#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jov s HIS 2 N 0.00 0.95 -0.06 2.03 5.65 -1.26 -5.10 115.29 117.51 2jov s HIS 2 Ca 0.00 -2.12 0.02 0.00 0.25 0.00 0.00 55.06 53.21 2jov s HIS 2 Cb 0.00 -0.89 0.01 0.00 -1.18 0.00 0.00 32.58 30.52 2jov s HIS 2 CO 0.00 -0.84 -0.10 0.15 -0.65 0.00 0.00 174.74 173.30 2jov s LYS 3 N 0.33 1.41 0.18 2.88 1.02 -1.26 -4.53 119.74 119.77 2jov s LYS 3 Ca 0.29 -0.33 0.08 0.00 0.02 0.00 0.00 55.97 56.04 2jov s LYS 3 Cb -0.03 -1.22 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 2jov s LYS 3 CO -0.14 0.01 -0.07 0.34 -0.92 0.00 0.00 175.35 174.57 2jov s ASP 4 N 0.67 4.41 -0.33 2.83 -1.08 0.02 -4.63 116.67 118.56 2jov s ASP 4 Ca -0.13 -0.52 -0.29 0.00 -0.52 0.00 0.00 52.55 51.09 2jov s ASP 4 Cb -0.15 -0.81 -0.00 0.00 -1.46 0.00 0.00 42.92 40.50 2jov s ASP 4 CO 0.03 0.10 1.43 -0.63 0.52 0.00 0.00 175.17 176.61 2jov s ILE 5 N -1.72 3.93 -0.42 4.11 -1.09 -1.26 -0.85 121.20 123.91 2jov s ILE 5 Ca 0.26 1.01 -0.27 0.00 -2.23 0.00 0.00 60.65 59.42 2jov s ILE 5 Cb -0.09 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 2jov s ILE 5 CO 0.16 -0.55 2.11 0.12 -1.23 0.00 0.00 174.94 175.55 2jov s PHE 6 N 5.08 1.39 -0.22 3.97 5.36 -1.26 -4.79 117.98 127.50 2jov s PHE 6 Ca 0.62 0.95 -0.04 0.00 -0.96 0.00 0.00 56.93 57.50 2jov s PHE 6 Cb -0.17 -3.90 -0.01 0.00 -0.34 0.00 0.00 43.02 38.60 2jov s PHE 6 CO 0.28 -2.94 -0.03 0.95 -1.46 0.00 0.00 175.22 172.02 2jov s THR 7 N 9.41 3.52 0.00 0.12 -4.23 -1.26 -2.06 115.64 121.15 2jov s THR 7 Ca 0.88 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 2jov s THR 7 Cb -0.21 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2jov s THR 7 CO 0.29 0.42 0.00 -0.24 -0.54 0.00 0.00 174.62 174.54 2jov n SER 8 N 4.74 0.00 -3.91 3.99 2.88 0.20 -4.97 113.62 116.55 2jov n SER 8 Ca -0.18 -0.69 -0.20 0.00 -1.33 0.00 0.00 58.87 56.47 2jov n SER 8 Cb 0.51 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.81 2jov n SER 8 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jov s VAL 9 N -1.78 0.61 0.13 2.46 1.01 -1.26 0.21 120.40 121.78 2jov s VAL 9 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.88 2jov s VAL 9 Cb 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2jov s VAL 9 CO 0.00 0.24 -0.04 0.54 0.00 0.00 0.00 175.10 175.84 2jov s VAL 10 N 0.87 3.62 -0.07 2.92 0.11 -0.24 -4.93 120.40 122.68 2jov s VAL 10 Ca -0.12 -1.30 -0.17 0.00 -2.93 0.00 0.00 61.98 57.45 2jov s VAL 10 Cb -0.15 -2.76 -0.05 0.00 -1.53 0.00 0.00 36.38 31.90 2jov s VAL 10 CO 0.01 0.01 0.47 -0.13 -3.33 0.00 0.00 175.10 172.13 2jov s ARG 11 N -2.56 4.23 -0.08 1.54 0.52 -1.26 -0.83 118.95 120.51 2jov s ARG 11 Ca 0.25 0.47 0.04 0.00 -0.52 0.00 0.00 55.73 55.97 2jov s ARG 11 Cb -0.10 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 2jov s ARG 11 CO 0.17 0.33 -0.22 0.08 0.02 0.00 0.00 