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jm5 h ALA 46 CO 0.03 0.47 -0.78 0.00 0.00 0.00 0.00 179.25 178.97 2jm5 h GLU 48 N 0.23 0.36 0.00 0.00 4.57 -0.02 0.21 114.58 119.92 2jm5 h GLU 48 Ca -0.04 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2jm5 h GLU 48 Cb 1.37 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2jm5 h GLU 48 CO 0.13 0.46 -0.00 0.22 -1.18 0.00 0.00 179.01 178.64 2jm5 h ASP 49 N 0.19 0.00 0.12 1.04 3.58 -0.09 -1.91 116.42 119.35 2jm5 h ASP 49 Ca 0.07 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.25 2jm5 h ASP 49 Cb 0.26 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 2jm5 h ASP 49 CO -0.00 0.00 -1.39 0.15 -2.88 0.00 0.00 179.24 175.12 2jm5 h PHE 50 N 0.00 0.46 0.00 0.28 3.57 -0.36 -3.36 116.94 117.53 2jm5 h PHE 50 Ca -0.00 -0.34 -0.04 0.00 3.53 0.00 0.00 57.97 61.13 2jm5 h PHE 50 Cb 0.25 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2jm5 h PHE 50 CO 0.00 1.54 -0.18 1.57 -2.23 0.00 0.00 178.31 179.01 2jm5 h LYS 51 N -0.29 0.00 -0.00 1.11 2.10 -0.09 -2.34 116.57 117.06 2jm5 h LYS 51 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2jm5 h LYS 51 Cb 1.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.10 2jm5 h LYS 51 CO 0.07 0.18 -0.00 0.36 -2.00 0.00 0.00 179.45 178.06 2jm5 n LYS 52 N -3.31 0.85 -2.04 0.07 2.85 -0.76 -4.78 118.16 111.03 2jm5 n LYS 52 Ca 0.01 -0.02 -0.30 0.00 -1.05 0.00 0.00 58.31 56.95 2jm5 n LYS 52 Cb 0.42 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.32 2jm5 n LYS 52 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jm5 s SER 53 N -2.16 5.92 0.00 -5.58 0.01 -0.88 -5.00 113.70 106.00 2jm5 s SER 53 Ca 0.42 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.86 2jm5 s SER 53 Cb 0.21 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2jm5 s SER 53 CO 0.40 -1.00 0.61 2.29 0.41 0.00 0.00 173.24 175.95 2jm5 n LYS 54 N -2.74 0.00 -3.63 12.44 -0.00 -1.26 -5.02 118.16 117.94 2jm5 n LYS 54 Ca 0.05 -0.60 -0.39 0.00 -0.00 0.00 0.00 58.31 57.37 2jm5 n LYS 54 Cb 0.56 -0.47 -0.11 0.00 -0.00 0.00 0.00 35.03 35.00 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 -0.25 1.89 0.40 2.58 0.00 -1.26 -4.98 107.32 105.70 2jm5 s GLY 55 Ca 0.00 -1.51 0.10 0.00 0.00 0.00 0.00 44.72 43.30 2jm5 s GLY 55 CO 0.00 0.75 1.95 -2.55 0.00 0.00 0.00 173.10 173.26 2jm5 h PRO 56 N 8.38 0.27 -0.32 2.90 0.11 -2.00 -1.40 132.00 139.94 2jm5 h PRO 56 Ca -0.30 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.63 2jm5 h PRO 56 Cb 1.13 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2jm5 h PRO 56 CO 0.64 0.35 -0.34 -0.56 -0.21 0.00 0.00 178.00 177.87 2jm5 h GLN 57 N 0.26 0.72 -0.67 1.05 -0.00 -2.01 -2.79 115.11 111.67 2jm5 h GLN 57 Ca 0.06 -0.34 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 2jm5 h GLN 57 Cb 0.28 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 27.72 2jm5 h GLN 57 CO 0.01 0.95 0.44 0.37 -0.00 0.00 0.00 178.83 180.60 2jm5 h GLN 58 N 0.60 0.89 -0.48 0.06 5.75 -1.73 -2.18 115.11 118.03 2jm5 h GLN 58 Ca 0.06 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 