#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 3.64 -0.07 1.43 1.75 -1.26 -5.00 119.30 119.79 2jm5 s MET 2 Ca 0.00 -2.54 0.01 0.00 -1.25 0.00 0.00 55.69 51.91 2jm5 s MET 2 Cb 0.00 -4.42 0.02 0.00 2.84 0.00 0.00 34.83 33.27 2jm5 s MET 2 CO 0.00 -1.28 -0.07 0.54 -0.65 0.00 0.00 175.02 173.56 2jm5 s VAL 3 N 0.02 0.78 0.47 10.11 0.11 -1.26 -4.97 120.40 125.66 2jm5 s VAL 3 Ca 0.19 -0.22 -0.20 0.00 -2.93 0.00 0.00 61.98 58.82 2jm5 s VAL 3 Cb -0.10 -0.78 -0.09 0.00 -1.53 0.00 0.00 36.38 33.87 2jm5 s VAL 3 CO -0.09 0.29 0.99 -0.44 -3.33 0.00 0.00 175.10 172.53 2jm5 s SER 4 N 1.13 6.61 0.55 3.54 0.01 -1.26 -4.87 113.70 119.42 2jm5 s SER 4 Ca -0.07 1.76 0.27 0.00 1.31 0.00 0.00 55.95 59.21 2jm5 s SER 4 Cb -0.14 -2.54 1.45 0.00 0.21 0.00 0.00 66.02 65.00 2jm5 s SER 4 CO -0.01 -0.59 1.98 -0.65 0.41 0.00 0.00 173.24 174.38 2jm5 h PRO 5 N 1.53 0.00 -0.01 12.44 0.11 -1.86 0.71 132.00 144.91 2jm5 h PRO 5 Ca -0.49 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 2jm5 h PRO 5 Cb 1.20 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 2jm5 h PRO 5 CO 0.60 0.00 -0.83 0.93 -0.21 0.00 0.00 178.00 178.49 2jm5 h GLU 6 N 0.00 0.59 -0.36 1.05 3.07 -1.92 0.11 114.58 117.12 2jm5 h GLU 6 Ca 0.23 -0.61 -0.07 0.00 -0.50 0.00 0.00 59.36 58.42 2jm5 h GLU 6 Cb 1.02 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 29.08 2jm5 h GLU 6 CO -0.00 1.22 -0.06 1.49 -1.40 0.00 0.00 179.01 180.26 2jm5 h GLU 7 N 0.19 0.59 -0.19 2.33 4.57 -1.52 -2.65 114.58 117.90 2jm5 h GLU 7 Ca -0.10 -0.15 -0.19 0.00 -1.18 0.00 0.00 59.36 57.74 2jm5 h GLU 7 Cb 1.50 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 30.03 2jm5 h GLU 7 CO 0.16 0.65 -0.62 0.00 -1.18 0.00 0.00 179.01 178.03 2jm5 h ALA 8 N 1.39 0.34 0.00 2.92 0.00 -0.75 -3.08 119.26 120.08 2jm5 h ALA 8 Ca 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2jm5 h ALA 8 Cb 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jm5 h ALA 8 CO 0.02 0.60 -0.05 -0.39 0.00 0.00 0.00 179.25 179.43 2jm5 h VAL 9 N 0.49 0.63 -0.89 0.00 -1.51 -0.46 -0.34 116.25 114.16 2jm5 h VAL 9 Ca -0.02 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 2jm5 h VAL 9 Cb 1.24 1.13 -0.04 0.00 -2.13 0.00 0.00 31.29 31.49 2jm5 h VAL 9 CO 0.13 0.05 0.57 0.11 -1.23 0.00 0.00 177.57 177.20 2jm5 h LYS 10 N 0.00 1.18 0.00 5.19 1.79 -1.39 -2.68 116.57 120.66 2jm5 h LYS 10 Ca -0.00 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2jm5 h LYS 10 Cb 0.13 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.51 2jm5 h LYS 10 CO 0.01 0.80 -0.12 -1.49 -1.08 0.00 0.00 179.45 177.56 2jm5 h TRP 11 N 1.21 0.00 0.00 -1.35 6.55 -1.10 -2.85 115.95 118.41 2jm5 h TRP 11 Ca 0.32 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.16 2jm5 h TRP 11 Cb -0.11 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.19 2jm5 h TRP 11 CO 0.00 0.12 -0.01 0.78 -1.05 0.00 0.00 178.44 178.28 2jm5 h GLY 12 N 0.48 0.00 1.31 1.49 0.00 -1.50 -2.67 103.07 102.18 2jm5 h GLY 12 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2jm5 h GLY 12 CO 0.02 0.00 -1.30 1.05 0.00 0.00 0.00 176.54 176.30 2jm5 h GLU 13 N 0.00 0.00 -2.39 4.80 4.11 -1.66 -3.46 114.58 115.98 2jm5 h GLU 13 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2jm5 h GLU 13 Cb 0.35 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.35 2jm5 h GLU 13 CO 0.00 0.51 -0.29 -1.12 0.07 0.00 0.00 179.01 178.18 2jm5 s SER 14 N -6.14 -0.51 0.44 3.06 0.01 -1.01 -5.00 113.70 104.54 2jm5 s SER 14 Ca -0.02 1.14 0.11 0.00 1.31 0.00 0.00 55.95 58.49 2jm5 s SER 14 Cb 0.09 1.49 0.99 0.00 0.21 0.00 0.00 66.02 68.80 2jm5 s SER 14 CO 0.81 -0.23 2.03 0.15 0.41 0.00 0.00 173.24 176.42 2jm5 h PHE 15 N 7.95 0.41 -0.47 2.43 3.57 -1.90 -1.71 116.94 127.22 2jm5 h PHE 15 Ca -0.19 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.35 2jm5 h PHE 15 Cb 1.12 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 2jm5 h PHE 15 CO 0.24 0.23 0.26 0.22 -2.23 0.00 0.00 178.31 177.04 2jm5 h ASP 16 N 0.42 0.41 1.65 0.41 3.58 -1.94 0.16 116.42 121.10 2jm5 h ASP 16 Ca 0.19 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 2jm5 h ASP 16 Cb 0.23 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2jm5 h ASP 16 CO -0.05 0.29 -0.22 0.07 -2.88 0.00 0.00 179.24 176.46 2jm5 h LYS 17 N 0.53 0.00 0.19 0.28 2.10 -1.67 0.43 116.57 118.42 2jm5 h LYS 17 Ca 0.20 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.84 2jm5 h LYS 17 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2jm5 h LYS 17 CO -0.11 0.22 -0.09 1.25 -2.00 0.00 0.00 179.45 178.72 2jm5 h LEU 18 N 0.00 -0.21 -0.78 7.07 5.85 -1.03 -3.05 115.31 123.15 2jm5 h LEU 18 