175.30 175.67 2jov s VAL 12 N 0.06 2.27 0.52 3.52 1.01 0.15 -3.26 120.40 124.67 2jov s VAL 12 Ca 0.26 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.32 2jov s VAL 12 Cb -0.16 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.42 2jov s VAL 12 CO 0.12 0.56 0.44 0.54 0.00 0.00 0.00 175.10 176.76 2jov n ARG 13 N 3.15 0.71 0.00 2.72 1.74 0.88 -4.53 116.66 121.33 2jov n ARG 13 Ca -0.18 -3.18 0.00 0.00 -0.77 0.00 0.00 57.85 53.72 2jov n ARG 13 Cb 0.52 0.26 0.00 0.00 -1.02 0.00 0.00 32.46 32.22 2jov n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jov n GLY 14 N -1.28 -1.84 3.17 -0.13 0.00 -1.26 -3.92 105.19 99.92 2jov n GLY 14 Ca 0.01 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 2jov n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jov n SER 15 N 0.02 4.19 -3.98 1.61 7.64 -1.26 -4.86 113.62 116.98 2jov n SER 15 Ca 0.00 -2.86 -0.10 0.00 1.01 0.00 0.00 58.87 56.93 2jov n SER 15 Cb 0.00 -1.67 -0.07 0.00 -1.01 0.00 0.00 64.21 61.46 2jov n SER 15 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2jov s LYS 16 N 3.95 1.25 -0.17 1.43 0.00 -1.26 -4.47 119.74 120.47 2jov s LYS 16 Ca 0.52 -1.22 -0.17 0.00 0.00 0.00 0.00 55.97 55.10 2jov s LYS 16 Cb 0.09 0.39 -0.22 0.00 0.00 0.00 0.00 37.83 38.09 2jov s LYS 16 CO 0.01 -0.47 0.31 -0.22 0.00 0.00 0.00 175.35 174.98 2jov h LYS 17 N 2.48 0.11 -7.05 1.78 3.64 -1.88 -3.45 116.57 112.20 2jov h LYS 17 Ca -0.31 -0.18 -0.49 0.00 -1.27 0.00 0.00 60.65 58.40 2jov h LYS 17 Cb 1.24 0.07 0.02 0.00 -0.41 0.00 0.00 32.23 33.15 2jov h LYS 17 CO 0.46 1.09 0.24 0.71 -2.27 0.00 0.00 179.45 179.67 2jov s TYR 18 N -2.43 3.52 -1.99 1.91 2.02 -1.26 -4.99 117.35 114.13 2jov s TYR 18 Ca -0.26 1.15 0.19 0.00 -0.37 0.00 0.00 57.07 57.78 2jov s TYR 18 Cb 0.06 -2.55 0.05 0.00 -0.40 0.00 0.00 41.96 39.12 2jov s TYR 18 CO 0.66 -0.32 1.02 0.27 -1.57 0.00 0.00 175.55 175.61 2jov n ASN 19 N -1.85 2.11 -3.86 2.29 0.23 -1.26 -4.80 115.26 108.11 2jov n ASN 19 Ca 0.04 -1.55 -0.11 0.00 -0.53 0.00 0.00 54.58 52.42 2jov n ASN 19 Cb 0.54 0.30 -0.11 0.00 -2.08 0.00 0.00 39.78 38.43 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2jov s VAL 20 N -1.97 0.05 -0.05 3.53 -7.23 -1.26 0.34 120.40 113.82 2jov s VAL 20 Ca 0.18 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 2jov s VAL 20 Cb 0.16 -0.29 0.02 0.00 0.56 0.00 0.00 36.38 36.83 2jov s VAL 20 CO 0.39 -0.21 -0.05 0.54 -0.31 0.00 0.00 175.10 175.46 2jov s VAL 21 N -0.70 0.55 0.11 1.32 0.11 -0.01 -4.90 120.40 116.88 2jov s VAL 21 Ca -0.08 -0.13 -0.31 0.00 -2.93 0.00 0.00 61.98 58.54 2jov s VAL 21 Cb -0.05 -0.58 -0.08 0.00 -1.53 0.00 0.00 36.38 34.14 2jov s VAL 21 CO 0.01 0.23 1.45 -2.16 -3.33 0.00 0.00 175.10 171.30 2jov s PRO 22 N 0.96 4.28 0.30 1.54 0.04 -1.26 -1.08 135.00 139.78 2jov s PRO 22 Ca -0.10 2.14 0.10 0.00 0.04 0.00 0.00 61.00 