2jm5 h GLN 58 Cb 0.87 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 29.16 2jm5 h GLN 58 CO 0.08 0.60 0.17 0.82 -2.65 0.00 0.00 178.83 177.84 2jm5 h ILE 59 N 0.92 0.83 0.04 2.39 1.08 -1.01 0.15 117.51 121.92 2jm5 h ILE 59 Ca 0.25 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.61 2jm5 h ILE 59 Cb -0.09 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 2jm5 h ILE 59 CO -0.05 0.06 -0.09 0.45 -0.69 0.00 0.00 178.15 177.83 2jm5 h HIS 60 N 0.34 -0.24 0.85 1.37 3.86 -1.40 0.18 115.15 120.11 2jm5 h HIS 60 Ca 0.23 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 2jm5 h HIS 60 Cb 0.24 0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.82 2jm5 h HIS 60 CO -0.16 -0.14 -0.41 -0.07 0.86 0.00 0.00 177.93 178.00 2jm5 h LEU 61 N -0.18 -0.97 -0.48 2.43 3.38 -1.40 -1.82 115.31 116.28 2jm5 h LEU 61 Ca 0.02 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2jm5 h LEU 61 Cb 0.20 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2jm5 h LEU 61 CO -0.07 -0.65 0.15 0.50 0.09 0.00 0.00 178.44 178.47 2jm5 h LYS 62 N -1.22 0.31 0.01 1.13 3.11 -0.66 -0.69 116.57 118.56 2jm5 h LYS 62 Ca -0.12 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.70 2jm5 h LYS 62 Cb 0.88 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.04 2jm5 h LYS 62 CO 0.19 0.20 -0.01 0.00 -2.81 0.00 0.00 179.45 177.03 2jm5 h ALA 63 N 1.33 -0.02 -0.03 5.00 0.00 -0.60 -2.22 119.26 122.72 2jm5 h ALA 63 Ca 0.23 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2jm5 h ALA 63 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jm5 h ALA 63 CO -0.25 -0.41 -0.29 0.87 0.00 0.00 0.00 179.25 179.17 2jm5 h LYS 64 N -0.22 0.05 0.07 0.00 1.57 -1.10 0.27 116.57 117.22 2jm5 h LYS 64 Ca -0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jm5 h LYS 64 Cb 0.21 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2jm5 h LYS 64 CO 0.00 0.34 -0.03 0.00 -0.57 0.00 0.00 179.45 179.19 2jm5 h ALA 65 N 1.66 -0.09 -0.50 3.86 0.00 -0.94 0.15 119.26 123.40 2jm5 h ALA 65 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jm5 h ALA 65 Cb 0.54 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2jm5 h ALA 65 CO 0.04 -0.51 0.19 0.82 0.00 0.00 0.00 179.25 179.79 2jm5 h ILE 66 N -0.18 1.22 0.32 0.00 2.04 -0.92 -1.96 117.51 118.03 2jm5 h ILE 66 Ca -0.01 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 2jm5 h ILE 66 Cb 0.15 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2jm5 h ILE 66 CO 0.02 0.25 -0.44 0.22 0.00 0.00 0.00 178.15 178.20 2jm5 h TYR 67 N 0.66 -1.25 0.00 1.37 3.20 -0.30 -0.48 116.97 120.17 2jm5 h TYR 67 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2jm5 h TYR 67 Cb 0.21 0.50 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2jm5 h TYR 67 CO 0.01 -0.56 0.00 0.93 -1.64 0.00 0.00 178.16 176.90 2jm5 h GLU 68 N -0.79 0.00 0.00 1.82 5.08 -0.64 0.42 114.58 120.46 2jm5 h GLU 68 Ca -0.04 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 2jm5 h GLU 68 Cb 0.