Ca -0.00 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.38 2jm5 h LEU 18 Cb 1.10 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2jm5 h LEU 18 CO 0.03 0.09 -0.58 0.25 -0.34 0.00 0.00 178.44 177.89 2jm5 h LEU 19 N -0.54 0.09 -0.00 2.25 5.85 -0.54 -2.30 115.31 120.12 2jm5 h LEU 19 Ca -0.03 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2jm5 h LEU 19 Cb 0.41 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2jm5 h LEU 19 CO 0.04 0.65 0.00 -1.20 -0.34 0.00 0.00 178.44 177.60 2jm5 n SER 20 N -3.86 0.16 -4.64 1.25 7.64 0.13 -4.23 113.62 110.07 2jm5 n SER 20 Ca -0.02 0.52 -0.39 0.00 1.01 0.00 0.00 58.87 59.99 2jm5 n SER 20 Cb 0.59 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 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 -3.02 3.33 0.30 1.43 5.65 -0.90 -4.95 115.29 117.13 2jm5 s HIS 21 Ca 0.13 0.63 -0.01 0.00 0.25 0.00 0.00 55.06 56.06 2jm5 s HIS 21 Cb 0.18 -2.62 0.49 0.00 -1.18 0.00 0.00 32.58 29.45 2jm5 s HIS 21 CO 0.54 -0.13 1.95 -0.09 -0.65 0.00 0.00 174.74 176.35 2jm5 h ARG 22 N 7.68 1.04 0.00 2.88 2.43 -1.82 0.44 114.38 127.02 2jm5 h ARG 22 Ca -0.33 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 2jm5 h ARG 22 Cb 1.15 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2jm5 h ARG 22 CO 0.71 0.69 -0.08 -0.44 -1.51 0.00 0.00 179.97 179.34 2jm5 h ASP 23 N 1.07 0.00 0.13 -3.80 3.32 -1.92 -0.03 116.42 115.18 2jm5 h ASP 23 Ca 0.34 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.03 2jm5 h ASP 23 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2jm5 h ASP 23 CO -0.10 0.08 -1.93 1.23 -1.72 0.00 0.00 179.24 176.81 2jm5 h GLY 24 N 1.66 0.30 0.61 2.75 0.00 -0.85 -1.41 103.07 106.14 2jm5 h GLY 24 Ca -0.00 -0.78 0.09 0.00 0.00 0.00 0.00 47.33 46.64 2jm5 h GLY 24 CO 0.01 0.68 0.61 -2.00 0.00 0.00 0.00 176.54 175.84 2jm5 h LEU 25 N 0.01 0.93 -0.48 3.11 6.46 0.10 0.15 115.31 125.60 2jm5 h LEU 25 Ca -0.41 0.03 -0.16 0.00 -0.12 0.00 0.00 57.88 57.22 2jm5 h LEU 25 Cb 2.00 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.76 2jm5 h LEU 25 CO 0.08 0.55 -0.52 -0.08 -0.62 0.00 0.00 178.44 177.86 2jm5 h GLU 26 N 1.04 0.66 -0.40 1.25 4.81 -1.06 0.40 114.58 121.28 2jm5 h GLU 26 Ca 0.45 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2jm5 h GLU 26 Cb 0.31 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2jm5 h GLU 26 CO -0.22 1.02 0.17 0.00 -0.73 0.00 0.00 179.01 179.25 2jm5 h ALA 27 N 0.91 0.53 -0.20 2.92 0.00 -0.08 -1.41 119.26 121.91 2jm5 h ALA 27 Ca 0.02 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 2jm5 h ALA 27 Cb 1.07 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jm5 h ALA 27 CO 0.10 0.12 -0.69 0.35 0.00 0.00 0.00 179.25 179.14 2jm5 h PHE 28 N 0.51 1.09 -0.53 0.00 3.57 -0.67 -2.68 116.94 118.24 2jm5 h PHE 28 Ca 0.14 -0.44 -0.04 0.00 3.53 0.00 0.00 57.97 61.15 2jm5 h PHE 28 Cb 0.18 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2jm5 h PHE 28 CO -0.00 1.28 0.16 0.00 -2.23 0.00 0.00 178.31 177.51 2jm5 h THR 29 N 0.58 1.23 -0.28 4.41 1.03 -0.06 0.35 112.91 120.18 2jm5 h THR 29 Ca -0.03 -0.80 -0.10 0.00 -0.01 0.00 0.00 66.41 65.47 2jm5 h THR 29 Cb 1.31 0.76 -0.01 0.00 -1.07 0.00 0.00 68.15 69.14 2jm5 h THR 29 CO 0.15 0.29 -0.25 0.08 -0.01 0.00 0.00 175.52 175.78 2jm5 h ARG 30 N 0.73 0.54 -0.77 0.00 0.11 -1.30 0.61 114.38 114.29 2jm5 h ARG 30 Ca 0.17 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2jm5 h ARG 30 Cb 0.29 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 31.30 2jm5 h ARG 30 CO -0.00 0.74 0.49 0.35 0.10 0.00 0.00 179.97 181.65 2jm5 h PHE 31 N 0.47 0.99 0.06 4.08 3.57 -1.09 0.79 116.94 125.82 2jm5 h PHE 31 Ca 0.07 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.31 2jm5 h PHE 31 Cb 0.68 -0.33 0.02 0.00 2.79 0.00 0.00 35.95 39.11 2jm5 h PHE 31 CO 0.02 0.64 -1.12 1.25 -2.23 0.00 0.00 178.31 176.88 2jm5 h LEU 32 N 1.05 0.74 -0.67 0.59 5.85 -0.30 -3.31 115.31 119.26 2jm5 h LEU 32 Ca 0.28 -0.64 -0.09 0.00 0.84 0.00 0.00 57.88 58.27 2jm5 h LEU 32 Cb -0.08 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 2jm5 h LEU 32 CO -0.06 1.46 0.04 0.50 -0.34 0.00 0.00 178.44 180.04 2jm5 h LYS 33 N 0.27 1.07 0.00 1.25 3.64 0.52 0.15 116.57 123.46 2jm5 h LYS 33 Ca -0.14 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 58.88 2jm5 h LYS 33 Cb 1.78 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 2jm5 h LYS 33 CO 0.21 1.02 -0.19 0.00 -2.27 0.00 0.00 179.45 178.22 2jm5 h THR 34 N 0.98 0.99 -0.39 1.00 1.03 -0.93 -0.58 112.91 115.00 2jm5 h THR 34 Ca 0.18 -0.68 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 2jm5 h THR 34 Cb 0.51 