63.18 2jov s PRO 22 Cb -0.14 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 2jov s PRO 22 CO -0.00 -0.52 -0.04 0.14 0.04 0.00 0.00 177.00 176.62 2jov s VAL 23 N 1.43 2.88 0.32 -0.36 -7.23 0.13 -2.49 120.40 115.08 2jov s VAL 23 Ca 0.67 -2.06 0.06 0.00 -1.81 0.00 0.00 61.98 58.84 2jov s VAL 23 Cb -0.38 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 2jov s VAL 23 CO 0.30 -0.31 0.26 -1.59 -0.31 0.00 0.00 175.10 173.45 2jov s LYS 24 N -3.65 1.71 -0.12 4.82 -2.85 0.94 -0.63 119.74 119.95 2jov s LYS 24 Ca 0.32 -1.98 -0.02 0.00 -1.00 0.00 0.00 55.97 53.29 2jov s LYS 24 Cb -0.04 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 36.00 2jov s LYS 24 CO 0.18 -0.62 -0.04 -1.12 0.10 0.00 0.00 175.35 173.85 2jov s SER 25 N -3.36 4.81 0.46 0.03 0.01 -0.87 -1.20 113.70 113.58 2jov s SER 25 Ca 0.40 -0.06 0.26 0.00 1.31 0.00 0.00 55.95 57.87 2jov s SER 25 Cb 0.03 -1.55 0.92 0.00 0.21 0.00 0.00 66.02 65.62 2jov s SER 25 CO 0.26 0.26 1.82 -0.55 0.41 0.00 0.00 173.24 175.44 2jov h ASN 26 N 6.03 0.00 -4.38 2.44 -1.07 -1.90 -3.44 115.58 113.26 2jov h ASN 26 Ca -0.39 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 55.60 2jov h ASN 26 Cb 1.19 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 37.19 2jov h ASN 26 CO 0.58 0.14 -0.77 -0.54 0.07 0.00 0.00 177.43 176.92 2jov s LYS 27 N -3.55 0.75 0.31 4.14 1.02 -1.26 -5.02 119.74 116.14 2jov s LYS 27 Ca 0.02 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 55.03 2jov s LYS 27 Cb 0.09 -0.70 -0.11 0.00 -0.52 0.00 0.00 37.83 36.60 2jov s LYS 27 CO 0.62 0.17 1.46 -2.14 -0.92 0.00 0.00 175.35 174.54 2jov s PRO 28 N -1.15 4.21 0.27 -1.68 0.02 -1.26 -4.75 135.00 130.65 2jov s PRO 28 Ca -0.02 2.43 0.10 0.00 0.02 0.00 0.00 61.00 63.53 2jov s PRO 28 Cb -0.08 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 2jov s PRO 28 CO 0.01 -0.45 -0.06 0.14 -0.33 0.00 0.00 177.00 176.31 2jov s VAL 29 N -0.59 3.17 0.31 3.83 -7.23 -0.03 -4.81 120.40 115.06 2jov s VAL 29 Ca 0.56 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 2jov s VAL 29 Cb -0.44 -2.69 -0.10 0.00 0.56 0.00 0.00 36.38 33.71 2jov s VAL 29 CO 0.52 -0.38 1.26 -1.61 -0.31 0.00 0.00 175.10 174.59 2jov s GLU 30 N -3.63 4.42 0.56 4.82 2.02 -1.26 -0.80 118.70 124.83 2jov s GLU 30 Ca 0.31 2.12 0.25 0.00 0.02 0.00 0.00 54.97 57.67 2jov s GLU 30 Cb -0.06 -3.10 1.61 0.00 0.10 0.00 0.00 34.13 32.67 2jov s GLU 30 CO 0.19 -0.10 2.21 -0.84 0.02 0.00 0.00 175.26 176.73 2jov h ILE 31 N 3.08 0.71 0.00 -1.63 3.07 -1.89 0.51 117.51 121.36 2jov h ILE 31 Ca -0.48 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 65.90 2jov h ILE 31 Cb 1.22 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 2jov h ILE 31 CO 0.66 0.01 0.00 0.28 -1.05 0.00 0.00 178.15 178.05 2jov h SER 32 N 0.00 0.00 0.24 2.16 0.02 -1.96 -2.97 113.55 111.04 2jov h SER 32 