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2jm5 h GLU 68 CO -0.12 0.00 -1.20 -0.22 -1.00 0.00 0.00 179.01 176.47 2jm5 h LYS 69 N 0.00 0.00 0.00 2.33 3.64 -1.12 -3.38 116.57 118.04 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 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2jm5 h LYS 69 CO 0.00 0.40 -0.00 1.19 -2.27 0.00 0.00 179.45 178.77 2jm5 n PHE 70 N -3.01 -1.91 0.20 1.91 3.72 -0.21 -3.02 117.46 115.15 2jm5 n PHE 70 Ca -0.07 0.34 0.05 0.00 -0.05 0.00 0.00 57.45 57.72 2jm5 n PHE 70 Cb 0.84 0.44 0.44 0.00 -0.94 0.00 0.00 39.48 40.25 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 1.08 -4.01 4.37 1.08 -0.71 -2.85 117.51 116.47 2jm5 h ILE 71 Ca 0.00 -1.10 -0.52 0.00 -0.39 0.00 0.00 64.86 62.85 2jm5 h ILE 71 Cb 0.00 1.61 0.09 0.00 -3.07 0.00 0.00 36.82 35.46 2jm5 h ILE 71 CO 0.00 0.30 0.54 -1.58 -0.69 0.00 0.00 178.15 176.72 2jm5 s GLN 72 N -4.17 3.59 -0.05 2.37 2.00 0.12 -4.92 119.66 118.60 2jm5 s GLN 72 Ca -0.03 1.98 -0.25 0.00 -2.00 0.00 0.00 55.36 55.06 2jm5 s GLN 72 Cb 0.14 -2.41 -0.22 0.00 0.80 0.00 0.00 33.01 31.31 2jm5 s GLN 72 CO 0.69 -0.75 1.06 1.15 -0.50 0.00 0.00 175.29 176.95 2jm5 h THR 73 N 1.83 1.54 -1.68 -0.34 2.02 -1.90 -3.31 112.91 111.06 2jm5 h THR 73 Ca -0.50 -1.78 -0.70 0.00 0.77 0.00 0.00 66.41 64.20 2jm5 h THR 73 Cb 1.26 2.67 -0.14 0.00 -1.74 0.00 0.00 68.15 70.20 2jm5 h THR 73 CO 0.60 0.48 1.59 -0.62 0.37 0.00 0.00 175.52 177.94 2jm5 s ASP 74 N -6.14 6.91 0.16 4.18 2.15 -1.26 -4.89 116.67 117.78 2jm5 s ASP 74 Ca -0.16 -2.60 0.08 0.00 0.43 0.00 0.00 52.55 50.29 2jm5 s ASP 74 Cb 0.01 -2.47 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2jm5 s ASP 74 CO 0.72 -0.97 -0.17 0.00 -0.17 0.00 0.00 175.17 174.57 2jm5 s ALA 75 N 2.82 1.92 0.48 3.66 0.00 -1.25 -4.97 121.76 124.43 2jm5 s ALA 75 Ca 0.46 -1.46 0.17 0.00 0.00 0.00 0.00 51.96 51.12 2jm5 s ALA 75 Cb -0.01 -0.16 1.19 0.00 0.00 0.00 0.00 23.12 24.14 2jm5 s ALA 75 CO 0.01 0.21 2.08 -1.00 0.00 0.00 0.00 175.76 177.05 2jm5 h PRO 76 N 3.28 0.00 0.00 0.00 0.13 -1.74 -3.36 132.00 130.31 2jm5 h PRO 76 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2jm5 h PRO 76 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jm5 h PRO 76 CO 0.51 0.10 -0.88 1.17 -0.23 0.00 0.00 178.00 178.66 2jm5 n LYS 77 N -4.34 0.00 -0.56 0.86 4.81 -1.17 -5.12 118.16 112.65 2jm5 n LYS 77 Ca -0.03 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.48 2jm5 n LYS 77 Cb 0.17 -0.88 -0.03 0.00 0.02 0.00 0.00 35.03 34.32 2jm5 n LYS 77 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jm5 n GLU 78 N -2.45 -1.21 -4.05 1.64 1.02 -1.18 -5.03 120.64 109.37 2jm5 n GLU 78 Ca 0.00 0.91 -0.11 0.00 -0.02 0.00 0.00 57.16 57.94 2jm5 n GLU 78 Cb 0.44 -1.45 -0.11 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.51 0.37 -0.17 2.62 1.01 -1.07 -4.81 120.40 115.84 2jm5 s VAL 79 Ca 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.76 2jm5 s VAL 79 Cb 0.00 -0.75 0.20 0.00 0.00 0.00 0.00 36.38 35.83 2jm5 s VAL 79 CO 0.00 -0.57 1.49 0.59 0.00 0.00 0.00 175.10 176.61 2jm5 n ASN 80 N 1.13 4.02 -4.80 3.32 4.13 -1.26 -4.93 115.26 116.87 2jm5 