#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvw s GLN 2 N 0.00 2.93 -0.35 0.54 0.74 -1.26 -5.11 119.66 117.15 3jvw s GLN 2 Ca 0.00 -0.85 -0.13 0.00 0.05 0.00 0.00 55.36 54.43 3jvw s GLN 2 Cb 0.00 -2.58 -0.00 0.00 1.10 0.00 0.00 33.01 31.53 3jvw s GLN 2 CO 0.00 -0.23 0.24 0.42 -0.55 0.00 0.00 175.29 175.16 3jvw s ILE 3 N 1.28 5.09 0.68 -2.34 1.09 -1.26 -5.10 121.20 120.65 3jvw s ILE 3 Ca 0.04 -0.42 -0.09 0.00 -1.10 0.00 0.00 60.65 59.08 3jvw s ILE 3 Cb -0.13 -3.68 0.03 0.00 -1.06 0.00 0.00 42.46 37.61 3jvw s ILE 3 CO -0.12 -0.09 1.03 0.42 -0.10 0.00 0.00 174.94 176.08 3jvw s THR 4 N 1.68 3.24 -0.17 2.92 -4.23 -1.26 -5.02 115.64 112.80 3jvw s THR 4 Ca 0.05 0.19 0.14 0.00 -1.18 0.00 0.00 61.69 60.89 3jvw s THR 4 Cb -0.18 -3.36 0.37 0.00 1.34 0.00 0.00 72.50 70.66 3jvw s THR 4 CO 0.09 -0.43 1.19 0.18 -0.54 0.00 0.00 174.62 175.11 3jvw n LEU 5 N -2.89 2.43 0.27 4.79 4.77 -1.26 -4.52 117.00 120.59 3jvw n LEU 5 Ca 0.06 -3.46 0.11 0.00 -0.03 0.00 0.00 56.01 52.69 3jvw n LEU 5 Cb 0.58 -0.46 0.75 0.00 -2.33 0.00 0.00 43.42 41.96 3jvw n LEU 5 CO 0.55 1.10 1.08 -0.50 -1.33 0.00 0.00 177.39 178.29 3jvw h TRP 6 N 0.64 0.00 -3.85 -1.77 4.06 -2.05 -3.44 115.95 109.54 3jvw h TRP 6 Ca -0.01 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.69 3jvw h TRP 6 Cb 1.06 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.07 3jvw h TRP 6 CO 0.46 0.02 -0.68 0.15 -3.56 0.00 0.00 178.44 174.83 3jvw s LYS 7 N -4.83 0.96 -0.04 0.49 1.02 -1.26 -5.12 119.74 110.96 3jvw s LYS 7 Ca -0.05 -1.43 -0.38 0.00 0.02 0.00 0.00 55.97 54.14 3jvw s LYS 7 Cb 0.16 -0.19 -0.16 0.00 -0.52 0.00 0.00 37.83 37.12 3jvw s LYS 7 CO 0.62 -0.09 1.48 0.54 -0.92 0.00 0.00 175.35 176.99 3jvw n ARG 8 N -0.13 1.17 -2.49 1.68 1.74 -1.26 -4.86 116.66 112.51 3jvw n ARG 8 Ca -0.09 0.43 -0.40 0.00 -0.77 0.00 0.00 57.85 57.01 3jvw n ARG 8 Cb 0.62 -2.09 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 3jvw n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3jvw s PRO 9 N 1.55 3.64 -0.12 5.56 0.04 -1.26 -4.96 135.00 139.45 3jvw s PRO 9 Ca 0.89 -1.61 -0.20 0.00 0.04 0.00 0.00 61.00 60.13 3jvw s PRO 9 Cb -0.99 -5.44 -0.04 0.00 0.04 0.00 0.00 34.50 28.08 3jvw s PRO 9 CO 0.53 -2.51 0.54 -0.51 0.04 0.00 0.00 177.00 175.09 3jvw s LEU 10 N 5.51 4.26 0.22 -3.56 1.43 -1.26 -1.03 118.68 124.25 3jvw s LEU 10 Ca 0.55 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 3jvw s LEU 10 Cb 0.02 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 3jvw s LEU 10 CO 0.04 -0.07 0.01 0.68 0.23 0.00 0.00 176.35 177.24 3jvw s VAL 11 N 0.87 0.89 -0.03 -1.59 -7.23 0.19 -4.93 120.40 108.56 3jvw s VAL 11 Ca 0.29 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 3jvw s VAL 11 Cb -0.16 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 3jvw s VAL 11 CO 0.12 -0.32 0.43 -0.89 -0.31 0.00 0.00 175.10 174.13 3jvw s THR 12 N -3.52 5.06 0.29 5.32 2.01 -1.26 -0.34 115.64 123.20 3jvw s THR 12 Ca 0.28 0.89 0.06 0.00 0.31 0.00 0.00 61.69 63.24 3jvw s THR 12 Cb 0.06 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 3jvw s THR 12 CO 0.08 0.50 -0.05 0.27 -0.69 0.00 0.00 174.62 174.73 3jvw s ILE 13 N -0.53 1.64 -0.10 1.82 -4.36 0.29 -1.56 121.20 118.40 3jvw s ILE 13 Ca 0.24 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 3jvw s ILE 13 Cb -0.16 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.06 