#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 3.19 -0.10 2.03 5.65 -1.26 -4.97 115.29 119.82 2jov s HIS 2 Ca 0.00 -0.66 -0.27 0.00 0.25 0.00 0.00 55.06 54.38 2jov s HIS 2 Cb 0.00 -2.37 -0.02 0.00 -1.18 0.00 0.00 32.58 29.01 2jov s HIS 2 CO 0.00 -0.50 0.90 0.15 -0.65 0.00 0.00 174.74 174.65 2jov s LYS 3 N 1.60 4.41 0.34 2.88 1.02 -1.26 -0.42 119.74 128.30 2jov s LYS 3 Ca 0.04 1.21 0.07 0.00 0.02 0.00 0.00 55.97 57.31 2jov s LYS 3 Cb -0.17 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 2jov s LYS 3 CO 0.06 -0.22 0.30 0.34 -0.92 0.00 0.00 175.35 174.91 2jov s ASP 4 N 1.06 1.69 -0.61 2.83 -1.08 0.13 -4.77 116.67 115.92 2jov s ASP 4 Ca 0.44 -1.76 -0.22 0.00 -0.52 0.00 0.00 52.55 50.50 2jov s ASP 4 Cb -0.18 0.57 0.07 0.00 -1.46 0.00 0.00 42.92 41.92 2jov s ASP 4 CO 0.18 -1.09 0.87 -0.63 0.52 0.00 0.00 175.17 175.02 2jov s ILE 5 N -3.38 4.49 -0.30 4.11 -1.09 -1.26 0.25 121.20 124.02 2jov s ILE 5 Ca 0.40 -0.35 -0.28 0.00 -2.23 0.00 0.00 60.65 58.20 2jov s ILE 5 Cb 0.02 -4.57 -0.06 0.00 -1.58 0.00 0.00 42.46 36.27 2jov s ILE 5 CO 0.28 -1.25 2.28 0.33 -1.23 0.00 0.00 174.94 175.35 2jov n PHE 6 N 7.24 1.80 -4.85 3.97 7.35 -1.26 -4.80 117.46 126.91 2jov n PHE 6 Ca -0.04 -0.05 -0.32 0.00 -0.76 0.00 0.00 57.45 56.28 2jov n PHE 6 Cb 0.45 -2.70 -0.16 0.00 0.35 0.00 0.00 39.48 37.42 2jov n PHE 6 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2jov s THR 7 N 9.35 2.28 0.07 -2.13 2.01 -1.26 -1.81 115.64 124.15 2jov s THR 7 Ca 1.01 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 2jov s THR 7 Cb -0.31 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.29 2jov s THR 7 CO 0.33 0.54 0.12 -0.24 -0.69 0.00 0.00 174.62 174.68 2jov n SER 8 N 3.81 -0.33 -4.18 3.53 2.88 -0.17 -5.00 113.62 114.16 2jov n SER 8 Ca -0.19 -1.35 -0.25 0.00 -1.33 0.00 0.00 58.87 55.75 2jov n SER 8 Cb 0.52 0.59 -0.15 0.00 -0.75 0.00 0.00 64.21 64.42 2jov n SER 8 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2jov s VAL 9 N -2.63 1.44 0.19 2.46 -7.23 -1.26 0.16 120.40 113.53 2jov s VAL 9 Ca 0.05 -0.83 0.11 0.00 -1.81 0.00 0.00 61.98 59.50 2jov s VAL 9 Cb -0.00 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 2jov s VAL 9 CO 0.03 0.37 -0.23 0.54 -0.31 0.00 0.00 175.10 175.50 2jov s VAL 10 N -0.48 2.27 -0.05 1.32 0.11 -0.42 -4.94 120.40 118.21 2jov s VAL 10 Ca 0.07 -2.01 -0.27 0.00 -2.93 0.00 0.00 61.98 56.84 2jov s VAL 10 Cb -0.07 -2.08 -0.03 0.00 -1.53 0.00 0.00 36.38 32.67 2jov s VAL 10 CO -0.00 -0.14 0.89 -0.13 -3.33 0.00 0.00 175.10 172.38 2jov s ARG 11 N -2.66 4.48 -0.04 1.54 0.52 -1.26 -1.68 118.95 119.85 2jov s ARG 11 Ca 0.20 1.21 -0.09 0.00 -0.52 0.00 0.00 55.73 56.53 2jov s ARG 11 Cb -0.08 -3.48 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 2jov s ARG 11 CO 0.09 -0.08 0.26 