#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jov n HIS 2 N 0.00 0.00 -4.11 1.12 -0.00 -1.26 -5.08 115.22 105.89 2jov n HIS 2 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 2jov n HIS 2 Cb 0.00 -0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.91 2jov n HIS 2 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2jov s LYS 3 N 0.00 3.18 0.12 1.57 1.02 -1.26 -3.82 119.74 120.55 2jov s LYS 3 Ca 0.00 -0.34 -0.02 0.00 0.02 0.00 0.00 55.97 55.64 2jov s LYS 3 Cb 0.00 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2jov s LYS 3 CO 0.00 0.71 0.06 0.34 -0.92 0.00 0.00 175.35 175.54 2jov s ASP 4 N -1.25 0.32 -0.33 2.83 2.15 -0.14 -4.84 116.67 115.41 2jov s ASP 4 Ca 0.18 -1.15 -0.29 0.00 0.43 0.00 0.00 52.55 51.72 2jov s ASP 4 Cb -0.12 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 2jov s ASP 4 CO 0.07 -0.72 1.38 -0.63 -0.17 0.00 0.00 175.17 175.10 2jov s ILE 5 N -4.02 4.00 -0.27 4.11 -1.09 -1.26 -0.85 121.20 121.83 2jov s ILE 5 Ca 0.21 1.10 -0.28 0.00 -2.23 0.00 0.00 60.65 59.44 2jov s ILE 5 Cb 0.07 -4.12 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 2jov s ILE 5 CO -0.00 -0.56 2.26 0.33 -1.23 0.00 0.00 174.94 175.73 2jov n PHE 6 N 8.16 1.85 -4.06 3.97 7.35 -1.26 -4.80 117.46 128.67 2jov n PHE 6 Ca 0.16 -0.07 -0.29 0.00 -0.76 0.00 0.00 57.45 56.49 2jov n PHE 6 Cb 0.47 -2.70 -0.17 0.00 0.35 0.00 0.00 39.48 37.43 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 8.89 1.38 0.00 -2.13 2.01 -1.26 -1.07 115.64 123.46 2jov s THR 7 Ca 1.01 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.49 2jov s THR 7 Cb -0.34 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 70.85 2jov s THR 7 CO 0.35 0.43 0.00 -0.24 -0.69 0.00 0.00 174.62 174.46 2jov n SER 8 N 4.72 0.00 -4.11 3.53 2.88 0.06 -5.02 113.62 115.69 2jov n SER 8 Ca -0.16 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.20 2jov n SER 8 Cb 0.50 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.84 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 -1.94 0.92 0.12 2.46 -7.23 -1.26 -0.27 120.40 113.20 2jov s VAL 9 Ca 0.00 -1.01 0.09 0.00 -1.81 0.00 0.00 61.98 59.25 2jov s VAL 9 Cb 0.00 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 2jov s VAL 9 CO 0.00 -0.12 -0.18 0.54 -0.31 0.00 0.00 175.10 175.03 2jov s VAL 10 N -0.99 2.81 -0.22 1.32 0.11 0.07 -4.87 120.40 118.64 2jov s VAL 10 Ca -0.02 -1.55 -0.25 0.00 -2.93 0.00 0.00 61.98 57.23 2jov s VAL 10 Cb -0.08 -2.30 -0.01 0.00 -1.53 0.00 0.00 36.38 32.46 2jov s VAL 10 CO 0.01 0.08 0.85 -0.13 -3.33 0.00 0.00 175.10 172.58 2jov s ARG 11 N -2.20 4.23 -0.30 1.54 1.81 -1.26 -1.92 118.95 120.85 2jov s ARG 11 Ca 0.18 1.00 -0.11 0.00 -1.72 0.00 0.00 55.73 55.08 2jov s ARG 11 Cb -0.10 -3.62 -0.04 0.00 -0.45 0.00 0.00 34.95 30.74 2jov s ARG 11 CO 0.10 -0.46 0.20 0.08 -0.68 0.00 0.00 175.30 