3jvw s ILE 13 CO 0.12 -0.26 -0.12 -0.75 0.24 0.00 0.00 174.94 174.17 3jvw s LYS 14 N -3.74 1.85 -0.02 0.37 2.20 -0.13 -1.59 119.74 118.69 3jvw s LYS 14 Ca 0.30 -0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 55.49 3jvw s LYS 14 Cb 0.04 -1.66 0.02 0.00 -1.51 0.00 0.00 37.83 34.72 3jvw s LYS 14 CO 0.13 -0.11 0.03 -1.50 -0.36 0.00 0.00 175.35 173.53 3jvw s ILE 15 N 1.16 -0.03 -1.52 5.43 2.07 -0.09 -1.70 121.20 126.52 3jvw s ILE 15 Ca -0.04 0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.25 3jvw s ILE 15 Cb -0.14 -0.07 0.04 0.00 0.13 0.00 0.00 42.46 42.42 3jvw s ILE 15 CO -0.03 0.04 0.40 0.61 -1.91 0.00 0.00 174.94 174.05 3jvw n GLY 16 N 3.59 -0.25 2.87 1.50 0.00 -1.26 0.03 105.19 111.66 3jvw n GLY 16 Ca -0.19 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3jvw n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvw n GLY 17 N -1.97 0.26 3.51 -0.02 0.00 -1.26 -4.98 105.19 100.72 3jvw n GLY 17 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3jvw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jvw s GLN 18 N -1.03 2.75 0.03 1.61 -0.21 0.10 -5.10 119.66 117.81 3jvw s GLN 18 Ca 0.00 -0.63 -0.18 0.00 0.02 0.00 0.00 55.36 54.57 3jvw s GLN 18 Cb 0.00 -2.52 -0.06 0.00 1.00 0.00 0.00 33.01 31.43 3jvw s GLN 18 CO 0.00 0.58 0.51 -0.51 -2.12 0.00 0.00 175.29 173.75 3jvw s LEU 19 N -0.59 4.48 0.08 2.90 1.43 -1.26 -0.91 118.68 124.81 3jvw s LEU 19 Ca 0.09 1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 54.23 3jvw s LEU 19 Cb -0.11 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.32 3jvw s LEU 19 CO 0.02 0.25 0.18 -0.54 0.23 0.00 0.00 176.35 176.49 3jvw s LYS 20 N -0.87 0.82 0.03 1.70 1.02 -0.62 -4.99 119.74 116.83 3jvw s LYS 20 Ca 0.27 -0.95 -0.18 0.00 0.02 0.00 0.00 55.97 55.13 3jvw s LYS 20 Cb -0.18 0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 37.40 3jvw s LYS 20 CO 0.16 -0.26 0.51 -2.00 -0.92 0.00 0.00 175.35 172.85 3jvw s GLU 21 N -3.79 4.13 0.05 1.68 2.12 -1.26 -0.55 118.70 121.08 3jvw s GLU 21 Ca 0.04 0.62 -0.07 0.00 0.36 0.00 0.00 54.97 55.92 3jvw s GLU 21 Cb 0.05 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 3jvw s GLU 21 CO -0.11 0.61 0.14 0.00 -0.54 0.00 0.00 175.26 175.36 3jvw s ALA 22 N -0.93 -0.17 -0.17 6.30 0.00 0.54 -4.34 121.76 123.00 3jvw s ALA 22 Ca 0.27 -0.51 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 3jvw s ALA 22 Cb -0.18 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3jvw s ALA 22 CO 0.17 -0.37 0.39 -1.17 0.00 0.00 0.00 175.76 174.77 3jvw s LEU 23 N -2.30 4.21 -0.29 0.00 2.96 0.06 0.57 118.68 123.89 3jvw s LEU 23 Ca -0.02 0.58 -0.26 0.00 -0.22 0.00 0.00 54.13 54.21 3jvw s LEU 23 Cb 0.01 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.19 3jvw s LEU 23 CO -0.06 -0.01 0.91 -0.76 -1.32 0.00 0.00 176.35 175.11 3jvw s LEU 24 N 0.91 4.04 -0.28 -0.68 1.43 -0.20 -0.49 118.68 123.42 3jvw s LEU 24 Ca 0.20 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.23 3jvw s LEU 24 Cb -0.14 -3.29 0.08 0.00 0.03 0.00 0.00 46.19 42.87 3jvw s LEU 24 CO 0.07 -0.69 -0.01 -0.62 0.23 0.00 0.00 176.35 175.34 3jvw s ASP 25 N 1.54 4.16 0.17 2.29 -1.08 0.28 -4.81 116.67 119.24 3jvw s ASP 25 Ca 0.38 -1.52 0.21 0.00 -0.52 0.00 0.00 52.55 51.10 3jvw s ASP 25 Cb -0.14 -1.27 0.87 0.00 -1.46 0.00 0.00 42.92 40.92 3jvw s ASP 25 CO 0.12 -0.30 