0.08 0.02 0.00 0.00 175.30 175.67 2jov s VAL 12 N 1.20 5.30 -0.29 3.52 1.01 0.16 -3.86 120.40 127.44 2jov s VAL 12 Ca 0.46 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 2jov s VAL 12 Cb -0.19 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.74 2jov s VAL 12 CO 0.22 0.50 0.12 -0.60 0.00 0.00 0.00 175.10 175.34 2jov s ARG 13 N -1.35 0.36 0.00 2.72 3.52 -0.63 -4.57 118.95 118.99 2jov s ARG 13 Ca 0.22 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 2jov s ARG 13 Cb -0.14 -1.47 0.00 0.00 -1.56 0.00 0.00 34.95 31.78 2jov s ARG 13 CO 0.11 -0.99 0.00 0.41 -0.81 0.00 0.00 175.30 174.03 2jov n GLY 14 N 5.12 -1.40 3.43 8.12 0.00 -1.26 -2.81 105.19 116.40 2jov n GLY 14 Ca -0.05 -1.00 -0.44 0.00 0.00 0.00 0.00 46.02 44.54 2jov n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jov n SER 15 N 0.67 5.09 -3.54 1.61 2.88 -1.26 -4.86 113.62 114.20 2jov n SER 15 Ca 0.00 -2.97 -0.17 0.00 -1.33 0.00 0.00 58.87 54.41 2jov n SER 15 Cb 0.00 -1.62 -0.06 0.00 -0.75 0.00 0.00 64.21 61.78 2jov n SER 15 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2jov s LYS 16 N 2.33 0.98 -0.12 -1.46 0.00 -1.26 -3.72 119.74 116.49 2jov s LYS 16 Ca 0.46 0.34 -0.00 0.00 0.00 0.00 0.00 55.97 56.77 2jov s LYS 16 Cb 0.01 0.47 0.09 0.00 0.00 0.00 0.00 37.83 38.40 2jov s LYS 16 CO 0.02 -0.29 1.82 1.17 0.00 0.00 0.00 175.35 178.07 2jov n LYS 17 N 1.12 1.30 -3.34 1.78 4.81 -1.18 -4.56 118.16 118.09 2jov n LYS 17 Ca -0.18 -0.60 -0.08 0.00 -0.87 0.00 0.00 58.31 56.58 2jov n LYS 17 Cb 0.57 -1.24 -0.07 0.00 0.02 0.00 0.00 35.03 34.31 2jov n LYS 17 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2jov s TYR 18 N -0.69 -0.88 -2.10 5.64 2.02 -1.26 -5.01 117.35 115.07 2jov s TYR 18 Ca 0.12 0.83 0.14 0.00 -0.37 0.00 0.00 57.07 57.79 2jov s TYR 18 Cb 0.09 0.03 0.47 0.00 -0.40 0.00 0.00 41.96 42.15 2jov s TYR 18 CO 0.00 -0.75 1.36 0.09 -1.57 0.00 0.00 175.55 174.69 2jov n ASN 19 N 5.37 1.81 -3.78 2.29 4.13 -1.26 -4.64 115.26 119.17 2jov n ASN 19 Ca -0.03 -1.89 -0.14 0.00 1.68 0.00 0.00 54.58 54.20 2jov n ASN 19 Cb 0.50 -0.19 -0.15 0.00 -1.54 0.00 0.00 39.78 38.40 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2jov s VAL 20 N -1.62 -0.04 -0.04 2.41 -7.23 -1.26 0.36 120.40 112.98 2jov s VAL 20 Ca 0.27 0.16 0.02 0.00 -1.81 0.00 0.00 61.98 60.61 2jov s VAL 20 Cb 0.14 -0.14 0.02 0.00 0.56 0.00 0.00 36.38 36.96 2jov s VAL 20 CO 0.20 0.06 -0.06 0.54 -0.31 0.00 0.00 175.10 175.53 2jov s VAL 21 N 0.87 0.66 -0.03 1.32 0.11 -0.68 -4.90 120.40 117.75 2jov s VAL 21 Ca -0.07 -0.22 -0.30 0.00 -2.93 0.00 0.00 61.98 58.46 2jov s VAL 21 Cb -0.10 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 2jov s VAL 21 CO -0.03 0.24 1.34 -2.16 -3.33 0.00 0.00 175.10 171.15 2jov s PRO 22 N 0.67 4.30 0.20 1.54 0.04 -1.26 -1.30 