n ASN 80 Ca -0.21 -2.61 -0.35 0.00 1.68 0.00 0.00 54.58 53.09 2jm5 n ASN 80 Cb 0.56 -0.74 -0.06 0.00 -1.54 0.00 0.00 39.78 38.01 2jm5 n ASN 80 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2jm5 s LEU 81 N -1.12 4.11 0.12 3.41 2.96 -1.26 -4.97 118.68 121.93 2jm5 s LEU 81 Ca 0.19 1.83 -0.35 0.00 -0.22 0.00 0.00 54.13 55.58 2jm5 s LEU 81 Cb 0.16 -4.29 -0.17 0.00 0.50 0.00 0.00 46.19 42.39 2jm5 s LEU 81 CO 0.03 -0.32 1.23 -0.67 -1.32 0.00 0.00 176.35 175.30 2jm5 n ASP 82 N -0.14 1.32 -0.13 3.68 2.03 -1.26 -4.81 116.55 117.24 2jm5 n ASP 82 Ca 0.05 1.13 -0.04 0.00 0.52 0.00 0.00 54.79 56.46 2jm5 n ASP 82 Cb 0.52 -1.17 0.04 0.00 -0.72 0.00 0.00 41.12 39.78 2jm5 n ASP 82 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2jm5 h PHE 83 N 3.86 0.02 -0.02 -0.67 0.04 -1.99 -0.47 116.94 117.70 2jm5 h PHE 83 Ca -0.46 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.20 2jm5 h PHE 83 Cb 1.35 0.06 -0.02 0.00 2.20 0.00 0.00 35.95 39.54 2jm5 h PHE 83 CO 0.57 -0.07 -0.67 1.25 -0.60 0.00 0.00 178.31 178.79 2jm5 h HIS 84 N 0.14 0.14 0.03 -0.55 2.76 -1.98 -0.94 115.15 114.74 2jm5 h HIS 84 Ca 0.22 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2jm5 h HIS 84 Cb 0.30 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2jm5 h HIS 84 CO -0.26 0.74 -0.01 1.15 -1.30 0.00 0.00 177.93 178.24 2jm5 h THR 85 N 0.07 1.12 -0.20 6.26 2.02 -1.80 -0.41 112.91 119.98 2jm5 h THR 85 Ca -0.01 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 2jm5 h THR 85 Cb 1.19 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2jm5 h THR 85 CO 0.09 0.12 -0.10 0.07 0.37 0.00 0.00 175.52 176.07 2jm5 h LYS 86 N -0.25 0.32 0.12 6.66 5.09 -0.98 -2.10 116.57 125.43 2jm5 h LYS 86 Ca -0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 60.65 60.66 2jm5 h LYS 86 Cb 0.23 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.52 2jm5 h LYS 86 CO 0.01 0.43 -0.06 1.49 -2.09 0.00 0.00 179.45 179.23 2jm5 h GLU 87 N 0.30 -0.16 -0.90 0.07 4.81 -0.89 0.47 114.58 118.29 2jm5 h GLU 87 Ca 0.06 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2jm5 h GLU 87 Cb 0.37 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 2jm5 h GLU 87 CO 0.02 -0.10 0.59 0.28 -0.73 0.00 0.00 179.01 179.07 2jm5 h VAL 88 N -0.16 1.21 -0.56 0.32 2.07 -0.63 -1.85 116.25 116.64 2jm5 h VAL 88 Ca -0.02 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2jm5 h VAL 88 Cb 0.13 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 2jm5 h VAL 88 CO 0.03 0.22 0.07 0.40 0.02 0.00 0.00 177.57 178.30 2jm5 h ILE 89 N 1.19 1.26 0.00 4.57 2.04 -1.05 0.13 117.51 125.65 2jm5 h ILE 89 Ca 0.34 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 2jm5 h ILE 89 Cb -0.10 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2jm5 h ILE 89 CO -0.08 0.36 -0.02 0.71 0.00 0.00 0.00 178.15 179.12 2jm5 h THR 90 N 0.83 0.20 -0.01 -0.27 1.35 -0.16 0.71 112.91 115.56 2jm5 h THR 90 Ca 0.17 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2jm5 h THR 90 Cb 0.44 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2jm5 h THR 