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 2jm5 h THR 34 CO 0.02 0.18 0.00 -1.84 -0.01 0.00 0.00 175.52 173.88 2jm5 n GLU 35 N -4.10 2.47 -1.75 0.00 0.28 -1.07 -4.94 120.64 111.53 2jm5 n GLU 35 Ca -0.02 -2.22 -0.15 0.00 -0.16 0.00 0.00 57.16 54.60 2jm5 n GLU 35 Cb 0.26 -1.51 -0.04 0.00 1.43 0.00 0.00 31.44 31.58 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 1.42 -0.26 0.46 -1.84 3.72 -0.23 -4.86 117.46 115.87 2jm5 n PHE 36 Ca 0.19 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.69 2jm5 n PHE 36 Cb 0.59 -2.87 0.26 0.00 -0.94 0.00 0.00 39.48 36.52 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 -0.64 2.79 0.02 4.37 7.64 0.46 -4.39 113.62 123.87 2jm5 n SER 37 Ca -0.16 -1.95 0.21 0.00 1.01 0.00 0.00 58.87 57.98 2jm5 n SER 37 Cb 0.55 -0.29 0.73 0.00 -1.01 0.00 0.00 64.21 64.19 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 3.26 0.00 -0.48 1.43 4.11 -1.79 -2.72 114.58 118.39 2jm5 h GLU 38 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.57 2jm5 h GLU 38 Cb 0.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2jm5 h GLU 38 CO 0.00 0.00 0.52 1.05 0.07 0.00 0.00 179.01 180.65 2jm5 h GLU 39 N 0.00 0.00 0.08 1.06 4.11 -1.91 0.32 114.58 118.24 2jm5 h GLU 39 Ca 0.24 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.67 2jm5 h GLU 39 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jm5 h GLU 39 CO -0.00 0.00 -0.04 -0.91 0.07 0.00 0.00 179.01 178.13 2jm5 h ASN 40 N 0.00 -0.09 -0.22 3.06 2.35 -1.86 -0.11 115.58 118.70 2jm5 h ASN 40 Ca 0.23 -0.49 -0.11 0.00 -0.55 0.00 0.00 56.30 55.37 2jm5 h ASN 40 Cb 1.27 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 2jm5 h ASN 40 CO -0.00 0.57 -0.25 -0.29 -1.65 0.00 0.00 177.43 175.80 2jm5 h ILE 41 N -0.89 1.27 -0.00 2.81 2.10 -1.50 -1.56 117.51 119.74 2jm5 h ILE 41 Ca -0.01 -1.36 0.00 0.00 1.08 0.00 0.00 64.86 64.57 2jm5 h ILE 41 Cb 0.58 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 2jm5 h ILE 41 CO 0.02 0.45 -0.05 -0.62 -1.08 0.00 0.00 178.15 176.87 2jm5 n GLU 42 N -4.10 0.32 0.36 2.19 1.02 0.10 -0.85 120.64 119.68 2jm5 n GLU 42 Ca -0.00 -0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 56.94 2jm5 n GLU 42 Cb 0.44 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.09 -0.87 0.00 -0.32 3.57 0.04 -1.91 116.94 117.55 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 0.37 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2jm5 h PHE 43 CO 0.00 -0.52 -0.12 0.11 -2.23 0.00 0.00 178.31 175.55 2jm5 h TRP 44 N -1.18 0.00 -0.22 0.41 5.08 -1.36 -2.29 115.95 116.39 2jm5 h TRP 44 Ca -0.10 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.80 2jm5 h TRP 44 Cb 0.74 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.89 2jm5 h TRP 44 CO 0.00 0.00 -0.17 0.82 -1.28 0.00 0.00 178.44 177.81 2jm5 h ILE 45 N 0.00 1.23 -0.41 0.12 2.04 -1.06 0.19 117.51 119.62 2jm5 h ILE 45 Ca 0.00 -1.03 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 2jm5 h ILE 45 Cb 0.82 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2jm5 h ILE 45 CO 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 178.15 178.31 2jm5 h ALA 46 N 1.47 0.94 -0.12 1.87 0.00 -0.93 -0.71 119.26 121.77 2jm5 h ALA 46 Ca 0.06 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 2jm5 h ALA 46 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jm5 h ALA 46 CO 0.03 0.62 -0.34 0.00 0.00 0.00 0.00 179.25 179.56 2jm5 h GLU 48 N 0.21 0.30 -0.58 0.00 5.08 -0.37 0.13 114.58 119.34 2jm5 h GLU 48 Ca 0.03 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 2jm5 h GLU 48 Cb 0.71 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2jm5 h GLU 48 CO 0.05 1.00 0.17 0.22 -1.00 0.00 0.00 179.01 179.45 2jm5 h ASP 49 N 0.18 0.82 0.25 1.42 3.58 -0.57 0.19 116.42 122.28 2jm5 h ASP 49 Ca -0.05 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2jm5 h ASP 49 Cb 1.48 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2jm5 h ASP 49 CO 0.14 0.78 -0.12 0.15 -2.88 0.00 0.00 179.24 177.31 2jm5 h PHE 50 N 0.85 -0.32 -0.15 0.28 3.57 -0.21 -2.40 116.94 118.57 2jm5 h PHE 50 Ca 0.19 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 2jm5 h PHE 50 Cb 0.26 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2jm5 h PHE 50 CO 0.02 -0.11 -0.42 -0.22 -2.23 0.00 0.00 178.31 175.36 2jm5 h LYS 51 N -0.47 0.34 0.00 1.11 3.11 -0.64 -1.97 116.57 118.05 2jm5 h LYS 51 Ca -0.03 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.64 2jm5 h LYS 51 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2jm5 h LYS 51 CO 0.06 0.70 0.00 1.57 -2.81 0.00 0.00 179.45 178.97 2jm5 h LYS 52 N 0.28 0.00 -2.76 1.90 2.10 -0.63 -3.04 116.57 114.42 2jm5 h LYS 52 Ca 0.02 0.00 -0.75 0.00 -2.00 0.00 0.00 60.65 57.93 2jm5 h LYS 52 Cb 0.85 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.05 2jm5 h LYS 52 CO 0.07 0.00 2.31 0.43 -2.00 0.00 0.00 179.45 180.26 2jm5 n SER 53 N -2.44 7.53 -0.69 7.07 7.64 -0.74 -4.79 113.62 127.20 2jm5 n SER 53 Ca 0.03 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.76 2jm5 n SER 53 Cb 0.32 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 2jm5 n SER 53 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jm5 n LYS 54 N 2.03 0.53 -3.51 1.43 -0.00 -1.15 -4.41 118.16 113.08 2jm5 n LYS 54 Ca 0.58 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.50 2jm5 n LYS 54 Cb 0.27 -1.25 -0.10 0.00 -0.00 0.00 0.00 35.03 33.94 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 0.08 1.93 0.55 2.58 0.00 -1.26 -4.96 107.32 106.23 2jm5 s GLY 55 Ca 0.00 -1.14 0.27 0.00 0.00 0.00 0.00 44.72 43.85 2jm5 s GLY 55 CO 0.00 0.79 1.98 -2.55 0.00 0.00 0.00 173.10 173.32 2jm5 h PRO 56 N 8.39 0.00 -0.14 2.90 0.11 -2.00 0.19 132.00 141.45 2jm5 h PRO 56 Ca -0.33 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.79 2jm5 h PRO 56 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2jm5 h PRO 56 CO 0.61 0.00 0.06 1.96 -0.21 0.00 0.00 178.00 180.42 2jm5 h GLN 57 N 0.00 0.14 -0.60 1.05 4.20 -1.93 -2.52 115.11 115.46 2jm5 h GLN 57 Ca 0.24 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.89 2jm5 h GLN 57 Cb 1.04 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 2jm5 h GLN 57 CO -0.00 0.09 0.16 1.96 -0.67 0.00 0.00 178.83 180.37 2jm5 h GLN 58 N 0.14 0.92 -0.42 1.46 1.08 -1.27 -3.10 115.11 113.93 2jm5 h GLN 58 Ca 0.06 -0.19 0.08 0.00 -1.45 0.00 0.00 58.65 57.15 2jm5 h GLN 58 Cb 0.01 -0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 27.23 2jm5 h GLN 58 CO -0.04 0.81 -0.12 0.82 -0.95 0.00 0.00 178.83 179.35 2jm5 h ILE 59 N 0.89 0.56 -0.65 2.54 1.08 -0.96 0.45 117.51 121.41 2jm5 h ILE 59 Ca 0.19 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.71 2jm5 h ILE 59 Cb 0.30 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 2jm5 h ILE 59 CO -0.00 0.00 0.37 0.45 -0.69 0.00 0.00 178.15 178.28 2jm5 h HIS 60 N -0.02 0.68 0.34 1.37 3.86 -1.44 0.61 115.15 120.56 2jm5 h HIS 60 Ca 0.20 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 2jm5 h HIS 60 Cb 0.32 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2jm5 h HIS 60 CO -0.38 0.35 -0.16 -0.07 0.86 0.00 0.00 177.93 178.53 2jm5 h LEU 61 N 0.70 -0.39 -0.54 2.43 3.38 -1.32 -2.73 115.31 116.84 2jm5 h LEU 61 Ca 0.28 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.37 2jm5 h LEU 61 Cb 0.13 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 2jm5 h LEU 61 CO -0.15 -0.05 -0.05 0.11 0.09 0.00 0.00 178.44 178.39 2jm5 h LYS 62 N -0.92 0.07 -0.05 1.13 1.79 -0.12 0.48 116.57 118.95 2jm5 h LYS 62 Ca -0.05 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2jm5 h LYS 62 Cb 0.35 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2jm5 h LYS 62 CO 0.08 0.04 0.01 0.00 -1.08 0.00 0.00 179.45 178.50 2jm5 h ALA 63 N 1.51 0.06 -0.12 3.86 0.00 -0.98 -1.02 119.26 122.57 2jm5 h ALA 63 Ca 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2jm5 h ALA 63 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jm5 h ALA 63 CO -0.50 -0.32 -0.04 -0.22 0.00 0.00 0.00 179.25 178.17 2jm5 h LYS 64 N -0.13 0.17 0.45 0.00 1.63 -1.11 0.55 116.57 118.12 2jm5 h LYS 64 Ca 0.02 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2jm5 h LYS 64 Cb 0.23 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2jm5 h LYS 64 CO -0.00 0.23 -0.22 0.00 -3.45 0.00 0.00 179.45 176.01 2jm5 h ALA 65 N 1.79 -0.61 -0.16 5.00 0.00 -0.59 -2.77 119.26 121.93 2jm5 h ALA 65 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2jm5 h ALA 65 Cb 0.19 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jm5 h ALA 65 CO 0.01 -0.67 0.07 0.82 0.00 0.00 0.00 179.25 179.48 2jm5 h ILE 66 N -0.96 1.06 0.59 0.00 2.04 -0.95 -1.64 117.51 117.66 2jm5 h ILE 66 Ca -0.06 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 2jm5 h ILE 66 Cb 0.58 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2jm5 h ILE 66 CO 0.10 0.07 -0.42 0.22 0.00 0.00 0.00 178.15 178.13 2jm5 h TYR 67 N 0.22 -1.12 0.00 1.37 3.20 -0.88 -0.41 116.97 119.34 2jm5 h TYR 67 Ca 0.06 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2jm5 h TYR 67 Cb 0.04 0.41 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 2jm5 h TYR 67 CO 0.00 -0.60 -0.07 0.93 -1.64 0.00 0.00 178.16 176.79 2jm5 h GLU 68 N -0.96 0.00 0.04 1.82 5.08 -1.17 0.77 114.58 120.15 2jm5 h GLU 68 Ca -0.08 