135.00 139.18 2jov s PRO 22 Ca -0.10 1.86 0.10 0.00 0.04 0.00 0.00 61.00 62.90 2jov s PRO 22 Cb -0.13 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 2jov s PRO 22 CO 0.01 -0.55 -0.12 0.14 0.04 0.00 0.00 177.00 176.51 2jov s VAL 23 N 2.48 3.00 0.23 -0.36 -7.23 0.12 -2.46 120.40 116.18 2jov s VAL 23 Ca 0.61 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 2jov s VAL 23 Cb -0.29 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2jov s VAL 23 CO 0.24 -0.16 0.14 -1.59 -0.31 0.00 0.00 175.10 173.42 2jov s LYS 24 N -2.93 1.32 -0.16 4.82 -2.85 0.41 -1.00 119.74 119.36 2jov s LYS 24 Ca 0.25 -1.71 -0.04 0.00 -1.00 0.00 0.00 55.97 53.47 2jov s LYS 24 Cb -0.08 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 2jov s LYS 24 CO 0.15 -0.41 -0.04 -1.12 0.10 0.00 0.00 175.35 174.03 2jov s SER 25 N -3.22 4.75 0.47 0.03 0.01 -0.75 -1.69 113.70 113.30 2jov s SER 25 Ca 0.39 -0.15 0.27 0.00 1.31 0.00 0.00 55.95 57.76 2jov s SER 25 Cb 0.07 -1.78 0.93 0.00 0.21 0.00 0.00 66.02 65.45 2jov s SER 25 CO 0.14 0.16 1.82 -0.55 0.41 0.00 0.00 173.24 175.22 2jov h ASN 26 N 6.80 0.00 -3.85 2.44 -1.07 -1.91 -3.43 115.58 114.55 2jov h ASN 26 Ca -0.31 0.00 -0.68 0.00 0.07 0.00 0.00 56.30 55.37 2jov h ASN 26 Cb 1.19 0.00 -0.27 0.00 -2.07 0.00 0.00 38.32 37.17 2jov h ASN 26 CO 0.62 0.13 -0.81 -0.75 0.07 0.00 0.00 177.43 176.69 2jov s LYS 27 N -3.54 2.75 -0.13 4.14 2.47 -1.26 -5.00 119.74 119.17 2jov s LYS 27 Ca 0.02 -0.76 -0.29 0.00 -1.56 0.00 0.00 55.97 53.38 2jov s LYS 27 Cb 0.09 -2.37 -0.05 0.00 -1.46 0.00 0.00 37.83 34.04 2jov s LYS 27 CO 0.62 0.44 1.76 -1.25 0.16 0.00 0.00 175.35 177.07 2jov s PRO 28 N -0.26 3.87 0.05 4.03 0.04 -1.26 -4.74 135.00 136.74 2jov s PRO 28 Ca 0.01 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.08 2jov s PRO 28 Cb -0.13 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 2jov s PRO 28 CO 0.03 -1.22 0.06 0.14 0.04 0.00 0.00 177.00 176.05 2jov s VAL 29 N 5.16 4.48 0.39 -0.36 -7.23 0.14 -4.54 120.40 118.44 2jov s VAL 29 Ca 0.79 -0.70 -0.27 0.00 -1.81 0.00 0.00 61.98 59.99 2jov s VAL 29 Cb -0.31 -3.12 -0.09 0.00 0.56 0.00 0.00 36.38 33.42 2jov s VAL 29 CO 0.32 0.20 1.34 -1.61 -0.31 0.00 0.00 175.10 175.04 2jov s GLU 30 N -2.16 4.06 0.00 4.82 8.01 -1.26 0.18 118.70 132.36 2jov s GLU 30 Ca 0.27 2.25 0.00 0.00 0.01 0.00 0.00 54.97 57.49 2jov s GLU 30 Cb -0.12 -2.86 0.00 0.00 -4.31 0.00 0.00 34.13 26.84 2jov s GLU 30 CO 0.19 -0.45 0.53 0.44 0.01 0.00 0.00 175.26 175.99 2jov n ILE 31 N 0.32 0.22 0.12 -1.63 -5.35 0.44 -1.85 119.36 111.63 2jov n ILE 31 Ca 0.02 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.54 2jov n ILE 31 Cb 0.42 -0.55 0.05 0.00 -1.74 0.00 0.00 39.64 37.83 2jov n ILE 31 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2jov n SER 32 N 