174.54 2jov s VAL 12 N 2.62 5.19 -0.26 3.52 1.01 0.77 -2.12 120.40 131.14 2jov s VAL 12 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 2jov s VAL 12 Cb -0.16 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.76 2jov s VAL 12 CO 0.09 0.16 0.07 -0.60 0.00 0.00 0.00 175.10 174.82 2jov s ARG 13 N 1.73 0.71 0.00 2.72 3.52 -0.78 -4.54 118.95 122.31 2jov s ARG 13 Ca 0.07 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 2jov s ARG 13 Cb -0.16 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 2jov s ARG 13 CO 0.10 -0.84 0.00 0.41 -0.81 0.00 0.00 175.30 174.16 2jov n GLY 14 N 4.94 -1.34 3.55 8.12 0.00 -1.25 -1.18 105.19 118.02 2jov n GLY 14 Ca -0.05 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 2jov n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jov s SER 15 N -3.27 6.03 0.00 1.61 0.15 -1.24 -4.85 113.70 112.13 2jov s SER 15 Ca 0.00 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2jov s SER 15 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2jov s SER 15 CO 0.00 -1.92 0.00 2.29 1.20 0.00 0.00 173.24 174.81 2jov n LYS 16 N 9.32 0.00 -3.39 5.44 -0.00 -1.26 -4.39 118.16 123.88 2jov n LYS 16 Ca 0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.13 2jov n LYS 16 Cb 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 35.44 2jov n LYS 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jov n LYS 17 N 0.00 1.67 -3.83 -1.58 5.02 -1.26 -5.07 118.16 113.12 2jov n LYS 17 Ca 0.00 -4.05 -0.07 0.00 -2.02 0.00 0.00 58.31 52.17 2jov n LYS 17 Cb 0.00 -1.86 0.01 0.00 -0.02 0.00 0.00 35.03 33.16 2jov n LYS 17 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2jov s TYR 18 N -1.76 0.02 0.00 2.13 2.02 -1.26 -4.97 117.35 113.53 2jov s TYR 18 Ca 0.36 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 2jov s TYR 18 Cb 0.13 0.78 0.00 0.00 -0.40 0.00 0.00 41.96 42.47 2jov s TYR 18 CO -0.07 -1.38 0.00 -1.71 -1.57 0.00 0.00 175.55 170.82 2jov n ASN 19 N -1.10 0.00 -4.00 2.29 5.15 -1.26 -4.93 115.26 111.41 2jov n ASN 19 Ca -0.07 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.70 2jov n ASN 19 Cb 0.60 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.69 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2jov s VAL 20 N -2.00 0.89 -0.00 3.44 -7.23 -1.26 -0.16 120.40 114.08 2jov s VAL 20 Ca 0.00 -0.39 0.05 0.00 -1.81 0.00 0.00 61.98 59.83 2jov s VAL 20 Cb 0.00 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 36.12 2jov s VAL 20 CO 0.00 0.28 -0.16 0.54 -0.31 0.00 0.00 175.10 175.45 2jov s VAL 21 N 0.40 1.29 0.26 1.32 0.11 -0.81 -4.96 120.40 118.01 2jov s VAL 21 Ca -0.07 -0.75 -0.29 0.00 -2.93 0.00 0.00 61.98 57.93 2jov s VAL 21 Cb -0.12 -1.08 -0.09 0.00 -1.53 0.00 0.00 36.38 33.56 2jov s VAL 21 CO 0.01 0.32 1.25 -2.16 -3.33 0.00 0.00 175.10 171.19 2jov s PRO 22 N -0.49 4.45 0.03 1.54 0.04 -1.26 -0.75 135.00 138.56 2jov s PRO 22 Ca 0.06 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.16 2jov s PRO 22 Cb -0.07 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 2jov s PRO 22 CO -0.00 -0.11 -0.08 0.54 0.04 0.00 0.00 177.00 177.39 2jov s VAL 23 N -0.62 0.58 0.34 -0.36 0.11 0.63 -3.60 120.40 117.47 2jov s VAL 23 Ca 0.51 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 2jov s VAL 23 Cb -0.36 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 2jov s VAL 23 CO 0.44 -0.20 0.41 -1.59 -3.33 0.00 0.00 175.10 170.82 2jov s LYS 24 N -1.13 1.87 -0.16 1.54 0.00 -0.06 -0.76 119.74 121.04 2jov s LYS 24 Ca -0.05 -1.86 -0.04 0.00 0.00 0.00 0.00 55.97 54.02 2jov s LYS 24 Cb -0.08 0.40 -0.03 0.00 0.00 0.00 0.00 37.83 38.13 2jov s LYS 24 CO 0.00 -0.75 -0.03 -1.54 0.00 0.00 0.00 175.35 173.03 2jov s SER 25 N -3.29 4.82 0.28 0.03 1.04 -0.24 -1.26 113.70 115.09 2jov s SER 25 Ca 0.34 -0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.64 2jov s SER 25 Cb 0.01 -1.79 0.50 0.00 0.10 0.00 0.00 66.02 64.83 2jov s SER 25 CO 0.23 0.16 1.86 -1.13 0.98 0.00 0.00 173.24 175.35 2jov h ASN 26 N 6.75 0.97 -4.55 7.02 -1.24 -1.86 -3.43 115.58 119.24 2jov h ASN 26 Ca -0.32 0.03 -0.70 0.00 0.71 0.00 0.00 56.30 56.02 2jov h ASN 26 Cb 1.19 -0.17 -0.29 0.00 0.73 0.00 0.00 38.32 39.77 2jov h ASN 26 CO 0.63 0.57 -0.88 -0.75 -1.29 0.00 0.00 177.43 175.71 2jov s LYS 27 N -5.98 2.12 0.13 6.67 2.20 -1.26 -5.06 119.74 118.56 2jov s LYS 27 Ca -0.12 -0.92 -0.32 0.00 -0.36 0.00 0.00 55.97 54.25 2jov s LYS 27 Cb 0.21 -2.06 -0.11 0.00 -1.51 0.00 0.00 37.83 34.35 2jov s LYS 27 CO 0.81 0.56 1.79 -0.35 -0.36 0.00 0.00 175.35 177.81 2jov n PRO 28 N 2.39 2.68 -4.40 4.03 -0.04 -1.26 -4.70 135.00 133.70 2jov n PRO 28 Ca -0.16 0.97 -0.23 0.00 -0.04 0.00 0.00 63.50 64.04 2jov n PRO 28 Cb 0.51 -2.84 -0.11 0.00 -0.04 0.00 0.00 33.50 31.02 2jov n PRO 28 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jov s VAL 29 N 2.36 2.13 0.08 0.52 0.11 -0.03 -4.81 120.40 120.76 2jov s VAL 29 Ca 0.81 -2.12 -0.31 0.00 -2.93 0.00 0.00 61.98 57.43 2jov s VAL 29 Cb -0.52 -2.07 -0.08 0.00 -1.53 0.00 0.00 36.38 32.18 2jov s VAL 29 CO 0.37 -0.32 1.51 -1.61 -3.33 0.00 0.00 175.10 171.72 2jov s GLU 30 N -3.08 4.25 0.00 1.54 2.02 -1.26 -0.96 118.70 121.21 2jov s GLU 30 Ca 0.22 2.19 0.21 0.00 0.02 0.00 0.00 54.97 57.61 2jov s GLU 30 Cb -0.05 -3.42 1.04 0.00 0.10 0.00 0.00 34.13 31.80 2jov s GLU 30 CO 0.10 -0.60 1.69 0.44 0.02 0.00 0.00 175.26 176.91 2jov n ILE 31 N 4.37 0.39 0.13 -1.63 -5.35 -1.25 -2.62 119.36 113.40 2jov n ILE 31 Ca 0.14 0.10 0.06 0.00 -0.27 0.00 0.00 62.75 62.77 2jov n ILE 31 Cb 0.41 -0.74 0.52 0.00 -1.74 0.00 0.00 39.64 38.09 2jov n ILE 31 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2jov h SER 32 N 0.00 0.23 -0.43 7.28 0.87 -1.90 -1.82 113.55 