1.64 0.35 0.52 0.00 0.00 175.17 177.50 3jvw n THR 26 N 4.57 0.86 0.63 1.71 -2.24 -1.26 -2.92 114.28 115.63 3jvw n THR 26 Ca -0.07 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 3jvw n THR 26 Cb 0.43 -1.09 0.28 0.00 -2.10 0.00 0.00 70.33 67.86 3jvw n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jvw n GLY 27 N 0.06 -1.52 3.89 3.38 0.00 -1.26 -4.80 105.19 104.93 3jvw n GLY 27 Ca 0.03 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 3jvw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvw s ALA 28 N -3.13 3.86 -0.05 4.61 0.00 -1.15 -5.02 121.76 120.90 3jvw s ALA 28 Ca 0.08 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 3jvw s ALA 28 Cb 0.13 -2.04 -0.19 0.00 0.00 0.00 0.00 23.12 21.03 3jvw s ALA 28 CO 0.66 0.66 1.05 -0.44 0.00 0.00 0.00 175.76 177.69 3jvw h ASP 29 N 4.05 -0.09 -4.50 0.00 3.32 -1.89 -1.91 116.42 115.40 3jvw h ASP 29 Ca -0.50 -0.47 -0.69 0.00 0.02 0.00 0.00 57.03 55.39 3jvw h ASP 29 Cb 1.20 0.02 -0.29 0.00 0.22 0.00 0.00 39.33 40.48 3jvw h ASP 29 CO 0.66 0.47 -0.88 -1.81 -1.72 0.00 0.00 179.24 175.95 3jvw s ASP 30 N -5.63 3.02 0.19 6.45 1.01 -1.26 -2.41 116.67 118.04 3jvw s ASP 30 Ca -0.15 -0.50 -0.30 0.00 0.71 0.00 0.00 52.55 52.31 3jvw s ASP 30 Cb 0.01 -0.32 -0.08 0.00 1.01 0.00 0.00 42.92 43.54 3jvw s ASP 30 CO 0.59 0.29 1.26 -0.89 0.21 0.00 0.00 175.17 176.63 3jvw s THR 31 N -0.66 3.38 -0.08 -1.27 2.01 -1.26 -4.59 115.64 113.17 3jvw s THR 31 Ca 0.10 1.14 0.02 0.00 0.31 0.00 0.00 61.69 63.27 3jvw s THR 31 Cb -0.10 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.69 3jvw s THR 31 CO -0.00 0.18 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.27 3jvw s VAL 32 N 0.05 1.34 0.04 3.82 1.01 -0.49 -1.26 120.40 124.91 3jvw s VAL 32 Ca 0.55 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.02 3jvw s VAL 32 Cb -0.35 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3jvw s VAL 32 CO 0.37 0.40 -0.21 -0.63 0.00 0.00 0.00 175.10 175.04 3jvw s ILE 33 N 0.74 1.69 0.85 2.22 -1.09 0.26 -0.20 121.20 125.66 3jvw s ILE 33 Ca -0.13 -1.18 -0.12 0.00 -2.23 0.00 0.00 60.65 56.99 3jvw s ILE 33 Cb -0.16 -1.46 0.10 0.00 -1.58 0.00 0.00 42.46 39.36 3jvw s ILE 33 CO 0.03 0.24 1.16 -1.84 -1.23 0.00 0.00 174.94 173.29 3jvw n GLU 34 N 1.91 -0.03 -1.64 2.79 0.28 -1.26 -1.26 120.64 121.43 3jvw n GLU 34 Ca -0.17 0.07 -0.51 0.00 -0.16 0.00 0.00 57.16 56.39 3jvw n GLU 34 Cb 0.53 -2.40 -0.05 0.00 1.43 0.00 0.00 31.44 30.95 3jvw n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3jvw n GLU 35 N -3.51 1.55 -3.78 3.44 -0.58 -1.18 -4.52 120.64 112.07 3jvw n GLU 35 Ca 0.13 0.56 -0.07 0.00 -0.42 0.00 0.00 57.16 57.36 3jvw n GLU 35 Cb 0.51 -2.27 -0.02 0.00 -0.57 0.00 0.00 31.44 29.09 3jvw n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3jvw s MET 36 N 1.34 1.60 0.08 3.49 0.23 -1.26 -5.02 119.30 119.77 3jvw s MET 36 Ca 0.85 -0.85 -0.12 0.00 -1.03 0.00 0.00 55.69 54.54 3jvw s MET 36 Cb -0.86 0.56 -0.06 0.00 -1.53 0.00 0.00 34.83 32.95 3jvw s MET 36 CO 0.47 -0.73 0.43 -1.54 -2.03 0.00 0.00 175.02 171.62 3jvw s SER 37 N -2.89 6.71 0.03 -1.18 1.04 -1.26 -5.01 113.70 111.13 3jvw s SER 37 Ca 0.10 0.88 0.02 0.00 0.48 0.00 0.00 55.95 57.43 3jvw s SER 37 Cb -0.04 -2.21 -0.02 0.00 0.10 0.00 0.00 66.02 63.84 3jvw s SER 37 CO 0.04 0.18 -0.07 -0.76 0.98 0.00 0.00 173.24 173.60 3jvw s LEU 38 N -1.78 2.18 