0.20 1.97 -1.19 7.28 7.64 -1.26 -4.60 113.62 123.67 2jov n SER 32 Ca 0.00 -1.58 0.08 0.00 1.01 0.00 0.00 58.87 58.38 2jov n SER 32 Cb 0.27 -0.06 0.29 0.00 -1.01 0.00 0.00 64.21 63.70 2jov n SER 32 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jov n LYS 33 N 0.27 3.43 -0.13 1.43 4.76 -0.77 -4.60 118.16 122.55 2jov n LYS 33 Ca 0.05 -2.74 -0.04 0.00 -2.87 0.00 0.00 58.31 52.71 2jov n LYS 33 Cb 0.25 -1.80 0.04 0.00 -1.84 0.00 0.00 35.03 31.67 2jov n LYS 33 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 2jov h TRP 34 N 2.84 -0.08 -0.25 2.13 4.06 -1.81 -2.75 115.95 120.10 2jov h TRP 34 Ca 0.00 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.04 2jov h TRP 34 Cb 1.37 0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 29.58 2jov h TRP 34 CO 0.60 -0.12 -0.11 0.97 -3.56 0.00 0.00 178.44 176.23 2jov h ILE 35 N 0.08 0.65 -0.13 1.49 2.10 -1.97 0.87 117.51 120.59 2jov h ILE 35 Ca 0.22 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 66.14 2jov h ILE 35 Cb 0.32 0.65 -0.01 0.00 -1.09 0.00 0.00 36.82 36.69 2jov h ILE 35 CO -0.39 0.00 0.02 0.44 -1.08 0.00 0.00 178.15 177.15 2jov h ASP 36 N -0.07 0.21 -0.22 2.19 3.32 -1.85 -1.79 116.42 118.20 2jov h ASP 36 Ca 0.13 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.82 2jov h ASP 36 Cb 0.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2jov h ASP 36 CO -0.30 0.41 -0.21 -0.26 -1.72 0.00 0.00 179.24 177.16 2jov h PHE 37 N -0.00 0.76 -0.73 4.55 0.04 -1.31 -2.46 116.94 117.78 2jov h PHE 37 Ca 0.04 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.61 2jov h PHE 37 Cb 0.29 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 2jov h PHE 37 CO 0.02 0.83 0.32 0.77 -0.60 0.00 0.00 178.31 179.65 2jov h SER 38 N 0.59 0.99 -0.60 2.17 0.02 -0.65 -0.83 113.55 115.25 2jov h SER 38 Ca 0.09 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 2jov h SER 38 Cb 0.69 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2jov h SER 38 CO 0.05 0.87 0.23 0.78 -1.14 0.00 0.00 176.83 177.62 2jov h ASN 39 N 1.04 0.83 -0.04 3.07 2.35 -1.07 -1.09 115.58 120.68 2jov h ASN 39 Ca 0.25 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2jov h ASN 39 Cb 0.17 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 2jov h ASN 39 CO -0.03 0.79 -0.01 0.58 -1.65 0.00 0.00 177.43 177.11 2jov h VAL 40 N 0.83 1.30 0.00 2.81 2.07 -1.15 -2.73 116.25 119.38 2jov h VAL 40 Ca 0.20 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 2jov h VAL 40 Cb 0.22 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2jov h VAL 40 CO -0.01 0.25 -0.32 -0.07 0.02 0.00 0.00 177.57 177.44 2jov h LEU 41 N -0.27 0.00 -1.10 2.57 3.38 -1.12 -0.87 115.31 117.89 2jov h LEU 41 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jov h LEU 41 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jov