117.77 2jov h SER 32 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2jov h SER 32 Cb 0.24 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2jov h SER 32 CO 0.00 0.19 0.00 0.29 -0.53 0.00 0.00 176.83 176.78 2jov n LYS 33 N -4.48 3.23 -0.18 2.24 5.02 -1.08 -4.58 118.16 118.34 2jov n LYS 33 Ca -0.00 -2.61 0.07 0.00 -2.02 0.00 0.00 58.31 53.75 2jov n LYS 33 Cb 0.10 -1.68 0.36 0.00 -0.02 0.00 0.00 35.03 33.79 2jov n LYS 33 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 2jov h TRP 34 N 2.71 0.75 -0.66 2.13 7.01 -1.41 -1.48 115.95 125.01 2jov h TRP 34 Ca 0.00 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.94 2jov h TRP 34 Cb 1.22 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 28.01 2jov h TRP 34 CO 0.51 0.40 0.10 0.82 -2.79 0.00 0.00 178.44 177.48 2jov h ILE 35 N 0.75 1.26 -0.20 2.65 2.04 -1.81 -1.98 117.51 120.23 2jov h ILE 35 Ca 0.31 -1.04 -0.16 0.00 1.00 0.00 0.00 64.86 64.97 2jov h ILE 35 Cb 0.27 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2jov h ILE 35 CO -0.10 0.39 -0.49 -0.78 0.00 0.00 0.00 178.15 177.17 2jov h ASP 36 N 1.02 0.77 -0.44 1.72 3.58 -1.63 -2.32 116.42 119.12 2jov h ASP 36 Ca 0.20 -0.57 0.03 0.00 0.42 0.00 0.00 57.03 57.11 2jov h ASP 36 Cb 0.45 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 2jov h ASP 36 CO 0.01 1.20 0.23 -0.26 -2.88 0.00 0.00 179.24 177.55 2jov h PHE 37 N 0.37 0.43 0.00 0.28 -1.00 -1.29 -2.02 116.94 113.72 2jov h PHE 37 Ca -0.01 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 2jov h PHE 37 Cb 1.10 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.52 2jov h PHE 37 CO 0.09 0.23 -0.39 0.66 -1.61 0.00 0.00 178.31 177.29 2jov h SER 38 N 0.47 0.00 0.97 2.17 4.64 -1.32 -1.73 113.55 118.75 2jov h SER 38 Ca 0.19 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.44 2jov h SER 38 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2jov h SER 38 CO -0.12 0.39 -0.30 0.78 -0.87 0.00 0.00 176.83 176.71 2jov h ASN 39 N 0.00 0.00 -0.15 4.97 2.35 -0.93 -2.59 115.58 119.23 2jov h ASN 39 Ca -0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 2jov h ASN 39 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2jov h ASN 39 CO 0.05 0.30 -0.34 0.58 -1.65 0.00 0.00 177.43 176.37 2jov h VAL 40 N 0.00 1.36 -0.73 2.81 2.07 -0.62 -3.14 116.25 117.99 2jov h VAL 40 Ca -0.00 -1.60 0.02 0.00 0.82 0.00 0.00 66.70 65.94 2jov h VAL 40 Cb 0.86 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.58 2jov h VAL 40 CO 0.04 0.48 0.47 -0.07 0.02 0.00 0.00 177.57 178.51 2jov h LEU 41 N 0.13 0.79 0.00 2.57 3.38 -1.26 -0.38 115.31 120.55 2jov h LEU 41 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jov h LEU 41 Cb 0.94 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2jov h LEU 41 CO 0.07 0.56 0.00 -1.54 0.09 0.00 0.00 178.44 177.62 2jov n SER 42 N -4.62 0.00 -0.00 -0.43 3.41 -0.99 -2.47 113.62 108.52 2jov n SER 42 Ca 0.08 -1.15 0.05 0.00 -0.26 0.00 0.00 58.87 57.58 2jov n SER 42 Cb 0.06 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 2jov n SER 42 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jov n ARG 43 N -0.86 1.82 0.00 4.33 0.63 -0.24 -4.80 116.66 117.54 2jov n ARG 43 Ca 0.15 -0.05 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2jov n ARG 43 Cb 0.07 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 31.88 2jov n ARG 43 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jov n LEU 44 N -1.57 0.35 -2.90 6.15 4.77 -0.67 -5.02 117.00 118.10 2jov n LEU 44 Ca -0.00 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.44 2jov n LEU 44 Cb 0.20 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.89 2jov n LEU 44 CO 0.19 -0.42 0.03 -1.22 -1.33 0.00 0.00 177.39 174.64 2jov n TYR 45 N -1.75 -3.43 -4.72 -1.77 4.02 -1.25 -5.05 117.16 103.20 2jov n TYR 45 Ca 0.00 1.39 -0.25 0.00 -0.01 0.00 0.00 57.90 59.02 2jov n TYR 45 Cb 0.00 -3.92 -0.14 0.00 -0.02 0.00 0.00 39.34 35.25 2jov n TYR 45 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jov s VAL 46 N -2.53 1.58 -0.36 -0.72 0.11 -0.90 -4.60 120.40 112.97 2jov s VAL 46 Ca 0.26 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.25 2jov s VAL 46 Cb -0.07 -1.36 0.14 0.00 -1.53 0.00 0.00 36.38 33.57 2jov s VAL 46 CO 0.78 0.26 0.23 -0.83 -3.33 0.00 0.00 175.10 172.21 2jov s GLY 47 N -0.94 0.94 -0.12 6.54 0.00 -0.33 -1.86 107.32 111.56 2jov s GLY 47 Ca 0.07 -1.97 -0.00 0.00 0.00 0.00 0.00 44.72 42.82 2jov s GLY 47 CO 0.01 2.06 -0.09 0.14 0.00 0.00 0.00 173.10 175.22 2jov s VAL 48 N 0.92 1.10 -0.23 1.40 1.01 -1.26 -3.66 120.40 119.69 2jov s VAL 48 Ca 0.19 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 2jov s VAL 48 Cb -0.20 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 2jov s VAL 48 CO -0.01 0.38 2.19 -0.81 0.00 0.00 0.00 175.10 176.85 2jov n PRO 49 N 4.85 1.83 -4.29 2.72 -0.04 -1.26 -4.91 135.00 133.89 2jov n PRO 49 Ca -0.14 0.52 -0.16 0.00 -0.04 0.00 0.00 63.50 63.68 2jov n PRO 49 Cb 0.50 -3.03 -0.10 0.00 -0.04 0.00 0.00 33.50 30.84 2jov n PRO 49 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jov s THR 50 N 7.69 0.33 0.57 0.52 -4.23 -1.12 -4.93 115.64 114.47 2jov s THR 50 Ca 1.02 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.62 2jov s THR 50 Cb -0.47 -2.56 0.08 0.00 1.34 0.00 0.00 72.50 70.89 2jov s THR 50 CO 0.39 0.00 0.76 -0.54 -0.54 0.00 0.00 174.62 174.70 2jov s LYS 51 N -3.98 2.32 0.10 3.99 1.02 -1.26 -0.30 119.74 121.62 2jov s LYS 51 Ca 0.37 -1.65 -0.31 0.00 0.02 0.00 0.00 55.97 54.40 2jov s LYS 51 Cb 0.07 -2.62 -0.08 0.00 -0.52 0.00 0.00 37.83 34.68 2jov s LYS 51 CO 0.15 -0.83 1.41 -1.54 -0.92 0.00 0.00 175.35 173.62 2jov s SER 52 N -4.64 6.81 0.00 2.83 1.04 -1.26 -2.98 