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.05 2jm5 h GLU 68 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2jm5 h GLU 68 CO 0.04 0.07 -1.14 -0.22 -1.00 0.00 0.00 179.01 176.76 2jm5 h LYS 69 N 0.00 0.08 0.00 2.33 1.63 -1.21 -3.39 116.57 116.00 2jm5 h LYS 69 Ca -0.00 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2jm5 h LYS 69 Cb 0.63 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 2jm5 h LYS 69 CO 0.01 1.02 -0.07 1.19 -3.45 0.00 0.00 179.45 178.15 2jm5 n PHE 70 N -3.37 -1.25 0.30 1.91 3.72 -0.17 -2.99 117.46 115.60 2jm5 n PHE 70 Ca -0.04 0.22 0.16 0.00 -0.05 0.00 0.00 57.45 57.74 2jm5 n PHE 70 Cb 0.97 0.47 0.93 0.00 -0.94 0.00 0.00 39.48 40.92 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 0.45 -4.16 4.37 1.08 -0.80 -2.04 117.51 116.40 2jm5 h ILE 71 Ca 0.00 -0.10 -0.49 0.00 -0.39 0.00 0.00 64.86 63.88 2jm5 h ILE 71 Cb 0.07 1.06 0.06 0.00 -3.07 0.00 0.00 36.82 34.95 2jm5 h ILE 71 CO 0.00 0.02 0.38 -1.10 -0.69 0.00 0.00 178.15 176.76 2jm5 s GLN 72 N -4.47 3.32 -0.10 2.37 -1.52 -0.45 -4.84 119.66 113.97 2jm5 s GLN 72 Ca -0.05 1.31 -0.16 0.00 -1.95 0.00 0.00 55.36 54.51 2jm5 s GLN 72 Cb 0.14 -2.03 -0.28 0.00 -0.22 0.00 0.00 33.01 30.63 2jm5 s GLN 72 CO 0.53 -0.82 0.59 1.15 -0.25 0.00 0.00 175.29 176.49 2jm5 h THR 73 N 0.65 1.08 -0.40 -0.19 2.02 -1.92 -3.26 112.91 110.89 2jm5 h THR 73 Ca -0.48 -2.41 -0.16 0.00 0.77 0.00 0.00 66.41 64.13 2jm5 h THR 73 Cb 1.23 2.76 -0.10 0.00 -1.74 0.00 0.00 68.15 70.30 2jm5 h THR 73 CO 0.57 0.70 0.21 -0.90 0.37 0.00 0.00 175.52 176.47 2jm5 n ASP 74 N -3.95 3.29 -4.85 4.18 5.75 -1.26 -4.70 116.55 115.02 2jm5 n ASP 74 Ca -0.24 -2.64 -0.31 0.00 -0.01 0.00 0.00 54.79 51.59 2jm5 n ASP 74 Cb 0.89 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 2jm5 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jm5 s ALA 75 N -1.60 2.99 0.45 2.12 0.00 -1.23 -4.95 121.76 119.54 2jm5 s ALA 75 Ca 0.26 0.06 0.29 0.00 0.00 0.00 0.00 51.96 52.56 2jm5 s ALA 75 Cb 0.21 -3.12 1.55 0.00 0.00 0.00 0.00 23.12 21.76 2jm5 s ALA 75 CO 0.06 -0.66 2.11 -1.00 0.00 0.00 0.00 175.76 176.27 2jm5 h PRO 76 N 0.03 0.00 0.00 0.00 0.13 -1.76 -3.24 132.00 127.17 2jm5 h PRO 76 Ca -0.45 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.25 2jm5 h PRO 76 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2jm5 h PRO 76 CO 0.61 0.09 -2.44 1.63 -0.23 0.00 0.00 178.00 177.66 2jm5 n LYS 77 N -3.63 0.54 -2.26 0.86 4.76 -1.16 -5.11 118.16 112.16 2jm5 n LYS 77 Ca -0.02 0.24 -0.03 0.00 -2.87 0.00 0.00 58.31 55.63 2jm5 n LYS 77 Cb 0.21 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 31.96 2jm5 n LYS 77 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2jm5 n GLU 78 N -4.15 -3.89 -3.27 1.97 2.13 -1.23 -4.99 120.64 107.21 2jm5 n GLU 78 Ca -0.51 2.98 -0.37 0.00 0.66 0.00 0.00 57.16 59.92 2jm5 n GLU 78 Cb 0.86 -4.13 -0.06 0.00 0.27 0.00 0.00 31.44 28.38 2jm5 n GLU 78 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jm5 s VAL 79 N -0.51 4.74 0.00 6.31 1.01 -0.77 -4.94 120.40 126.24 2jm5 s VAL 79 Ca -0.15 1.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.93 2jm5 s VAL 79 Cb 0.01 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2jm5 s VAL 79 CO 0.40 0.39 2.07 0.59 0.00 0.00 0.00 175.10 178.54 2jm5 n ASN 80 N 1.23 4.85 -4.78 3.32 3.02 -1.26 -4.90 115.26 116.74 2jm5 n ASN 80 Ca -0.07 -2.30 -0.37 0.00 -0.03 0.00 0.00 54.58 51.81 2jm5 n ASN 80 Cb 0.51 -1.07 -0.06 0.00 -0.61 0.00 0.00 39.78 38.55 2jm5 n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jm5 s LEU 81 N 0.00 4.28 0.30 3.41 2.96 -1.26 -4.98 118.68 123.39 2jm5 s LEU 81 Ca 0.10 1.87 -0.29 0.00 -0.22 0.00 0.00 54.13 55.59 2jm5 s LEU 81 Cb 0.05 -4.08 -0.13 0.00 0.50 0.00 0.00 46.19 42.53 2jm5 s LEU 81 CO 0.00 -0.16 1.21 -0.67 -1.32 0.00 0.00 176.35 175.41 2jm5 n ASP 82 N 0.38 2.21 0.12 3.68 2.03 -1.26 -4.82 116.55 118.88 2jm5 n ASP 82 Ca 0.03 1.18 -0.14 0.00 0.52 0.00 0.00 54.79 56.38 2jm5 n ASP 82 Cb 0.50 -1.40 -0.07 0.00 -0.72 0.00 0.00 41.12 39.43 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 2.70 -1.16 -0.38 -0.67 0.04 -1.99 -0.11 116.94 115.38 2jm5 h PHE 83 Ca -0.44 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.33 2jm5 h PHE 83 Cb 1.30 0.49 -0.02 0.00 2.20 0.00 0.00 35.95 39.93 2jm5 h PHE 83 CO 0.51 -0.51 0.10 1.25 -0.60 0.00 0.00 178.31 179.05 2jm5 h HIS 84 N -0.65 0.55 0.41 -0.55 2.76 -1.98 0.14 115.15 115.83 2jm5 h HIS 84 Ca 0.02 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2jm5 h HIS 84 Cb 0.68 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.47 2jm5 h HIS 84 CO -0.36 0.48 -0.20 1.15 -1.30 0.00 