h LEU 41 CO 0.00 0.32 -0.03 -1.28 0.09 0.00 0.00 178.44 177.54 2jov h SER 42 N 0.00 0.00 -0.02 -0.43 0.87 -1.12 -2.76 113.55 110.09 2jov h SER 42 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jov h SER 42 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2jov h SER 42 CO 0.04 0.03 -0.14 0.54 -0.53 0.00 0.00 176.83 176.77 2jov n ARG 43 N -3.13 1.65 -3.56 2.24 1.74 -0.55 -4.82 116.66 110.24 2jov n ARG 43 Ca 0.01 -1.38 -0.41 0.00 -0.77 0.00 0.00 57.85 55.30 2jov n ARG 43 Cb 0.37 -1.37 -0.07 0.00 -1.02 0.00 0.00 32.46 30.37 2jov n ARG 43 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2jov s LEU 44 N -1.85 5.81 -0.83 0.55 2.96 -0.44 -5.00 118.68 119.88 2jov s LEU 44 Ca 0.20 -2.51 -0.16 0.00 -0.22 0.00 0.00 54.13 51.45 2jov s LEU 44 Cb 0.16 -2.00 0.18 0.00 0.50 0.00 0.00 46.19 45.02 2jov s LEU 44 CO 0.33 -0.53 0.87 -0.31 -1.32 0.00 0.00 176.35 175.38 2jov s TYR 45 N 0.46 3.48 -0.11 5.38 1.51 -1.26 -4.66 117.35 122.14 2jov s TYR 45 Ca 0.14 -1.69 -0.06 0.00 -1.01 0.00 0.00 57.07 54.45 2jov s TYR 45 Cb -0.19 -3.98 -0.04 0.00 -0.11 0.00 0.00 41.96 37.64 2jov s TYR 45 CO -0.04 -1.17 0.10 0.54 -1.11 0.00 0.00 175.55 173.86 2jov s VAL 46 N 1.23 5.12 0.00 0.71 0.11 -1.25 -4.61 120.40 121.71 2jov s VAL 46 Ca 0.21 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2jov s VAL 46 Cb -0.10 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 2jov s VAL 46 CO -0.07 0.60 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 2jov n GLY 47 N 2.14 1.65 0.84 6.54 0.00 -1.12 -1.61 105.19 113.63 2jov n GLY 47 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2jov n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jov n VAL 48 N 0.00 -3.29 -2.29 1.61 0.31 -1.26 -4.74 118.33 108.67 2jov n VAL 48 Ca 0.00 1.27 -0.39 0.00 -0.01 0.00 0.00 64.34 65.22 2jov n VAL 48 Cb 0.00 -1.75 -0.03 0.00 -0.91 0.00 0.00 33.84 31.15 2jov n VAL 48 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2jov s PRO 49 N -4.83 2.93 0.32 5.55 0.04 -1.26 -4.96 135.00 132.78 2jov s PRO 49 Ca 0.00 0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.15 2jov s PRO 49 Cb 0.00 -4.46 -0.03 0.00 0.04 0.00 0.00 34.50 30.04 2jov s PRO 49 CO 0.00 -2.52 0.20 0.95 0.04 0.00 0.00 177.00 175.67 2jov s THR 50 N 7.49 3.51 0.51 1.26 -4.23 -1.25 -4.89 115.64 118.04 2jov s THR 50 Ca 0.53 -1.53 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 2jov s THR 50 Cb -0.09 -3.12 -0.00 0.00 1.34 0.00 0.00 72.50 70.62 2jov s THR 50 CO 0.14 -0.22 0.16 -0.54 -0.54 0.00 0.00 174.62 173.61 2jov s LYS 51 N -3.89 2.21 0.22 3.99 1.02 -1.26 0.42 119.74 122.45 2jov s LYS 51 Ca 0.38 -2.20 -0.31 0.00 0.02 0.00 0.00 55.97 53.86 2jov s LYS 51 Cb -0.05 -1.78 -0.11 0.00 -0.52 0.00 0.00 37.83 35.37 2jov s LYS 51 CO 0.24 -0.40 1.62 0.45 -0.92 0.00 0.00 175.35 176.34 2jov s SER 52 N -4.01 6.46 0.00 2.83 0.15 -1.24 -2.87 113.70 115.02 2jov s SER 52 Ca 0.20 2.80 0.00 0.00 0.70 0.00 0.00 55.95 59.66 2jov s SER 52 Cb 0.01 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2jov s SER 52 CO 0.12 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2jov n GLY 53 N 3.27 1.13 3.67 9.45 0.00 0.02 -4.96 105.19 117.77 2jov n GLY 53 Ca 0.12 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2jov n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jov s ASN 54 N -2.34 6.40 -0.47 1.61 2.20 -1.06 -4.90 114.94 116.37 2jov s ASN 54 Ca 0.00 0.47 -0.24 0.00 -0.94 0.00 0.00 52.86 52.14 2jov s ASN 54 Cb 0.00 -2.22 0.03 0.00 -2.00 0.00 0.00 41.25 37.06 2jov s ASN 54 CO 0.00 -0.06 0.88 -0.69 -2.94 0.00 0.00 177.10 174.29 2jov s VAL 55 N 1.29 4.52 0.03 3.54 1.01 -1.26 -0.91 120.40 128.61 2jov s VAL 55 Ca 0.18 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.54 2jov s VAL 55 Cb -0.15 -4.42 -0.31 0.00 0.00 0.00 0.00 36.38 31.50 2jov s VAL 55 CO 0.08 -0.85 1.04 -0.37 0.00 0.00 0.00 175.10 175.00 2jov h VAL 56 N 6.04 1.32 -3.34 2.92 -1.51 -1.52 -3.43 116.25 116.74 2jov h VAL 56 Ca -0.25 -2.52 -0.57 0.00 -1.23 0.00 0.00 66.70 62.13 2jov h VAL 56 Cb 1.08 2.88 -0.40 0.00 -2.13 0.00 0.00 31.29 32.72 2jov h VAL 56 CO 1.02 0.75 -0.76 0.00 -1.23 0.00 0.00 177.57 177.35 2jov s LYS 58 N 1.59 4.35 -1.19 0.00 2.36 -1.26 -1.39 119.74 124.20 2jov s LYS 58 Ca 0.03 0.54 -0.02 0.00 -2.55 0.00 0.00 55.97 53.97 2jov s LYS 58 Cb -0.18 -3.45 0.00 0.00 -1.05 0.00 0.00 37.83 33.16 2jov s LYS 58 CO -0.15 0.11 1.00 0.09 1.55 0.00 0.00 175.35 177.96 2jov n ASN 59 N 3.78 -2.91 -4.75 1.43 4.13 -0.91 -4.94 115.26 111.09 2jov n ASN 59 Ca -0.06 -0.58 -0.41 0.00 1.68 0.00 0.00 54.58 55.21 2jov n ASN 59 Cb 0.51 -4.95 -0.01 0.00 -1.54 0.00 0.00 39.78 33.79 2jov n ASN 59 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2jov s ILE 60 N -3.34 2.12 -0.26 2.41 2.07 0.58 -1.19 121.20 123.59 2jov s ILE 60 Ca 0.12 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.46 2jov s ILE 60 Cb -0.05 -3.06 0.00 0.00 0.13 0.00 0.00 42.46 39.47 2jov s ILE 60 CO 0.70 0.02 0.00 0.23 -1.91 0.00 0.00 174.94 173.98 2jov n MET 61 N 1.95 -1.50 -2.30 3.50 2.81 -1.26 -2.61 117.12 117.71 2jov n MET 61 Ca 0.07 0.49 -0.19 0.00 -1.81 0.00 0.00 57.70 56.27 2jov n MET 61 Cb 0.38 -4.67 -0.02 0.00 -0.71 0.00 0.00 33.22 28.20 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 -0.76 -5.39 -0.20 7.83 3.02 -0.33 -4.83 115.26 114.59 2jov n ASN 62 Ca -0.02 0.09 0.09 0.00 -0.03 0.00 0.00 54.58 54.71 2jov n ASN 62 Cb 0.41 -4.54 -0.06 0.00 -0.61 0.00 0.00 39.78 34.99 2jov n ASN 62 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2jov n THR 63 N -3.66 0.00 -0.13 3.41 5.66 -1.07 -4.97 114.28 113.53 2jov n THR 63 Ca -0.22 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2jov n THR 63 Cb 0.66 1.10 0.00 0.00 -1.55 0.00 0.00 70.33 70.55 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 1.40 0.77 3.72 1.09 0.00 -1.26 -5.04 105.19 105.87 2jov n GLY 64 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.11 4.95 -0.35 1.61 1.01 -1.26 -4.64 120.40 119.60 2jov s VAL 65 Ca 0.00 1.59 -0.09 0.00 0.00 0.00 0.00 61.98 63.49 2jov s VAL 65 Cb 0.00 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.31 2jov s VAL 65 CO 0.00 0.26 0.15 -1.81 0.00 0.00 0.00 175.10 173.70 2jov s ASP 66 N 0.65 5.50 -0.48 3.32 1.01 -1.26 -0.30 116.67 125.11 2jov s ASP 66 Ca 0.40 -1.04 -0.29 0.00 0.71 0.00 0.00 52.55 52.34 2jov s ASP 66 Cb -0.19 -1.94 0.02 0.00 1.01 0.00 0.00 42.92 41.82 2jov s ASP 66 CO 0.21 -0.34 1.33 -0.63 0.21 0.00 0.00 175.17 175.94 2jov s ILE 67 N 1.48 3.96 -0.07 0.77 -1.09 -0.48 -3.12 121.20 122.65 2jov s ILE 67 Ca 0.00 0.94 0.03 0.00 -2.23 0.00 0.00 60.65 59.39 2jov s ILE 67 Cb -0.19 -4.40 -0.02 0.00 -1.58 0.00 0.00 42.46 36.26 2jov s ILE 67 CO 0.05 -0.96 -0.15 0.27 -1.23 0.00 0.00 174.94 172.91 2jov s ILE 68 N 5.30 2.96 -0.03 2.92 -4.36 -0.68 -1.14 121.20 126.16 2jov s ILE 68 Ca 0.54 -0.74 -0.17 0.00 -0.26 0.00 0.00 60.65 60.03 2jov s ILE 68 Cb -0.11 -2.18 -0.05 0.00 1.25 0.00 0.00 42.46 41.37 2jov s ILE 68 CO 0.30 0.57 0.46 0.00 0.24 0.00 0.00 174.94 176.51 2jov n THR 70 N 2.51 0.85 -3.98 0.00 5.66 -1.03 -0.80 114.28 117.50 2jov n THR 70 Ca -0.11 -0.93 -0.32 0.00 -3.05 0.00 0.00 64.05 59.65 2jov n THR 70 Cb 0.52 0.61 -0.05 0.00 -1.55 0.00 0.00 70.33 69.86 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 -1.02 3.23 -0.25 1.09 2.20 -1.26 -4.40 119.74 119.33 2jov s LYS 71 Ca 0.26 -0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 55.28 2jov s LYS 71 Cb 0.14 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 2jov s LYS 71 CO 0.19 0.62 0.17 -0.80 -0.36 0.00 0.00 175.35 175.17 2jov s ASN 72 N -2.21 6.10 -0.24 1.43 0.02 -1.26 -3.67 114.94 115.11 2jov s ASN 72 Ca 0.30 0.10 -0.06 0.00 -1.02 0.00 0.00 52.86 52.17 2jov s ASN 72 Cb -0.13 -2.11 -0.02 0.00 0.02 0.00 0.00 41.25 39.01 2jov s ASN 72 CO 0.22 0.04 0.03 -0.76 0.02 0.00 0.00 177.10 176.65 2jov s LEU 73 N 1.20 3.26 0.34 0.60 2.01 0.17 -4.98 118.68 121.28 2jov s LEU 73 Ca 0.08 -0.26 -0.26 0.00 0.01 0.00 0.00 54.13 53.69 2jov s LEU 73 Cb -0.14 -1.86 -0.09 0.00 0.01 0.00 0.00 46.19 44.11 2jov s LEU 73 CO 0.06 -0.02 1.05 -2.84 1.01 0.00 0.00 176.35 175.61 2jov s PRO 74 N 1.53 4.39 0.44 1.29 0.02 -1.26 -3.89 135.00 137.53 2jov s PRO 74 Ca 0.06 1.60 0.02 0.00 0.02 0.00 0.00 61.00 62.70 2jov s PRO 74 Cb -0.15 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.55 2jov s PRO 74 CO 0.01 0.04 0.64 