0.53 2.42 1.43 -1.26 -4.94 118.68 117.26 3jvw s LEU 38 Ca 0.32 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 3jvw s LEU 38 Cb -0.15 -0.22 -0.07 0.00 0.03 0.00 0.00 46.19 45.78 3jvw s LEU 38 CO 0.17 -0.12 0.99 -2.16 0.23 0.00 0.00 176.35 175.47 3jvw s PRO 39 N -1.15 3.88 0.00 1.29 0.05 -1.26 -4.96 135.00 132.85 3jvw s PRO 39 Ca -0.06 0.93 0.00 0.00 0.05 0.00 0.00 61.00 61.93 3jvw s PRO 39 Cb -0.08 -2.12 0.00 0.00 0.05 0.00 0.00 34.50 32.35 3jvw s PRO 39 CO 0.00 -0.33 0.00 0.41 0.05 0.00 0.00 177.00 177.13 3jvw n GLY 40 N -1.72 -2.62 3.90 0.56 0.00 -1.26 -5.00 105.19 99.04 3jvw n GLY 40 Ca 0.07 -2.17 -0.28 0.00 0.00 0.00 0.00 46.02 43.63 3jvw n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jvw s ARG 41 N -0.81 2.96 0.07 1.61 0.52 -1.26 -5.09 118.95 116.95 3jvw s ARG 41 Ca 0.00 0.23 -0.19 0.00 -0.52 0.00 0.00 55.73 55.25 3jvw s ARG 41 Cb 0.00 -2.17 0.04 0.00 0.52 0.00 0.00 34.95 33.35 3jvw s ARG 41 CO 0.00 -0.80 0.45 1.67 0.02 0.00 0.00 175.30 176.64 3jvw s TRP 42 N -3.14 -0.31 0.09 -0.53 1.48 -1.26 -4.47 118.94 110.81 3jvw s TRP 42 Ca 0.55 0.22 0.05 0.00 -1.06 0.00 0.00 56.10 55.86 3jvw s TRP 42 Cb -0.11 0.28 -0.03 0.00 -1.16 0.00 0.00 33.47 32.45 3jvw s TRP 42 CO 0.48 -0.64 -0.13 -1.59 -4.06 0.00 0.00 176.95 171.01 3jvw s LYS 43 N -2.86 0.88 0.54 3.25 -2.85 -0.62 -4.90 119.74 113.19 3jvw s LYS 43 Ca -0.03 -1.08 -0.18 0.00 -1.00 0.00 0.00 55.97 53.68 3jvw s LYS 43 Cb -0.00 -0.77 -0.06 0.00 -2.06 0.00 0.00 37.83 34.94 3jvw s LYS 43 CO -0.05 0.15 1.05 -1.25 0.10 0.00 0.00 175.35 175.35 3jvw s PRO 44 N -2.26 3.56 -0.05 1.78 0.05 -1.26 -0.04 135.00 136.78 3jvw s PRO 44 Ca 0.03 1.29 -0.21 0.00 0.05 0.00 0.00 61.00 62.16 3jvw s PRO 44 Cb -0.07 -2.06 0.04 0.00 0.05 0.00 0.00 34.50 32.46 3jvw s PRO 44 CO 0.02 -0.63 0.47 0.21 0.05 0.00 0.00 177.00 177.12 3jvw s LYS 45 N -3.65 0.79 -0.10 4.56 2.20 -0.98 -4.83 119.74 117.73 3jvw s LYS 45 Ca 0.66 0.09 0.01 0.00 -0.36 0.00 0.00 55.97 56.36 3jvw s LYS 45 Cb -0.16 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 3jvw s LYS 45 CO 0.28 -0.22 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.30 3jvw s MET 46 N -1.06 3.11 0.07 4.03 -1.94 -1.26 -0.93 119.30 121.32 3jvw s MET 46 Ca -0.11 -0.66 0.07 0.00 -1.71 0.00 0.00 55.69 53.28 3jvw s MET 46 Cb -0.03 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.20 3jvw s MET 46 CO 0.06 0.37 -0.18 0.96 -0.01 0.00 0.00 175.02 176.22 3jvw s ILE 47 N -0.06 1.44 -0.01 2.53 -4.36 -0.68 -4.95 121.20 115.11 3jvw s ILE 47 Ca -0.02 -1.30 0.02 0.00 -0.26 0.00 0.00 60.65 59.09 3jvw s ILE 47 Cb -0.14 -1.31 -0.00 0.00 1.25 0.00 0.00 42.46 42.26 3jvw s ILE 47 CO 0.04 -0.03 -0.06 -0.83 0.24 0.00 0.00 174.94 174.30 3jvw s GLY 48 N -1.55 0.32 0.00 6.27 0.00 -1.26 0.15 107.32 111.25 3jvw s GLY 48 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.52 3jvw s GLY 48 CO 0.03 -0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.60 3jvw n GLY 49 N 3.08 4.48 3.65 0.20 0.00 0.79 -4.96 105.19 112.43 3jvw n GLY 49 Ca -0.15 -1.17 -0.52 0.00 0.00 0.00 0.00 46.02 44.18 3jvw n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3jvw n ILE 50 N 0.00 0.18 0.00 -0.61 -0.00 -1.26 -1.48 119.36 116.19 3jvw n ILE 50 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 3jvw n ILE 50 Cb 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 39.64 38.44 