90 CO 0.02 0.02 -0.64 0.59 -0.25 0.00 0.00 175.52 175.26 2jm5 n ASN 91 N -3.32 1.36 0.00 5.36 3.02 -0.68 -4.46 115.26 116.54 2jm5 n ASN 91 Ca -0.02 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 2jm5 n ASN 91 Cb 0.14 0.74 0.00 0.00 -0.61 0.00 0.00 39.78 40.05 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 -0.75 1.17 0.20 6.41 7.64 0.37 -4.63 113.62 124.03 2jm5 n SER 92 Ca 0.06 -1.31 0.13 0.00 1.01 0.00 0.00 58.87 58.76 2jm5 n SER 92 Cb 0.35 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.86 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 0.24 0.00 -0.25 0.44 6.09 -1.13 -2.52 117.51 120.38 2jm5 h ILE 93 Ca 0.00 -0.78 0.07 0.00 -1.37 0.00 0.00 64.86 62.78 2jm5 h ILE 93 Cb 0.25 1.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.30 2jm5 h ILE 93 CO 0.00 0.00 0.19 0.00 -3.07 0.00 0.00 178.15 175.27 2jm5 h THR 94 N 0.00 0.77 -2.46 2.19 1.03 -1.84 -3.28 112.91 109.32 2jm5 h THR 94 Ca 0.00 0.00 -0.59 0.00 -0.01 0.00 0.00 66.41 65.81 2jm5 h THR 94 Cb 0.84 0.86 -0.39 0.00 -1.07 0.00 0.00 68.15 68.40 2jm5 h THR 94 CO 0.00 0.00 -0.92 -1.10 -0.01 0.00 0.00 175.52 173.49 2jm5 s GLN 95 N -4.94 1.11 0.60 0.00 -1.52 -0.95 -5.12 119.66 108.83 2jm5 s GLN 95 Ca -0.05 -2.27 -0.14 0.00 -1.95 0.00 0.00 55.36 50.96 2jm5 s GLN 95 Cb 0.18 -1.69 -0.04 0.00 -0.22 0.00 0.00 33.01 31.24 2jm5 s GLN 95 CO 0.66 -1.37 1.03 -1.25 -0.25 0.00 0.00 175.29 174.11 2jm5 s PRO 96 N -0.13 3.49 0.23 2.91 0.04 -1.24 -4.97 135.00 135.34 2jm5 s PRO 96 Ca 0.32 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2jm5 s PRO 96 Cb 0.02 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 2jm5 s PRO 96 CO -0.19 -0.65 0.29 2.41 0.04 0.00 0.00 177.00 178.90 2jm5 n THR 97 N -2.31 0.00 0.20 1.26 -1.04 -1.26 -4.87 114.28 106.26 2jm5 n THR 97 Ca 0.07 -1.28 0.17 0.00 -2.04 0.00 0.00 64.05 60.96 2jm5 n THR 97 Cb 0.54 0.75 0.82 0.00 -1.82 0.00 0.00 70.33 70.61 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 0.00 -5.87 -4.42 -0.00 -1.96 -2.92 115.31 100.13 2jm5 h LEU 98 Ca -0.17 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.16 2jm5 h LEU 98 Cb 0.79 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 41.04 2jm5 h LEU 98 CO 0.24 0.00 -0.94 1.41 -0.00 0.00 0.00 178.44 179.15 2jm5 n HIS 99 N -3.87 1.55 1.43 1.13 8.25 -1.26 -4.30 115.22 118.14 2jm5 n HIS 99 Ca 0.01 -3.85 0.14 0.00 -0.26 0.00 0.00 57.72 53.76 2jm5 n HIS 99 Cb 0.31 -0.44 0.74 0.00 1.12 0.00 0.00 29.99 31.72 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 0.54 0.00 -0.50 0.41 7.64 -1.11 -2.04 113.62 118.57 2jm5 n SER 100 Ca 0.26 -0.29 0.07 0.00 1.01 0.00 0.00 58.87 59.92 2jm5 n SER 100 Cb 0.52 -0.22 0.17 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.22 0.00 0.04 1.43 3.72 -1.26 -4.73 117.46 115.44 2jm5 n PHE 101 Ca 0.15 -1.26 -0.12 0.00 -0.05 0.00 0.00 57.45 56.18 2jm5 n PHE 101 Cb 0.19 -0.21 -0.05 0.00 -0.94 0.00 0.00 39.48 38.48 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 0.69 -0.99 0.28 4.37 3.58 -1.77 0.15 116.42 122.72 2jm5 h ASP 102 Ca -0.01 0.13 -0.19 