0.00 177.93 177.70 2jm5 h THR 85 N 0.54 0.59 -0.08 6.26 2.02 -1.83 -1.89 112.91 118.51 2jm5 h THR 85 Ca 0.13 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 2jm5 h THR 85 Cb 0.20 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2jm5 h THR 85 CO -0.01 0.05 -0.20 0.07 0.37 0.00 0.00 175.52 175.80 2jm5 h LYS 86 N -0.71 0.14 0.29 6.66 2.10 -0.65 -2.60 116.57 121.79 2jm5 h LYS 86 Ca -0.06 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2jm5 h LYS 86 Cb 0.51 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.80 2jm5 h LYS 86 CO 0.09 0.34 -0.31 1.49 -2.00 0.00 0.00 179.45 179.06 2jm5 h GLU 87 N 0.13 -0.62 -0.74 0.07 4.57 -0.59 0.12 114.58 117.51 2jm5 h GLU 87 Ca 0.02 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2jm5 h GLU 87 Cb 0.44 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 2jm5 h GLU 87 CO 0.03 -0.41 0.49 0.28 -1.18 0.00 0.00 179.01 178.22 2jm5 h VAL 88 N -0.65 1.16 -0.35 0.32 2.07 -1.00 -0.74 116.25 117.06 2jm5 h VAL 88 Ca -0.01 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2jm5 h VAL 88 Cb 0.60 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2jm5 h VAL 88 CO -0.08 0.18 0.17 0.40 0.02 0.00 0.00 177.57 178.26 2jm5 h ILE 89 N 0.97 1.16 0.00 4.57 2.04 -1.08 0.46 117.51 125.63 2jm5 h ILE 89 Ca 0.28 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2jm5 h ILE 89 Cb -0.05 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2jm5 h ILE 89 CO -0.07 0.17 -0.03 0.71 0.00 0.00 0.00 178.15 178.93 2jm5 h THR 90 N 0.43 0.26 0.00 -0.27 1.35 0.69 0.10 112.91 115.48 2jm5 h THR 90 Ca 0.12 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2jm5 h THR 90 Cb 0.12 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2jm5 h THR 90 CO -0.02 0.03 -1.39 0.59 -0.25 0.00 0.00 175.52 174.48 2jm5 n ASN 91 N -3.40 0.56 0.00 5.36 3.02 -0.76 -4.38 115.26 115.67 2jm5 n ASN 91 Ca -0.02 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 2jm5 n ASN 91 Cb 0.14 1.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.68 2jm5 n ASN 91 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jm5 n SER 92 N -1.85 1.81 0.17 6.41 2.88 0.09 -4.54 113.62 118.59 2jm5 n SER 92 Ca 0.01 -1.82 0.12 0.00 -1.33 0.00 0.00 58.87 55.84 2jm5 n SER 92 Cb 0.44 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.02 2jm5 n SER 92 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2jm5 h ILE 93 N 0.03 0.00 -0.96 2.46 6.09 -1.03 -2.91 117.51 121.19 2jm5 h ILE 93 Ca 0.00 -0.96 0.01 0.00 -1.37 0.00 0.00 64.86 62.54 2jm5 h ILE 93 Cb 0.42 1.78 -0.05 0.00 0.47 0.00 0.00 36.82 39.44 2jm5 h ILE 93 CO 0.00 0.00 0.64 0.00 -3.07 0.00 0.00 178.15 175.72 2jm5 h THR 94 N 0.00 1.23 -2.40 2.19 1.03 -1.83 -3.33 112.91 109.80 2jm5 h THR 94 Ca 0.00 -0.44 -0.59 0.00 -0.01 0.00 0.00 66.41 65.37 2jm5 h THR 94 Cb 0.98 -0.17 -0.39 0.00 -1.07 0.00 0.00 68.15 67.51 2jm5 h THR 94 CO 0.00 0.24 -0.93 0.00 -0.01 0.00 0.00 175.52 174.82 2jm5 n GLN 95 N -4.40 0.57 -1.34 0.00 6.02 -1.20 -5.08 117.38 111.94 2jm5 n GLN 95 Ca 0.12 -3.41 -0.31 0.00 -0.01 0.00 0.00 57.00 53.39 2jm5 n GLN 95 Cb 0.03 -1.71 0.09 0.00 1.02 0.00 0.00 30.24 29.67 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 -0.43 2.24 0.37 -1.09 0.04 -1.10 -4.95 135.00 130.08 2jm5 s PRO 96 Ca 0.32 1.02 0.04 0.00 0.04 0.00 0.00 61.00 62.42 2jm5 s PRO 96 Cb 0.05 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2jm5 s PRO 96 CO -0.18 -1.61 0.06 0.95 0.04 0.00 0.00 177.00 176.26 2jm5 s THR 97 N -2.96 1.16 0.61 1.26 -4.23 -1.26 -4.85 115.64 105.37 2jm5 s THR 97 Ca 0.61 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.42 2jm5 s THR 97 Cb -0.16 -2.67 0.36 0.00 1.34 0.00 0.00 72.50 71.37 2jm5 s THR 97 CO 0.56 0.00 2.02 0.25 -0.54 0.00 0.00 174.62 176.91 2jm5 h LEU 98 N 1.93 0.00 -5.16 4.79 5.85 -1.97 -2.21 115.31 118.54 2jm5 h LEU 98 Ca -0.40 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 57.90 2jm5 h LEU 98 Cb 1.26 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.88 2jm5 h LEU 98 CO 0.69 0.00 -1.13 1.41 -0.34 0.00 0.00 178.44 179.07 2jm5 n HIS 99 N -3.53 1.31 0.16 1.25 8.25 -1.26 -4.30 115.22 117.10 2jm5 n HIS 99 Ca 0.02 -3.08 0.02 0.00 -0.26 0.00 0.00 57.72 54.43 2jm5 n HIS 99 Cb 0.41 -0.36 0.11 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.04 0.01 -0.52 0.41 7.64 -0.83 -1.02 113.62 119.26 2jm5 n SER 100 Ca 0.16 0.50 0.07 0.00 1.01 0.00 0.00 58.87 60.62 2jm5 n SER 100 Cb 0.75 -0.51 0.19 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.51 0.38 -0.00 1.43 3.72 -1.26 -4.72 117.46 115.50 2jm5 n PHE 101 Ca 0.01 -1.15 -0.12 0.00 -0.05 0.00 0.00 57.45 56.14 2jm5 n PHE 