3jvw n ILE 50 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3jvw n GLY 51 N 3.46 1.41 0.00 7.39 0.00 -1.26 -4.95 105.19 111.24 3jvw n GLY 51 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3jvw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvw n GLY 52 N -2.00 0.62 3.67 -0.02 0.00 -0.55 -5.10 105.19 101.82 3jvw n GLY 52 Ca 0.00 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.64 3jvw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jvw s PHE 53 N -1.06 2.87 0.06 1.61 0.40 -1.26 -0.15 117.98 120.45 3jvw s PHE 53 Ca 0.00 -0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 3jvw s PHE 53 Cb 0.00 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 3jvw s PHE 53 CO 0.00 0.51 -0.09 0.96 0.70 0.00 0.00 175.22 177.30 3jvw s ILE 54 N -1.64 0.66 0.01 0.64 -4.36 0.12 -4.96 121.20 111.67 3jvw s ILE 54 Ca 0.27 -1.26 -0.22 0.00 -0.26 0.00 0.00 60.65 59.18 3jvw s ILE 54 Cb -0.10 -0.86 -0.05 0.00 1.25 0.00 0.00 42.46 42.70 3jvw s ILE 54 CO 0.18 -0.44 0.67 -0.75 0.24 0.00 0.00 174.94 174.84 3jvw s LYS 55 N -1.98 4.39 0.24 0.37 2.20 -1.26 -1.69 119.74 122.02 3jvw s LYS 55 Ca -0.05 0.87 0.06 0.00 -0.36 0.00 0.00 55.97 56.49 3jvw s LYS 55 Cb -0.08 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 3jvw s LYS 55 CO -0.00 0.32 -0.07 0.14 -0.36 0.00 0.00 175.35 175.38 3jvw s VAL 56 N -0.09 1.53 -0.21 4.02 -7.23 -0.10 -4.40 120.40 113.91 3jvw s VAL 56 Ca 0.34 -2.13 -0.10 0.00 -1.81 0.00 0.00 61.98 58.29 3jvw s VAL 56 Cb -0.19 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 3jvw s VAL 56 CO 0.19 -0.41 0.13 -0.13 -0.31 0.00 0.00 175.10 174.58 3jvw s ARG 57 N -3.73 4.14 -0.26 4.82 0.52 0.11 -2.33 118.95 122.22 3jvw s ARG 57 Ca 0.27 -0.24 -0.15 0.00 -0.52 0.00 0.00 55.73 55.09 3jvw s ARG 57 Cb 0.03 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 3jvw s ARG 57 CO 0.09 0.23 0.36 -1.14 0.02 0.00 0.00 175.30 174.87 3jvw s GLN 58 N 0.55 4.03 -0.09 3.54 0.74 0.95 -0.54 119.66 128.84 3jvw s GLN 58 Ca 0.08 0.04 -0.00 0.00 0.05 0.00 0.00 55.36 55.52 3jvw s GLN 58 Cb -0.12 -3.64 -0.03 0.00 1.10 0.00 0.00 33.01 30.33 3jvw s GLN 58 CO -0.00 -0.24 -0.08 0.71 -0.55 0.00 0.00 175.29 175.13 3jvw s TYR 59 N 1.95 2.92 0.35 1.67 1.51 -0.40 -1.58 117.35 123.76 3jvw s TYR 59 Ca 0.15 -0.15 0.07 0.00 -1.01 0.00 0.00 57.07 56.13 3jvw s TYR 59 Cb -0.16 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3jvw s TYR 59 CO 0.10 0.17 0.34 -0.51 -1.11 0.00 0.00 175.55 174.53 3jvw s ASP 60 N -0.39 5.40 -1.47 2.29 1.01 -1.26 -1.02 116.67 121.23 3jvw s ASP 60 Ca 0.05 -0.46 -0.06 0.00 0.71 0.00 0.00 52.55 52.79 3jvw s ASP 60 Cb -0.12 -0.97 0.05 0.00 1.01 0.00 0.00 42.92 42.89 3jvw s ASP 60 CO 0.02 -0.41 0.67 0.00 0.21 0.00 0.00 175.17 175.66 3jvw n GLN 61 N -1.45 -4.11 -3.80 8.23 1.13 -1.22 -4.88 117.38 111.27 3jvw n GLN 61 Ca -0.01 0.49 -0.37 0.00 -1.94 0.00 0.00 57.00 55.17 3jvw n GLN 61 Cb 0.60 -4.98 -0.06 0.00 0.11 0.00 0.00 30.24 25.90 3jvw n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3jvw s ILE 62 N -3.63 5.41 -0.08 5.09 -1.09 -0.29 -4.80 121.20 121.81 3jvw s ILE 62 Ca 0.28 0.34 -0.12 0.00 -2.23 0.00 0.00 60.65 58.92 3jvw s ILE 62 Cb -0.15 -3.47 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 3jvw s ILE 62 CO 0.87 0.61 0.30 -0.63 -1.23 0.00 0.00 174.94 174.85 3jvw s ILE 63 N -1.03 5.25 -0.03 2.92 1.01 -1.26 -2.15 121.20 125.90 3jvw s ILE 63 Ca 0.17 0.57 0.02 0.00 0.00 0.00 0.00 60.65 61.41 3jvw s ILE 63 Cb -0.13 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.75 3jvw s ILE 63 CO 0.06 0.54 -0.07 -0.63 0.00 0.00 0.00 174.94 174.84 3jvw s ILE 64 N -0.66 0.67 -0.28 2.92 1.01 -0.30 -4.46 121.20 120.10 3jvw s ILE 64 Ca 0.19 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 3jvw s ILE 64 Cb -0.14 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3jvw s ILE 64 CO 0.08 0.23 0.24 -0.70 0.00 0.00 0.00 174.94 174.78 3jvw s GLU 65 N 0.39 3.92 -0.26 2.79 2.12 -0.69 -0.16 118.70 126.82 3jvw s GLU 65 Ca -0.06 -0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.01 3jvw s GLU 65 Cb -0.10 -3.67 0.04 0.00 0.26 0.00 0.00 34.13 30.66 3jvw s GLU 65 CO 0.00 -0.23 -0.08 0.42 -0.54 0.00 0.00 175.26 174.84 3jvw s ILE 66 N 1.83 2.61 -1.71 -3.70 1.01 0.07 -0.95 121.20 120.35 3jvw s ILE 66 Ca 0.09 -1.27 -0.14 0.00 0.00 0.00 0.00 60.65 59.33 3jvw s ILE 66 Cb -0.16 -2.40 0.13 0.00 0.01 0.00 0.00 42.46 40.05 3jvw s ILE 66 CO 0.11 0.11 0.46 0.00 0.00 0.00 0.00 174.94 175.61 3jvw n ALA 67 N 4.59 -1.52 -0.50 9.38 0.00 -0.60 0.14 120.51 131.99 3jvw n ALA 67 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3jvw n ALA 67 Cb 0.45 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3jvw n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jvw n GLY 68 N -1.64 1.05 3.43 0.00 0.00 -1.26 -5.03 105.19 101.74 3jvw n GLY 68 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3jvw n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jvw s HIS 69 N -3.14 3.21 0.43 1.61 4.02 0.12 -5.08 115.29 116.46 3jvw s HIS 69 Ca 0.00 -0.65 -0.23 0.00 1.02 0.00 0.00 55.06 55.20 3jvw s HIS 69 Cb 0.00 -2.40 -0.08 0.00 -1.02 0.00 0.00 32.58 29.07 3jvw s HIS 69 CO 0.00 -0.51 1.09 0.21 1.02 0.00 0.00 174.74 176.55 3jvw s LYS 70 N 1.61 3.99 0.06 1.40 2.20 -1.26 -0.76 119.74 126.98 3jvw s LYS 70 Ca 0.04 1.59 -0.15 0.00 -0.36 0.00 0.00 55.97 57.08 3jvw s LYS 70 Cb -0.18 -2.45 0.03 0.00 -1.51 0.00 0.00 37.83 33.72 3jvw s LYS 70 CO 0.07 -0.31 0.35 0.00 -0.36 0.00 0.00 175.35 175.09 3jvw s ALA 71 N -1.65 -0.80 0.02 3.13 0.00 0.77 -4.83 121.76 118.40 3jvw s ALA 71 Ca 0.61 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.65 3jvw s ALA 71 Cb -0.24 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3jvw s ALA 71 CO 0.29 -0.46 -0.06 -1.50 0.00 0.00 0.00 175.76 174.03 3jvw s ILE 72 N -2.76 0.39 -4.59 0.00 2.07 -1.26 -1.15 121.20 113.90 3jvw s ILE 72 Ca -0.03 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.43 3jvw s ILE 72 Cb -0.00 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.15 3jvw s ILE 72 CO -0.05 -0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.33 3jvw n GLY 73 N 1.94 -1.11 3.75 1.50 0.00 -0.92 -4.93 105.19 105.42 3jvw n GLY 73 Ca -0.20 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 3jvw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jvw s THR 74 N -3.00 3.11 -0.08 2.61 2.01 -1.26 -1.13 115.64 117.90 3jvw s THR 74 Ca 0.00 1.01 0.01 0.00 0.31 0.00 0.00 61.69 63.02 3jvw s THR 74 Cb 0.00 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.89 3jvw s THR 74 CO 0.00 0.20 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.35 3jvw s VAL 75 N -0.52 0.98 -0.12 3.82 1.01 -0.19 -4.30 120.40 121.08 3jvw s VAL 75 Ca 0.52 