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jov h SER 32 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2jov h SER 32 CO 0.00 0.00 -0.28 0.29 -1.14 0.00 0.00 176.83 175.70 2jov n LYS 33 N -2.68 0.80 0.14 3.45 5.02 0.17 -3.88 118.16 121.17 2jov n LYS 33 Ca 0.03 -0.48 0.09 0.00 -2.02 0.00 0.00 58.31 55.93 2jov n LYS 33 Cb 0.37 -1.49 0.58 0.00 -0.02 0.00 0.00 35.03 34.47 2jov n LYS 33 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2jov h TRP 34 N 1.16 0.16 -0.09 2.13 4.06 -1.54 -1.39 115.95 120.45 2jov h TRP 34 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 2jov h TRP 34 Cb 0.51 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.62 2jov h TRP 34 CO 0.00 0.09 -0.03 0.82 -3.56 0.00 0.00 178.44 175.76 2jov h ILE 35 N 0.16 1.31 -0.12 1.49 2.04 -1.80 -1.86 117.51 118.73 2jov h ILE 35 Ca 0.09 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 64.97 2jov h ILE 35 Cb 0.15 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 2jov h ILE 35 CO -0.01 0.28 -0.07 0.44 0.00 0.00 0.00 178.15 178.79 2jov h ASP 36 N -0.18 -0.24 -0.53 1.72 5.19 -1.55 -0.95 116.42 119.89 2jov h ASP 36 Ca 0.02 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.44 2jov h ASP 36 Cb 0.47 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 2jov h ASP 36 CO 0.01 -0.10 0.19 -0.26 -3.12 0.00 0.00 179.24 175.96 2jov h PHE 37 N -0.07 0.87 -0.65 4.55 -1.00 -1.34 -2.25 116.94 117.05 2jov h PHE 37 Ca 0.07 -0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 2jov h PHE 37 Cb 0.18 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.45 2jov h PHE 37 CO -0.20 0.69 0.25 0.77 -1.61 0.00 0.00 178.31 178.21 2jov h SER 38 N 0.83 0.91 -0.37 2.17 0.02 -0.63 0.19 113.55 116.67 2jov h SER 38 Ca 0.19 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2jov h SER 38 Cb 0.22 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2jov h SER 38 CO -0.01 0.84 0.13 0.78 -1.14 0.00 0.00 176.83 177.43 2jov h ASN 39 N 0.92 0.59 -0.05 3.07 4.21 -0.79 0.12 115.58 123.64 2jov h ASN 39 Ca 0.21 -0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.62 2jov h ASN 39 Cb 0.23 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2jov h ASN 39 CO -0.02 0.57 -0.06 0.58 -1.29 0.00 0.00 177.43 177.22 2jov h VAL 40 N 0.63 1.38 -0.70 2.81 2.07 -0.90 -3.09 116.25 118.45 2jov h VAL 40 Ca 0.15 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 2jov h VAL 40 Cb 0.20 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 2jov h VAL 40 CO -0.01 0.34 0.16 -0.07 0.02 0.00 0.00 177.57 178.01 2jov h LEU 41 N -0.32 1.07 -0.44 2.57 4.07 -0.71 -1.68 115.31 119.86 2jov h LEU 41 Ca 0.01 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.74 2jov h LEU 41 Cb 0.57 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.03 2jov h LEU 41 CO 0.01 1.03 0.00 -1.20 -1.08 0.00 0.00 178.44 177.20 