0.21 -0.33 0.00 0.00 177.00 177.58 2jov s LYS 75 N -2.03 2.97 1.03 5.54 2.20 -1.26 -3.12 119.74 125.07 2jov s LYS 75 Ca 0.52 -0.68 -0.15 0.00 -0.36 0.00 0.00 55.97 55.30 2jov s LYS 75 Cb -0.26 -2.61 0.21 0.00 -1.51 0.00 0.00 37.83 33.66 2jov s LYS 75 CO 0.32 -0.28 1.13 0.16 -0.36 0.00 0.00 175.35 176.32 2jov s ASP 76 N -4.25 2.40 -0.18 1.43 -4.77 -1.24 -4.86 116.67 105.19 2jov s ASP 76 Ca 0.50 0.88 -0.03 0.00 -3.30 0.00 0.00 52.55 50.59 2jov s ASP 76 Cb -0.10 -1.34 -0.02 0.00 -1.09 0.00 0.00 42.92 40.37 2jov s ASP 76 CO 0.36 -3.23 -0.05 -0.55 0.70 0.00 0.00 175.17 172.40 2jov s SER 77 N -3.87 4.51 0.19 2.11 0.15 -1.26 -4.98 113.70 110.55 2jov s SER 77 Ca 0.67 -0.26 0.18 0.00 0.70 0.00 0.00 55.95 57.24 2jov s SER 77 Cb -0.14 -1.75 0.82 0.00 -1.71 0.00 0.00 66.02 63.24 2jov s SER 77 CO 0.56 0.09 1.54 0.18 1.20 0.00 0.00 173.24 176.81 2jov n LEU 78 N 4.06 0.41 -0.69 3.45 4.77 -1.26 -1.95 117.00 125.80 2jov n LEU 78 Ca -0.18 0.64 0.05 0.00 -0.03 0.00 0.00 56.01 56.49 2jov n LEU 78 Cb 0.52 -0.62 0.15 0.00 -2.33 0.00 0.00 43.42 41.13 2jov n LEU 78 CO 0.31 -0.60 0.60 1.21 -1.33 0.00 0.00 177.39 177.57 2jov n GLU 79 N -1.99 1.92 -0.15 3.23 2.13 -1.26 -3.82 120.64 120.70 2jov n GLU 79 Ca 0.01 -1.17 0.06 0.00 0.66 0.00 0.00 57.16 56.72 2jov n GLU 79 Cb 0.13 -1.36 0.37 0.00 0.27 0.00 0.00 31.44 30.84 2jov n GLU 79 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2jov h HIS 80 N 1.81 0.71 -3.55 4.31 3.86 -1.83 -3.32 115.15 117.14 2jov h HIS 80 Ca 0.00 0.02 -0.71 0.00 -1.16 0.00 0.00 60.37 58.52 2jov h HIS 80 Cb 0.57 -0.23 -0.27 0.00 1.06 0.00 0.00 27.41 28.53 2jov h HIS 80 CO 0.26 0.39 -0.52 -3.38 0.86 0.00 0.00 177.93 175.54 2jov s HIS 81 N -5.63 3.29 -0.45 2.45 0.00 -1.25 -5.05 115.29 108.65 2jov s HIS 81 Ca -0.09 -1.35 -0.12 0.00 -3.00 0.00 0.00 55.06 50.49 2jov s HIS 81 Cb 0.19 -2.62 0.08 0.00 -4.00 0.00 0.00 32.58 26.23 2jov s HIS 81 CO 0.76 -0.76 0.33 -1.58 -1.00 0.00 0.00 174.74 172.49 2jov s HIS 82 N 1.45 3.30 -0.69 0.38 2.46 -1.25 -5.03 115.29 115.92 2jov s HIS 82 Ca 0.01 -1.30 -0.27 0.00 0.47 0.00 0.00 55.06 53.97 2jov s HIS 82 Cb -0.21 -3.11 0.02 0.00 -0.13 0.00 0.00 32.58 29.16 2jov s HIS 82 CO 0.04 -0.84 1.35 -1.58 -2.47 0.00 0.00 174.74 171.23 2jov s HIS 83 N 1.51 2.25 0.11 3.88 5.65 -1.26 -4.98 115.29 122.46 2jov s HIS 83 Ca 0.04 0.15 -0.31 0.00 0.25 0.00 0.00 55.06 55.19 2jov s HIS 83 Cb -0.24 -4.53 -0.07 0.00 -1.18 0.00 0.00 32.58 26.56 2jov s HIS 83 CO 0.04 -2.03 1.27 -3.38 -0.65 0.00 0.00 174.74 169.98 2jov s HIS 84 N 6.04 3.36 0.00 3.88 -3.43 -1.26 -5.30 115.29 118.58 2jov s HIS 84 Ca 0.41 1.20 0.00 0.00 -0.80 0.00 0.00 55.06 55.88 2jov s HIS 84 Cb -0.09 -3.52 0.00 0.00 -1.43 0.00 0.00 32.58 27.54 2jov s HIS 84 CO 0.18 -1.67 0.00 1.58 -2.00 0.00 0.00 174.74 172.83