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 3jvw s VAL 75 Cb -0.37 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3jvw s VAL 75 CO 0.43 0.34 0.44 -0.76 0.00 0.00 0.00 175.10 175.55 3jvw s LEU 76 N 1.20 4.28 -0.12 3.92 1.43 -0.39 -1.27 118.68 127.73 3jvw s LEU 76 Ca -0.05 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 53.84 3jvw s LEU 76 Cb -0.14 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 3jvw s LEU 76 CO -0.02 0.04 -0.19 -0.69 0.23 0.00 0.00 176.35 175.72 3jvw s VAL 77 N 0.50 2.51 -0.50 -1.59 1.01 0.30 -0.57 120.40 122.05 3jvw s VAL 77 Ca 0.24 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3jvw s VAL 77 Cb -0.15 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3jvw s VAL 77 CO 0.09 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.34 3jvw n GLY 78 N 3.63 -1.27 2.55 4.51 0.00 -0.39 0.07 105.19 114.29 3jvw n GLY 78 Ca -0.19 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 3jvw n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jvw n PRO 79 N -0.10 2.90 -3.17 1.61 -0.04 -1.26 -3.10 135.00 131.84 3jvw n PRO 79 Ca 0.00 -2.05 -0.34 0.00 -0.04 0.00 0.00 63.50 61.07 3jvw n PRO 79 Cb 0.00 -2.81 -0.06 0.00 -0.04 0.00 0.00 33.50 30.59 3jvw n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3jvw s THR 80 N 2.97 4.68 -0.77 0.52 -1.32 -1.26 -4.98 115.64 115.48 3jvw s THR 80 Ca 0.56 1.02 0.26 0.00 -1.21 0.00 0.00 61.69 62.32 3jvw s THR 80 Cb 0.15 -3.71 0.19 0.00 -1.51 0.00 0.00 72.50 67.62 3jvw s THR 80 CO -0.04 0.01 1.65 -0.81 -2.21 0.00 0.00 174.62 173.23 3jvw n PRO 81 N 0.18 0.21 -4.05 7.08 -0.04 -1.26 -4.66 135.00 132.45 3jvw n PRO 81 Ca 0.00 0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 3jvw n PRO 81 Cb 0.52 -1.70 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 3jvw n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3jvw s VAL 82 N -3.09 0.36 0.16 0.52 1.01 -1.26 -5.09 120.40 113.01 3jvw s VAL 82 Ca 0.10 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 3jvw s VAL 82 Cb 0.14 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 36.06 3jvw s VAL 82 CO 0.63 -0.19 1.13 0.20 0.00 0.00 0.00 175.10 176.87 3jvw s ASN 83 N -0.89 7.20 -0.17 3.32 0.01 -1.26 -4.72 114.94 118.43 3jvw s ASN 83 Ca -0.06 2.11 0.01 0.00 -0.71 0.00 0.00 52.86 54.22 3jvw s ASN 83 Cb -0.06 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.01 3jvw s ASN 83 CO -0.00 -0.29 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.47 3jvw s ILE 84 N -0.03 2.10 -0.46 0.60 1.01 0.71 -0.76 121.20 124.38 3jvw s ILE 84 Ca 0.51 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 3jvw s ILE 84 Cb -0.30 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.34 3jvw s ILE 84 CO 0.35 0.54 0.59 -0.63 0.00 0.00 0.00 174.94 175.78 3jvw s ILE 85 N 1.10 4.91 0.59 2.92 -1.09 0.36 -1.39 121.20 128.60 3jvw s ILE 85 Ca 0.00 -0.24 0.05 0.00 -2.23 0.00 0.00 60.65 58.23 3jvw s ILE 85 Cb -0.14 -4.20 0.11 0.00 -1.58 0.00 0.00 42.46 36.65 3jvw s ILE 85 CO -0.08 -0.64 0.81 0.00 -1.23 0.00 0.00 174.94 173.80 3jvw n ALA 86 N 6.07 0.67 -0.05 9.38 0.00 -1.26 -0.55 120.51 134.76 3jvw n ALA 86 Ca -0.05 -1.84 0.13 0.00 0.00 0.00 0.00 53.44 51.68 3jvw n ALA 86 Cb 0.47 0.41 0.53 0.00 0.00 0.00 0.00 19.45 20.86 3jvw n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jvw h ARG 87 N 0.00 0.32 0.00 0.00 3.08 -1.41 -0.24 114.38 