101 Cb 0.05 -0.26 -0.07 0.00 -0.94 0.00 0.00 39.48 38.27 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 0.75 0.08 -0.16 4.37 3.58 -1.46 0.15 116.42 123.74 2jm5 h ASP 102 Ca 0.03 -0.15 -0.14 0.00 0.42 0.00 0.00 57.03 57.19 2jm5 h ASP 102 Cb 1.20 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2jm5 h ASP 102 CO 0.11 0.21 -0.39 0.00 -2.88 0.00 0.00 179.24 176.29 2jm5 h ALA 103 N 0.88 0.77 -0.25 -0.78 0.00 -1.85 -2.87 119.26 115.15 2jm5 h ALA 103 Ca 0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2jm5 h ALA 103 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jm5 h ALA 103 CO -0.00 0.66 -0.18 0.00 0.00 0.00 0.00 179.25 179.72 2jm5 h ALA 104 N 0.99 1.23 -0.47 0.00 0.00 -1.82 -1.47 119.26 117.73 2jm5 h ALA 104 Ca 0.05 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2jm5 h ALA 104 Cb 0.92 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2jm5 h ALA 104 CO 0.08 0.50 0.29 0.37 0.00 0.00 0.00 179.25 180.50 2jm5 h GLN 105 N 0.40 0.58 -0.62 0.00 4.15 -0.48 -0.60 115.11 118.54 2jm5 h GLN 105 Ca 0.07 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 2jm5 h GLN 105 Cb 0.55 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2jm5 h GLN 105 CO 0.04 0.38 0.13 0.77 -1.93 0.00 0.00 178.83 178.22 2jm5 h SER 106 N 0.60 0.94 -0.32 -0.69 0.02 -1.30 -0.78 113.55 112.02 2jm5 h SER 106 Ca 0.18 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2jm5 h SER 106 Cb -0.03 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2jm5 h SER 106 CO -0.06 0.92 0.12 0.03 -1.14 0.00 0.00 176.83 176.70 2jm5 h ARG 107 N 0.94 0.48 -0.09 3.45 2.47 -0.72 -2.13 114.38 118.78 2jm5 h ARG 107 Ca 0.20 -0.09 -0.15 0.00 -1.26 0.00 0.00 59.98 58.68 2jm5 h ARG 107 Cb 0.37 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2jm5 h ARG 107 CO 0.00 0.49 -0.59 0.28 0.56 0.00 0.00 179.97 180.72 2jm5 h VAL 108 N 0.36 1.37 -0.14 2.04 2.07 -0.93 -1.78 116.25 119.25 2jm5 h VAL 108 Ca 0.10 -1.92 0.03 0.00 0.82 0.00 0.00 66.70 65.73 2jm5 h VAL 108 Cb 0.20 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2jm5 h VAL 108 CO -0.01 0.57 -0.05 0.22 0.02 0.00 0.00 177.57 178.33 2jm5 h TYR 109 N 0.22 -0.11 -0.27 1.57 5.03 -0.94 -1.05 116.97 121.43 2jm5 h TYR 109 Ca -0.00 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.22 2jm5 h TYR 109 Cb 1.09 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.43 2jm5 h TYR 109 CO 0.03 -0.08 -0.24 -0.56 -1.32 0.00 0.00 178.16 175.98 2jm5 h GLN 110 N -0.03 0.51 -0.12 1.82 -0.00 -1.20 0.40 115.11 116.48 2jm5 h GLN 110 Ca 0.07 -0.19 0.04 0.00 -0.00 0.00 0.00 58.65 58.57 2jm5 h GLN 110 Cb 0.13 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.48 27.54 2jm5 h GLN 110 CO -0.16 0.71 -0.13 -0.07 -0.00 0.00 0.00 178.83 179.18 2jm5 h LEU 111 N 0.45 -0.41 -0.60 0.06 3.38 -1.01 -2.65 115.31 114.53 2jm5 h LEU 111 Ca 0.07 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 2jm5 h LEU 111 Cb 0.67 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2jm5 h LEU 111 CO 0.05 -0.18 -0.64 0.24 0.09 0.00 0.00 178.44 178.00 2jm5 h MET 112 N -0.16 0.23 0.05 1.13 2.86 -0.84 -3.12 114.93 115.07 2jm5 h MET 112 Ca 0.09 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2jm5 h MET 112 Cb 0.29 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2jm5 h MET 112 CO -0.22 0.79 -0.02 1.49 1.06 0.00 0.00 176.91 180.01 2jm5 h GLU 113 N 0.17 -0.06 0.00 1.72 4.81 -0.63 0.31 114.58 120.90 2jm5 h GLU 113 Ca -0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2jm5 h GLU 113 Cb 1.16 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2jm5 h GLU 113 CO 0.10 -0.04 -0.08 -0.56 -0.73 0.00 0.00 179.01 177.70 2jm5 h GLN 114 N -0.07 0.00 0.00 1.92 3.07 -1.62 -2.28 115.11 116.13 2jm5 h GLN 114 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.56 2jm5 h GLN 114 Cb 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.58 2jm5 h GLN 114 CO 0.01 0.08 -1.49 -3.47 0.09 0.00 0.00 178.83 174.05 2jm5 n ASP 115 N -3.54 1.93 -0.07 0.06 2.03 -1.18 -4.70 116.55 111.07 2jm5 n ASP 115 Ca -0.02 0.37 -0.07 0.00 0.52 0.00 0.00 54.79 55.59 2jm5 n ASP 115 Cb 0.20 -0.80 -0.15 0.00 -0.72 0.00 0.00 41.12 39.65 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 -4.40 0.16 -0.10 1.67 7.64 0.83 -4.23 113.62 115.18 2jm5 n SER 116 Ca -0.29 0.07 -0.01 0.00 1.01 0.00 0.00 58.87 59.66 2jm5 n SER 116 Cb 0.63 0.92 0.24 0.00 -1.01 0.00 0.00 64.21 65.00 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 0.77 -0.46 1.43 3.20 -0.17 0.25 116.97 122.00 2jm5 h TYR 117 Ca -0.44 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.30 2jm5 h TYR 117 Cb 2.06 