0.00 0.42 0.00 0.00 57.03 57.39 2jm5 h ASP 102 Cb 1.06 0.41 -0.00 0.00 1.72 0.00 0.00 39.33 42.51 2jm5 h ASP 102 CO 0.01 -0.38 -0.74 0.00 -2.88 0.00 0.00 179.24 175.24 2jm5 h ALA 103 N 0.29 0.59 -0.34 -0.78 0.00 -1.89 -3.07 119.26 114.06 2jm5 h ALA 103 Ca 0.07 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2jm5 h ALA 103 Cb 0.56 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2jm5 h ALA 103 CO -0.30 0.77 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 2jm5 h ALA 104 N 0.94 1.32 -0.63 0.00 0.00 -1.77 0.17 119.26 119.28 2jm5 h ALA 104 Ca -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2jm5 h ALA 104 Cb 1.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2jm5 h ALA 104 CO 0.13 0.46 0.28 0.37 0.00 0.00 0.00 179.25 180.49 2jm5 h GLN 105 N 0.51 0.93 -0.22 0.00 4.15 -0.63 0.37 115.11 120.22 2jm5 h GLN 105 Ca 0.11 -0.15 -0.15 0.00 0.77 0.00 0.00 58.65 59.22 2jm5 h GLN 105 Cb 0.38 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2jm5 h GLN 105 CO 0.02 0.76 -0.48 0.77 -1.93 0.00 0.00 178.83 177.97 2jm5 h SER 106 N 0.88 0.64 0.42 -0.69 0.02 -1.36 -2.52 113.55 110.94 2jm5 h SER 106 Ca 0.21 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2jm5 h SER 106 Cb 0.16 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2jm5 h SER 106 CO -0.02 1.02 -0.20 0.03 -1.14 0.00 0.00 176.83 176.51 2jm5 h ARG 107 N 0.47 -0.54 -0.16 3.45 2.47 -0.19 -2.16 114.38 117.72 2jm5 h ARG 107 Ca 0.03 0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 2jm5 h ARG 107 Cb 1.01 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.44 2jm5 h ARG 107 CO 0.09 -0.30 -0.09 0.28 0.56 0.00 0.00 179.97 180.51 2jm5 h VAL 108 N -0.67 1.16 0.46 2.04 2.07 -0.99 0.52 116.25 120.84 2jm5 h VAL 108 Ca -0.06 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 2jm5 h VAL 108 Cb 0.49 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2jm5 h VAL 108 CO 0.09 0.22 -0.23 0.22 0.02 0.00 0.00 177.57 177.89 2jm5 h TYR 109 N 0.24 -0.59 -0.21 1.57 5.03 -1.31 0.10 116.97 121.81 2jm5 h TYR 109 Ca 0.05 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.25 2jm5 h TYR 109 Cb 0.31 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 2jm5 h TYR 109 CO 0.01 -0.36 -0.30 -0.56 -1.32 0.00 0.00 178.16 175.62 2jm5 h GLN 110 N -0.62 0.42 0.25 1.82 -0.00 -0.97 -1.74 115.11 114.27 2jm5 h GLN 110 Ca -0.06 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.65 58.41 2jm5 h GLN 110 Cb 0.48 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 2jm5 h GLN 110 CO 0.10 0.68 -0.12 1.25 -0.00 0.00 0.00 178.83 180.74 2jm5 h LEU 111 N 0.36 -0.29 -1.12 0.06 5.85 -0.76 -0.94 115.31 118.47 2jm5 h LEU 111 Ca 0.05 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2jm5 h LEU 111 Cb 0.72 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2jm5 h LEU 111 CO 0.05 -0.20 0.06 0.24 -0.34 0.00 0.00 178.44 178.26 2jm5 h MET 112 N -0.35 0.68 0.34 1.25 2.86 -0.61 -0.85 114.93 118.25 2jm5 h MET 112 Ca -0.03 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2jm5 h MET 112 Cb 0.27 