116.13 3jvw h ARG 87 Ca -0.27 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 3jvw h ARG 87 Cb 1.12 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 3jvw h ARG 87 CO 0.34 0.21 -0.06 -2.95 -1.07 0.00 0.00 179.97 176.44 3jvw h ASN 88 N 0.33 0.00 0.00 7.04 -1.07 -1.74 -1.54 115.58 118.60 3jvw h ASN 88 Ca 0.26 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.47 3jvw h ASN 88 Cb 0.58 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.80 3jvw h ASN 88 CO -0.06 0.06 -1.84 0.18 0.07 0.00 0.00 177.43 175.83 3jvw n LEU 89 N -3.89 0.00 -0.08 6.14 4.77 -0.78 -4.34 117.00 118.82 3jvw n LEU 89 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 3jvw n LEU 89 Cb 0.15 0.21 0.35 0.00 -2.33 0.00 0.00 43.42 41.80 3jvw n LEU 89 CO 0.30 0.21 1.17 -0.07 -1.33 0.00 0.00 177.39 177.67 3jvw h LEU 90 N 0.00 0.61 -1.16 2.23 3.38 -0.83 -1.57 115.31 117.96 3jvw h LEU 90 Ca -0.24 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3jvw h LEU 90 Cb 1.42 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3jvw h LEU 90 CO 0.01 0.46 -0.10 0.71 0.09 0.00 0.00 178.44 179.62 3jvw h THR 91 N 0.72 1.22 0.00 0.22 1.35 -1.49 -1.28 112.91 113.64 3jvw h THR 91 Ca 0.19 -0.93 -0.05 0.00 -0.55 0.00 0.00 66.41 65.07 3jvw h THR 91 Cb -0.05 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 3jvw h THR 91 CO -0.04 0.31 -0.24 1.56 -0.25 0.00 0.00 175.52 176.86 3jvw h GLN 92 N 0.44 0.00 -0.43 4.72 1.08 -1.49 -1.18 115.11 118.25 3jvw h GLN 92 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3jvw h GLN 92 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3jvw h GLN 92 CO 0.02 0.24 0.00 0.44 -0.95 0.00 0.00 178.83 178.58 3jvw n ILE 93 N -3.63 0.56 -1.35 2.54 -5.35 -0.97 -4.93 119.36 106.23 3jvw n ILE 93 Ca -0.01 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 3jvw n ILE 93 Cb 0.37 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 3jvw n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jvw n GLY 94 N 1.41 0.38 3.77 3.28 0.00 -0.45 -5.00 105.19 108.58 3jvw n GLY 94 Ca 0.19 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 3jvw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvw s ALA 95 N -2.00 3.40 0.11 4.61 0.00 -0.52 -5.04 121.76 122.32 3jvw s ALA 95 Ca 0.00 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.44 3jvw s ALA 95 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 3jvw s ALA 95 CO 0.00 0.26 -0.12 0.95 0.00 0.00 0.00 175.76 176.86 3jvw s THR 96 N -1.23 1.10 -0.11 0.00 -4.23 -1.26 -4.72 115.64 105.19 3jvw s THR 96 Ca 0.39 -1.65 -0.13 0.00 -1.18 0.00 0.00 61.69 59.13 3jvw s THR 96 Cb -0.23 -1.40 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 3jvw s THR 96 CO 0.27 -0.48 0.29 -0.76 -0.54 0.00 0.00 174.62 173.40 3jvw s LEU 97 N -2.40 4.33 -0.04 4.79 1.43 -1.26 -5.08 118.68 120.45 3jvw s LEU 97 Ca 0.06 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 3jvw s LEU 97 Cb -0.04 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.84 3jvw s LEU 97 CO 0.01 0.22 -0.04 0.20 0.23 0.00 0.00 176.35 176.97 3jvw s ASN 98 N -0.20 0.80 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.40 3jvw s ASN 98 Ca 0.18 -0.10 0.00 0.00 -1.57 0.00 0.00 52.86 51.36 3jvw s ASN 98 Cb -0.14 -0.39 0.00 0.00 -0.02 0.00 0.00 41.25 40.70 3jvw s ASN 98 CO 0.06 -0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.75