2jov n SER 42 N -4.23 0.29 -0.05 -0.43 7.64 0.38 -1.05 113.62 116.16 2jov n SER 42 Ca 0.05 0.59 0.08 0.00 1.01 0.00 0.00 58.87 60.60 2jov n SER 42 Cb 0.26 -0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 62.74 2jov n SER 42 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jov n ARG 43 N -1.84 1.78 -3.60 1.43 3.00 -0.70 -4.96 116.66 111.76 2jov n ARG 43 Ca 0.02 -0.11 -0.37 0.00 -0.00 0.00 0.00 57.85 57.38 2jov n ARG 43 Cb 0.13 -1.25 -0.09 0.00 0.00 0.00 0.00 32.46 31.24 2jov n ARG 43 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jov s LEU 44 N -2.65 4.10 -0.17 6.15 2.96 -0.22 -5.06 118.68 123.79 2jov s LEU 44 Ca 0.07 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 2jov s LEU 44 Cb 0.12 -2.17 0.03 0.00 0.50 0.00 0.00 46.19 44.67 2jov s LEU 44 CO 0.62 0.02 -0.11 -0.31 -1.32 0.00 0.00 176.35 175.24 2jov s TYR 45 N 1.25 2.17 0.45 5.38 1.51 -1.26 -4.33 117.35 122.52 2jov s TYR 45 Ca 0.09 -1.33 0.05 0.00 -1.01 0.00 0.00 57.07 54.87 2jov s TYR 45 Cb -0.14 -1.56 0.05 0.00 -0.11 0.00 0.00 41.96 40.21 2jov s TYR 45 CO 0.06 -0.69 0.45 1.33 -1.11 0.00 0.00 175.55 175.60 2jov n VAL 46 N 4.76 0.00 -2.70 0.71 0.24 -1.20 -4.94 118.33 115.20 2jov n VAL 46 Ca -0.15 -1.68 -0.06 0.00 -2.04 0.00 0.00 64.34 60.41 2jov n VAL 46 Cb 0.48 -0.31 0.09 0.00 -1.47 0.00 0.00 33.84 32.63 2jov n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jov n GLY 47 N -0.49 1.56 2.86 7.63 0.00 -1.26 -0.08 105.19 115.42 2jov n GLY 47 Ca 0.04 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 2jov n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jov s VAL 48 N -1.35 0.83 -0.73 1.61 1.01 -1.25 -4.55 120.40 115.97 2jov s VAL 48 Ca 0.22 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.76 2jov s VAL 48 Cb 0.42 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 2jov s VAL 48 CO -0.05 0.32 1.68 -2.16 0.00 0.00 0.00 175.10 174.89 2jov s PRO 49 N 1.79 2.85 0.49 2.72 0.04 -1.26 -4.98 135.00 136.64 2jov s PRO 49 Ca 0.05 0.09 0.05 0.00 0.04 0.00 0.00 61.00 61.22 2jov s PRO 49 Cb -0.13 -4.52 0.02 0.00 0.04 0.00 0.00 34.50 29.92 2jov s PRO 49 CO -0.07 -2.63 0.67 0.95 0.04 0.00 0.00 177.00 175.96 2jov s THR 50 N 7.96 2.82 0.00 1.26 -4.23 -1.26 -4.77 115.64 117.42 2jov s THR 50 Ca 0.57 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 2jov s THR 50 Cb -0.09 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2jov s THR 50 CO 0.13 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.50 2jov n LYS 51 N -2.10 3.89 -3.23 3.99 5.02 -1.26 0.72 118.16 125.19 2jov n LYS 51 Ca 0.08 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.97 2jov n LYS 51 Cb 0.59 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.53 2jov n LYS 51 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jov s SER 52 N -1.00 6.43 0.00 4.39 1.04 -1.26 -3.81 113.70 