113.70 115.50 2jov s SER 52 Ca 0.60 2.32 0.00 0.00 0.48 0.00 0.00 55.95 59.35 2jov s SER 52 Cb -0.06 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2jov s SER 52 CO 0.38 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2jov n GLY 53 N 3.55 1.45 3.73 7.32 0.00 0.98 -4.96 105.19 117.26 2jov n GLY 53 Ca 0.12 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.27 6.92 -0.43 1.61 2.20 -0.95 -4.87 114.94 117.15 2jov s ASN 54 Ca 0.00 1.10 -0.23 0.00 -0.94 0.00 0.00 52.86 52.80 2jov s ASN 54 Cb 0.00 -2.37 0.02 0.00 -2.00 0.00 0.00 41.25 36.90 2jov s ASN 54 CO 0.00 -0.03 0.76 -0.69 -2.94 0.00 0.00 177.10 174.19 2jov s VAL 55 N 0.49 4.70 -0.05 3.54 1.01 -1.26 -0.86 120.40 127.97 2jov s VAL 55 Ca 0.33 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 2jov s VAL 55 Cb -0.17 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 2jov s VAL 55 CO 0.16 -0.65 0.07 0.58 0.00 0.00 0.00 175.10 175.26 2jov h VAL 56 N 5.93 0.00 -3.76 2.92 2.07 -0.41 -3.44 116.25 119.56 2jov h VAL 56 Ca -0.25 -0.50 -0.67 0.00 0.82 0.00 0.00 66.70 66.11 2jov h VAL 56 Cb 1.09 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.67 2jov h VAL 56 CO 0.94 0.00 -0.50 0.00 0.02 0.00 0.00 177.57 178.03 2jov s LYS 58 N 1.72 3.33 -0.89 0.00 -0.14 -1.26 -1.31 119.74 121.19 2jov s LYS 58 Ca 0.06 -0.18 -0.05 0.00 -1.36 0.00 0.00 55.97 54.44 2jov s LYS 58 Cb -0.17 -4.09 -0.01 0.00 -1.68 0.00 0.00 37.83 31.88 2jov s LYS 58 CO 0.10 -1.72 0.74 -1.71 -0.76 0.00 0.00 175.35 172.01 2jov n ASN 59 N 8.16 -6.64 -4.61 2.83 5.15 -1.14 -4.79 115.26 114.24 2jov n ASN 59 Ca 0.03 -0.52 -0.43 0.00 -0.60 0.00 0.00 54.58 53.07 2jov n ASN 59 Cb 0.48 -4.32 -0.03 0.00 -0.53 0.00 0.00 39.78 35.38 2jov n ASN 59 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2jov s ILE 60 N -3.16 3.11 -1.60 -1.44 2.07 -1.15 -2.08 121.20 116.96 2jov s ILE 60 Ca 0.17 0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 2jov s ILE 60 Cb -0.04 -3.13 0.00 0.00 0.13 0.00 0.00 42.46 39.41 2jov s ILE 60 CO 0.79 -0.08 0.00 0.23 -1.91 0.00 0.00 174.94 173.98 2jov n MET 61 N 8.55 -1.30 -2.63 3.50 2.81 -1.26 -3.81 117.12 122.97 2jov n MET 61 Ca 0.27 0.93 -0.05 0.00 -1.81 0.00 0.00 57.70 57.05 2jov n MET 61 Cb 0.45 -5.30 0.01 0.00 -0.71 0.00 0.00 33.22 27.67 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 -1.07 -7.17 0.00 7.83 4.13 -0.88 -5.01 115.26 113.08 2jov n ASN 62 Ca -0.19 0.68 0.00 0.00 1.68 0.00 0.00 54.58 56.75 2jov n ASN 62 Cb 0.62 -4.79 0.00 0.00 -1.54 0.00 0.00 39.78 34.06 2jov n ASN 62 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2jov n THR 63 N -0.08 0.00 -0.59 3.41 -2.24 -1.25 -5.01 114.28 108.53 2jov n THR 63 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2jov n THR 63 Cb 0.29 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2jov n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jov