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 40.08 2jm5 h TYR 117 CO 0.00 0.62 -0.03 1.79 -1.64 0.00 0.00 178.16 178.90 2jm5 h THR 118 N 0.75 1.27 -0.28 1.81 1.35 -1.76 -0.56 112.91 115.48 2jm5 h THR 118 Ca 0.18 -1.11 -0.10 0.00 -0.55 0.00 0.00 66.41 64.83 2jm5 h THR 118 Cb 0.20 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 2jm5 h THR 118 CO -0.01 0.38 -0.24 0.03 -0.25 0.00 0.00 175.52 175.43 2jm5 h ARG 119 N 0.68 0.54 -0.37 4.72 3.08 -1.52 -2.34 114.38 119.17 2jm5 h ARG 119 Ca 0.13 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.99 2jm5 h ARG 119 Cb 0.55 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2jm5 h ARG 119 CO 0.03 0.75 0.21 0.35 -1.07 0.00 0.00 179.97 180.24 2jm5 h PHE 120 N 0.48 0.39 -0.03 3.04 3.57 -0.14 0.23 116.94 124.48 2jm5 h PHE 120 Ca 0.07 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2jm5 h PHE 120 Cb 0.68 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 2jm5 h PHE 120 CO 0.03 0.23 0.02 -0.07 -2.23 0.00 0.00 178.31 176.28 2jm5 h LEU 121 N 0.43 0.00 -1.93 0.59 3.38 -0.65 -1.05 115.31 116.08 2jm5 h LEU 121 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 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 -0.08 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.74 2jm5 n LYS 122 N -4.52 2.29 -2.15 1.13 4.76 -0.66 -4.42 118.16 114.59 2jm5 n LYS 122 Ca -0.02 -1.92 -0.32 0.00 -2.87 0.00 0.00 58.31 53.18 2jm5 n LYS 122 Cb 0.12 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.82 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 -1.74 6.21 0.53 4.39 1.04 0.71 -4.88 113.70 119.96 2jm5 s SER 123 Ca 0.34 1.63 0.31 0.00 0.48 0.00 0.00 55.95 58.70 2jm5 s SER 123 Cb 0.21 -2.51 1.48 0.00 0.10 0.00 0.00 66.02 65.30 2jm5 s SER 123 CO 0.31 -0.88 2.05 -0.78 0.98 0.00 0.00 173.24 174.92 2jm5 h ASP 124 N 0.47 0.00 0.14 7.02 3.58 -1.90 0.60 116.42 126.33 2jm5 h ASP 124 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2jm5 h ASP 124 Cb 1.20 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 2jm5 h ASP 124 CO 0.60 0.10 -0.30 0.40 -2.88 0.00 0.00 179.24 177.15 2jm5 h ILE 125 N 0.00 0.00 -0.12 2.25 1.08 -1.90 0.12 117.51 118.93 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 0.40 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 2jm5 h ILE 125 CO 0.01 0.00 -0.66 0.22 -0.69 0.00 0.00 178.15 177.04 2jm5 h TYR 126 N -0.48 0.63 0.00 1.37 3.20 -1.55 -2.47 116.97 117.66 2jm5 h TYR 126 Ca -0.01 -0.25 -0.03 0.00 3.14 0.00 0.00 58.73 61.57 2jm5 h TYR 126 Cb 0.46 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 2jm5 h TYR 126 CO -0.32 1.00 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.97 2jm5 h LEU 127 N 0.35 0.00 -0.25 2.82 3.38 -0.91 0.91 115.31 121.62 2jm5 h LEU 127 Ca -0.02 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 2jm5 h LEU 127 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2jm5 h LEU 127 CO 0.12 0.16 -0.87 -0.78 0.09 0.00 0.00 178.44 177.16 2jm5 h ASP 128 N 0.00 0.53 -0.29 -0.43 3.58 -0.45 0.26 116.42 119.63 2jm5 h ASP 128 Ca -0.00 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 56.98 2jm5 h ASP 128 Cb 0.51 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2jm5 h ASP 128 CO 0.02 1.18 -0.03 -0.07 -2.88 0.00 0.00 179.24 177.46 2jm5 h LEU 129 N 0.26 0.62 0.02 2.28 3.38 -0.78 -2.82 115.31 118.27 2jm5 h LEU 129 Ca -0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2jm5 h LEU 129 Cb 1.48 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2jm5 h LEU 129 CO 0.15 0.71 -0.01 0.24 0.09 0.00 0.00 178.44 179.62 2jm5 h MET 130 N 0.61 -0.02 -6.17 1.13 2.86 -0.68 -3.29 114.93 109.36 2jm5 h MET 130 Ca 0.12 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.46 2jm5 h MET 130 Cb 0.43 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.11 2jm5 h MET 130 CO 0.02 0.27 -0.67 -1.91 1.06 0.00 0.00 176.91 175.68 2jm5 n GLU 131 N -4.96 -1.40 0.00 1.72 4.07 0.06 -1.65 120.64 118.48 2jm5 n GLU 131 Ca -0.08 0.98 0.00 0.00 -0.06 0.00 0.00 57.16 58.00 2jm5 n GLU 131 Cb 0.17 -3.82 0.00 0.00 -0.06 0.00 0.00 31.44 27.73 2jm5 n GLU 131 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jm5 n GLY 132 N -1.71 3.00 2.04 8.31 0.00 -1.26 -4.66 105.19 110.91 2jm5 n GLY 132 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 2jm5 n GLY 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jm5 n ARG 133 N -0.89 -2.88 0.00 1.61 0.63 -0.66 -5.22 116.66 109.25 2jm5 n ARG 133 Ca 0.00 2.34 0.02 0.00 -0.92 0.00 0.00 57.85 59.29 2jm5 n ARG 133 Cb 0.00 -3.31 0.12 0.00 0.45 0.00 0.00 32.46 29.72 2jm5 n ARG 133 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77