119.49 2jov s SER 52 Ca 0.00 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2jov s SER 52 Cb 0.00 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2jov s SER 52 CO 0.00 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2jov n GLY 53 N 4.42 0.83 3.03 7.32 0.00 0.12 -4.92 105.19 116.00 2jov n GLY 53 Ca -0.04 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 2jov n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jov s ASN 54 N -2.13 1.93 -0.46 1.61 0.01 -0.80 -4.93 114.94 110.16 2jov s ASN 54 Ca 0.00 -0.33 -0.29 0.00 -0.71 0.00 0.00 52.86 51.53 2jov s ASN 54 Cb 0.00 -0.89 0.03 0.00 0.41 0.00 0.00 41.25 40.80 2jov s ASN 54 CO 0.00 0.03 1.18 -0.69 -1.51 0.00 0.00 177.10 176.11 2jov s VAL 55 N 0.71 4.17 -0.06 1.60 1.01 -1.26 -0.77 120.40 125.80 2jov s VAL 55 Ca -0.14 1.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.89 2jov s VAL 55 Cb -0.16 -4.53 -0.30 0.00 0.00 0.00 0.00 36.38 31.40 2jov s VAL 55 CO 0.03 -0.94 0.70 0.58 0.00 0.00 0.00 175.10 175.48 2jov h VAL 56 N 6.24 1.13 -3.30 2.92 2.07 -0.53 -3.44 116.25 121.35 2jov h VAL 56 Ca -0.24 -2.49 -0.58 0.00 0.82 0.00 0.00 66.70 64.22 2jov h VAL 56 Cb 1.07 2.86 -0.40 0.00 -1.52 0.00 0.00 31.29 33.30 2jov h VAL 56 CO 1.12 0.75 -0.76 0.00 0.02 0.00 0.00 177.57 178.70 2jov s LYS 58 N 1.57 4.43 -1.24 0.00 2.20 -1.26 -0.87 119.74 124.57 2jov s LYS 58 Ca 0.05 1.06 -0.04 0.00 -0.36 0.00 0.00 55.97 56.69 2jov s LYS 58 Cb -0.18 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2jov s LYS 58 CO -0.17 -0.08 0.77 -1.71 -0.36 0.00 0.00 175.35 173.80 2jov n ASN 59 N 4.22 -2.52 -4.74 1.43 2.85 -1.16 -4.93 115.26 110.42 2jov n ASN 59 Ca 0.02 -0.81 -0.41 0.00 -0.11 0.00 0.00 54.58 53.27 2jov n ASN 59 Cb 0.50 -4.23 -0.04 0.00 1.24 0.00 0.00 39.78 37.26 2jov n ASN 59 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 2jov s ILE 60 N -3.57 3.85 -0.64 -1.44 2.07 -0.32 -3.00 121.20 118.14 2jov s ILE 60 Ca 0.12 1.59 0.00 0.00 -1.41 0.00 0.00 60.65 60.96 2jov s ILE 60 Cb -0.03 -4.02 0.00 0.00 0.13 0.00 0.00 42.46 38.54 2jov s ILE 60 CO 0.80 0.27 0.00 0.23 -1.91 0.00 0.00 174.94 174.33 2jov n MET 61 N 2.40 -1.34 -1.17 3.50 2.81 -1.26 -3.09 117.12 118.97 2jov n MET 61 Ca 0.03 0.63 -0.06 0.00 -1.81 0.00 0.00 57.70 56.49 2jov n MET 61 Cb 0.46 -4.77 -0.02 0.00 -0.71 0.00 0.00 33.22 28.17 2jov n MET 61 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2jov n ASN 62 N -0.66 -5.51 -0.09 7.83 4.13 -1.16 -4.79 115.26 115.00 2jov n ASN 62 Ca -0.06 0.14 0.13 0.00 1.68 0.00 0.00 54.58 56.47 2jov n ASN 62 Cb 0.43 -3.52 0.41 0.00 -1.54 0.00 0.00 39.78 35.56 2jov n ASN 62 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2jov n THR 63 N -2.23 0.00 0.00 3.41 5.66 -1.18 -4.92 114.28 115.03 2jov n THR 63 Ca -0.06 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 2jov n THR 63 Cb 0.49 