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2jm5 h MET 112 CO 0.06 0.66 -0.22 1.49 1.06 0.00 0.00 176.91 179.95 2jm5 h GLU 113 N 0.66 -0.50 -0.28 1.72 4.22 -0.89 0.59 114.58 120.09 2jm5 h GLU 113 Ca 0.14 0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.56 2jm5 h GLU 113 Cb 0.32 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2jm5 h GLU 113 CO 0.00 -0.34 -0.08 -0.56 -2.18 0.00 0.00 179.01 175.85 2jm5 h GLN 114 N -0.52 0.46 0.00 1.92 3.07 -1.14 -1.67 115.11 117.23 2jm5 h GLN 114 Ca -0.04 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.58 2jm5 h GLN 114 Cb 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.93 2jm5 h GLN 114 CO 0.04 0.55 -0.33 0.22 0.09 0.00 0.00 178.83 179.40 2jm5 h ASP 115 N 0.43 0.00 0.20 0.06 3.58 -1.15 -3.40 116.42 116.14 2jm5 h ASP 115 Ca 0.09 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.18 2jm5 h ASP 115 Cb 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2jm5 h ASP 115 CO 0.02 0.55 -1.80 0.28 -2.88 0.00 0.00 179.24 175.41 2jm5 h SER 116 N -0.77 0.55 -0.51 2.28 0.02 -0.79 -3.31 113.55 111.02 2jm5 h SER 116 Ca 0.00 -0.90 -0.09 0.00 -0.84 0.00 0.00 61.79 59.96 2jm5 h SER 116 Cb 0.33 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2jm5 h SER 116 CO 0.00 1.77 -0.02 0.22 -1.14 0.00 0.00 176.83 177.67 2jm5 h TYR 117 N 0.10 1.03 -0.38 3.45 3.20 0.96 0.65 116.97 125.98 2jm5 h TYR 117 Ca -0.36 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.31 2jm5 h TYR 117 Cb 2.08 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 40.06 2jm5 h TYR 117 CO 0.09 0.93 0.10 1.79 -1.64 0.00 0.00 178.16 179.43 2jm5 h THR 118 N 0.88 1.23 -0.26 1.81 1.35 -1.63 1.00 112.91 117.27 2jm5 h THR 118 Ca 0.16 -0.77 -0.12 0.00 -0.55 0.00 0.00 66.41 65.13 2jm5 h THR 118 Cb 0.54 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 2jm5 h THR 118 CO 0.03 0.26 -0.35 0.03 -0.25 0.00 0.00 175.52 175.24 2jm5 h ARG 119 N 0.47 0.58 -0.10 4.72 3.08 -1.52 -2.49 114.38 119.12 2jm5 h ARG 119 Ca 0.12 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 59.92 2jm5 h ARG 119 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2jm5 h ARG 119 CO 0.00 0.85 -0.06 0.35 -1.07 0.00 0.00 179.97 180.04 2jm5 h PHE 120 N 0.49 -0.14 -0.45 3.04 3.57 0.59 0.23 116.94 124.27 2jm5 h PHE 120 Ca 0.05 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.66 2jm5 h PHE 120 Cb 0.84 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2jm5 h PHE 120 CO 0.03 -0.09 0.31 -0.07 -2.23 0.00 0.00 178.31 176.26 2jm5 h LEU 121 N -0.06 0.16 -1.96 0.59 3.38 -0.48 -0.29 115.31 116.66 2jm5 h LEU 121 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jm5 h LEU 121 Cb 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jm5 h LEU 121 CO -0.14 0.10 0.00 0.29 0.09 0.00 0.00 178.44 178.78 2jm5 n LYS 122 N -4.45 2.31 -2.05 1.13 4.76 -0.85 -4.47 118.16 114.53 2jm5 n LYS 122 Ca 0.07 -1.95 -0.30 0.00 -2.87 0.00 0.00 58.31 53.26 2jm5 n LYS 122 Cb 0.39 -1.46 0.01 0.00 -1.84 0.00 0.00 35.03 32.13 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 6.25 0.59 4.39 1.04 0.74 -4.86 113.70 119.92 2jm5 s SER 123 Ca 0.29 1.32 0.34 0.00 0.48 0.00 0.00 55.95 58.37 2jm5 s SER 123 Cb 0.20 -2.42 1.87 0.00 0.10 0.00 0.00 66.02 65.77 2jm5 s SER 123 CO 0.30 -0.80 2.22 0.44 0.98 0.00 0.00 173.24 176.38 2jm5 h ASP 124 N -0.16 0.00 0.42 7.02 5.19 -1.89 0.72 116.42 127.71 2jm5 h ASP 124 Ca -0.45 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.95 2jm5 h ASP 124 Cb 1.