0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 2jov n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jov n GLY 64 N 1.41 1.23 3.75 1.09 0.00 -1.26 -5.04 105.19 106.37 2jov n GLY 64 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2jov n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jov s VAL 65 N -2.29 3.46 -0.20 1.61 1.01 -1.26 -4.58 120.40 118.15 2jov s VAL 65 Ca 0.00 1.36 -0.01 0.00 0.00 0.00 0.00 61.98 63.33 2jov s VAL 65 Cb 0.00 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2jov s VAL 65 CO 0.00 0.28 -0.12 -1.81 0.00 0.00 0.00 175.10 173.45 2jov s ASP 66 N -0.42 3.72 -0.33 3.32 1.01 -1.26 -1.17 116.67 121.53 2jov s ASP 66 Ca 0.48 -0.52 -0.29 0.00 0.71 0.00 0.00 52.55 52.93 2jov s ASP 66 Cb -0.33 -1.61 0.02 0.00 1.01 0.00 0.00 42.92 42.01 2jov s ASP 66 CO 0.40 -0.01 1.08 -0.63 0.21 0.00 0.00 175.17 176.22 2jov s ILE 67 N 1.36 4.49 -0.11 0.77 -1.09 -0.05 -2.89 121.20 123.69 2jov s ILE 67 Ca 0.05 1.70 0.02 0.00 -2.23 0.00 0.00 60.65 60.19 2jov s ILE 67 Cb -0.14 -4.43 -0.01 0.00 -1.58 0.00 0.00 42.46 36.30 2jov s ILE 67 CO -0.08 -0.52 -0.17 0.27 -1.23 0.00 0.00 174.94 173.21 2jov s ILE 68 N 3.71 2.71 0.20 2.92 -4.36 -0.34 0.29 121.20 126.33 2jov s ILE 68 Ca 0.46 -0.80 -0.29 0.00 -0.26 0.00 0.00 60.65 59.76 2jov s ILE 68 Cb -0.12 -2.09 -0.08 0.00 1.25 0.00 0.00 42.46 41.42 2jov s ILE 68 CO 0.16 0.55 0.90 0.00 0.24 0.00 0.00 174.94 176.79 2jov n THR 70 N 1.68 0.48 -3.73 0.00 5.66 -1.04 0.10 114.28 117.44 2jov n THR 70 Ca -0.02 -0.59 -0.35 0.00 -3.05 0.00 0.00 64.05 60.03 2jov n THR 70 Cb 0.48 0.85 -0.08 0.00 -1.55 0.00 0.00 70.33 70.03 2jov n THR 70 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2jov s LYS 71 N -0.48 4.11 -0.50 1.09 2.20 -1.25 -4.14 119.74 120.76 2jov s LYS 71 Ca 0.00 -0.18 -0.28 0.00 -0.36 0.00 0.00 55.97 55.14 2jov s LYS 71 Cb 0.00 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 2jov s LYS 71 CO 0.00 0.35 1.39 -0.80 -0.36 0.00 0.00 175.35 175.93 2jov s ASN 72 N 0.21 6.24 -0.41 1.43 0.02 -1.26 -4.37 114.94 116.81 2jov s ASN 72 Ca 0.09 0.48 -0.28 0.00 -1.02 0.00 0.00 52.86 52.14 2jov s ASN 72 Cb -0.11 -2.54 0.02 0.00 0.02 0.00 0.00 41.25 38.64 2jov s ASN 72 CO -0.01 -1.58 1.05 -0.76 0.02 0.00 0.00 177.10 175.82 2jov s LEU 73 N 5.72 3.84 -0.07 0.60 1.43 0.22 -4.96 118.68 125.45 2jov s LEU 73 Ca 0.55 0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 53.95 2jov s LEU 73 Cb -0.11 -3.44 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 2jov s LEU 73 CO 0.28 -1.05 1.84 -2.16 0.23 0.00 0.00 176.35 175.50 2jov s PRO 74 N 3.94 3.96 -0.40 1.29 0.04 -1.26 -4.41 135.00 138.16 2jov s PRO 74 Ca 0.44 2.24 -0.28 0.00 0.04 0.00 0.00 61.00 63.43 2jov s PRO 74 Cb -0.10 -4.11 -0.01 0.00 0.04 0.00 0.00 34.50 30.31 2jov s PRO 74 CO 0.24 -1.14 1.74 0.15 0.04 0.00 0.00 177.00 