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2jm5 h ASP 124 CO 0.62 0.03 -0.32 0.40 -3.12 0.00 0.00 179.24 176.86 2jm5 h ILE 125 N 0.00 0.00 -0.09 0.35 1.08 -1.91 -0.14 117.51 116.80 2jm5 h ILE 125 Ca -0.00 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.29 2jm5 h ILE 125 Cb 0.13 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 2jm5 h ILE 125 CO 0.00 0.00 -0.69 0.22 -0.69 0.00 0.00 178.15 176.99 2jm5 h TYR 126 N -0.70 0.53 0.00 1.37 3.20 -1.48 -2.57 116.97 117.32 2jm5 h TYR 126 Ca -0.05 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.56 2jm5 h TYR 126 Cb 0.58 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2jm5 h TYR 126 CO -0.10 0.97 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.15 2jm5 h LEU 127 N 0.28 0.00 -0.50 2.82 3.38 -0.92 0.14 115.31 120.51 2jm5 h LEU 127 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2jm5 h LEU 127 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2jm5 h LEU 127 CO 0.12 0.17 -0.59 -0.78 0.09 0.00 0.00 178.44 177.45 2jm5 h ASP 128 N 0.00 0.58 0.42 -0.43 3.58 -0.72 0.44 116.42 120.29 2jm5 h ASP 128 Ca -0.00 -0.32 -0.08 0.00 0.42 0.00 0.00 57.03 57.05 2jm5 h ASP 128 Cb 0.30 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2jm5 h ASP 128 CO 0.02 1.04 -0.37 -0.07 -2.88 0.00 0.00 179.24 176.99 2jm5 h LEU 129 N 0.39 0.00 0.00 2.28 3.38 -0.80 -3.27 115.31 117.28 2jm5 h LEU 129 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jm5 h LEU 129 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2jm5 h LEU 129 CO 0.11 0.37 0.00 0.23 0.09 0.00 0.00 178.44 179.23 2jm5 n MET 130 N -4.00 0.00 -3.89 1.13 2.81 -0.10 -4.33 117.12 108.74 2jm5 n MET 130 Ca -0.02 0.35 -0.32 0.00 -1.81 0.00 0.00 57.70 55.91 2jm5 n MET 130 Cb 0.41 -1.09 0.01 0.00 -0.71 0.00 0.00 33.22 31.84 2jm5 n MET 130 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2jm5 n GLU 131 N -1.56 -1.86 0.14 0.03 2.13 0.11 -4.73 120.64 114.90 2jm5 n GLU 131 Ca 0.00 0.35 -0.15 0.00 0.66 0.00 0.00 57.16 58.02 2jm5 n GLU 131 Cb 0.00 -3.99 -0.08 0.00 0.27 0.00 0.00 31.44 27.64 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2jm5 h GLY 132 N -1.99 -0.94 -5.63 8.31 0.00 -1.92 -3.48 103.07 97.42 2jm5 h GLY 132 Ca -0.66 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2jm5 h GLY 132 CO 0.56 -0.28 -0.94 -2.13 0.00 0.00 0.00 176.54 173.74 2jm5 n ARG 133 N -5.48 -2.55 0.00 4.80 3.00 -1.26 -5.19 116.66 109.97 2jm5 n ARG 133 Ca -0.08 2.16 0.01 0.00 -0.00 0.00 0.00 57.85 59.94 2jm5 n ARG 133 Cb 0.39 -3.24 0.08 0.00 0.00 0.00 0.00 32.46 29.69 2jm5 n ARG 133 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33