178.03 2jov s LYS 75 N 4.62 3.25 -1.47 4.56 1.02 -1.26 -3.18 119.74 127.27 2jov s LYS 75 Ca 0.82 1.18 -0.12 0.00 0.02 0.00 0.00 55.97 57.87 2jov s LYS 75 Cb -0.35 -4.20 -0.02 0.00 -0.52 0.00 0.00 37.83 32.73 2jov s LYS 75 CO 0.35 -1.97 2.50 -3.47 -0.92 0.00 0.00 175.35 171.84 2jov n ASP 76 N 10.47 5.77 -3.55 2.83 2.03 -1.26 -4.67 116.55 128.17 2jov n ASP 76 Ca 0.21 -2.71 0.01 0.00 0.52 0.00 0.00 54.79 52.82 2jov n ASP 76 Cb 0.48 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.25 2jov n ASP 76 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2jov s SER 77 N 2.89 -0.28 0.22 1.67 0.15 -1.26 -4.97 113.70 112.12 2jov s SER 77 Ca 0.56 0.42 0.06 0.00 0.70 0.00 0.00 55.95 57.70 2jov s SER 77 Cb 0.15 1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 65.60 2jov s SER 77 CO -0.07 -0.06 0.18 -0.76 1.20 0.00 0.00 173.24 173.73 2jov s LEU 78 N 1.46 3.84 -0.81 3.45 1.43 -1.26 -5.03 118.68 121.76 2jov s LEU 78 Ca -0.07 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 52.59 2jov s LEU 78 Cb -0.03 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.79 2jov s LEU 78 CO -0.13 -0.00 1.67 -0.70 0.23 0.00 0.00 176.35 177.42 2jov s GLU 79 N -3.59 2.93 -0.37 1.70 2.56 -1.26 -4.94 118.70 115.73 2jov s GLU 79 Ca 0.32 -0.19 -0.11 0.00 0.00 0.00 0.00 54.97 54.99 2jov s GLU 79 Cb -0.09 -4.73 0.03 0.00 2.00 0.00 0.00 34.13 31.34 2jov s GLU 79 CO 0.25 -2.67 0.21 -1.58 -0.56 0.00 0.00 175.26 170.90 2jov s HIS 80 N 7.76 3.24 -0.08 5.30 5.65 -1.26 -5.04 115.29 130.86 2jov s HIS 80 Ca 0.56 -0.93 -0.03 0.00 0.25 0.00 0.00 55.06 54.91 2jov s HIS 80 Cb -0.07 -2.45 0.05 0.00 -1.18 0.00 0.00 32.58 28.93 2jov s HIS 80 CO 0.07 -0.64 0.16 -3.38 -0.65 0.00 0.00 174.74 170.30 2jov s HIS 81 N 1.56 -0.18 -0.10 3.88 -3.43 -1.26 -5.14 115.29 110.63 2jov s HIS 81 Ca 0.02 0.60 -0.18 0.00 -0.80 0.00 0.00 55.06 54.70 2jov s HIS 81 Cb -0.19 -0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.67 2jov s HIS 81 CO 0.07 -0.26 0.49 -1.01 -2.00 0.00 0.00 174.74 172.02 2jov s HIS 82 N 2.18 3.54 -0.30 0.38 3.76 -1.26 -4.91 115.29 118.68 2jov s HIS 82 Ca 0.02 0.93 0.11 0.00 -0.15 0.00 0.00 55.06 55.97 2jov s HIS 82 Cb -0.12 -2.54 0.36 0.00 1.11 0.00 0.00 32.58 31.38 2jov s HIS 82 CO -0.06 0.21 1.41 1.58 -0.85 0.00 0.00 174.74 177.04 2jov n HIS 83 N 3.47 -1.85 -0.84 1.40 -0.00 -1.26 -5.00 115.22 111.13 2jov n HIS 83 Ca -0.07 -1.52 -0.09 0.00 -0.00 0.00 0.00 57.72 56.03 2jov n HIS 83 Cb 0.52 1.45 -0.13 0.00 -0.00 0.00 0.00 29.99 31.83 2jov n HIS 83 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jov n HIS 84 N -1.31 0.00 -0.61 1.57 -0.00 -1.26 -5.38 115.22 108.24 2jov n HIS 84 Ca -0.15 -1.32 0.00 0.00 0.46 0.00 0.00 57.72 56.71 2jov n HIS 84 Cb 0.83 -1.31 0.00 0.00 -0.12 0.00 0.00 29.99 29.40 2jov n HIS 84 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52