n GLY 64 N 0.90 0.73 3.30 3.38 0.00 -1.26 -5.05 105.19 107.19 2jov n GLY 64 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.30 2.61 -0.20 1.61 1.01 -1.26 -4.87 120.40 117.00 2jov s VAL 65 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 2jov s VAL 65 Cb 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2jov s VAL 65 CO 0.00 0.54 0.34 1.51 0.00 0.00 0.00 175.10 177.49 2jov s ASP 66 N 0.40 6.39 -0.45 3.32 -4.77 -1.26 -2.88 116.67 117.42 2jov s ASP 66 Ca -0.13 0.45 -0.27 0.00 -3.30 0.00 0.00 52.55 49.30 2jov s ASP 66 Cb -0.17 -2.20 0.03 0.00 -1.09 0.00 0.00 42.92 39.49 2jov s ASP 66 CO 0.06 -0.02 1.00 -0.63 0.70 0.00 0.00 175.17 176.28 2jov s ILE 67 N 1.12 4.40 -0.04 2.11 -1.09 -0.43 -2.90 121.20 124.37 2jov s ILE 67 Ca 0.17 1.00 0.05 0.00 -2.23 0.00 0.00 60.65 59.64 2jov s ILE 67 Cb -0.14 -4.47 -0.02 0.00 -1.58 0.00 0.00 42.46 36.24 2jov s ILE 67 CO 0.07 -0.84 -0.21 0.27 -1.23 0.00 0.00 174.94 173.00 2jov s ILE 68 N 3.94 2.50 0.13 2.92 -4.36 -0.39 0.42 121.20 126.36 2jov s ILE 68 Ca 0.41 -0.93 -0.12 0.00 -0.26 0.00 0.00 60.65 59.76 2jov s ILE 68 Cb -0.09 -1.93 -0.06 0.00 1.25 0.00 0.00 42.46 41.62 2jov s ILE 68 CO 0.27 0.58 0.48 0.00 0.24 0.00 0.00 174.94 176.51 2jov n THR 70 N 0.73 0.00 -3.76 0.00 5.66 -1.24 -0.01 114.28 115.66 2jov n THR 70 Ca -0.06 -0.47 -0.31 0.00 -3.05 0.00 0.00 64.05 60.16 2jov n THR 70 Cb 0.52 1.09 -0.04 0.00 -1.55 0.00 0.00 70.33 70.35 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 -0.78 3.56 -0.14 1.09 2.20 -1.26 -4.45 119.74 119.95 2jov s LYS 71 Ca 0.06 -0.21 -0.13 0.00 -0.36 0.00 0.00 55.97 55.34 2jov s LYS 71 Cb 0.05 -2.92 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 2jov s LYS 71 CO 0.12 0.52 0.27 -0.80 -0.36 0.00 0.00 175.35 175.09 2jov s ASN 72 N -2.44 6.45 -0.56 1.43 0.02 -1.26 -4.27 114.94 114.30 2jov s ASN 72 Ca 0.39 0.53 -0.04 0.00 -1.02 0.00 0.00 52.86 52.72 2jov s ASN 72 Cb -0.12 -2.17 0.15 0.00 0.02 0.00 0.00 41.25 39.13 2jov s ASN 72 CO 0.26 0.18 0.38 -0.76 0.02 0.00 0.00 177.10 177.17 2jov s LEU 73 N 0.07 5.33 -0.01 0.60 1.02 0.59 -4.97 118.68 121.30 2jov s LEU 73 Ca 0.16 -2.54 -0.16 0.00 0.02 0.00 0.00 54.13 51.61 2jov s LEU 73 Cb -0.13 -1.87 -0.06 0.00 0.02 0.00 0.00 46.19 44.15 2jov s LEU 73 CO 0.04 -0.45 0.45 -2.16 0.02 0.00 0.00 176.35 174.25 2jov s PRO 74 N 0.40 4.06 -0.16 1.29 0.04 -1.26 -2.80 135.00 136.57 2jov s PRO 74 Ca 0.14 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.62 2jov s PRO 74 Cb -0.21 -3.27 0.07 0.00 0.04 0.00 0.00 34.50 31.13 2jov s PRO 74 CO -0.04 0.57 0.15 0.21 0.04 0.00 0.00 177.00 177.93 2jov s LYS 75 N -0.73 0.10 -0.14 4.56 2.20 -1.26 -4.37 119.74 120.10 2jov s LYS 75 Ca 0.25 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2jov s LYS 75 Cb -0.17 -1.28 0.02 0.00 -1.51 0.00 0.00 37.83 34.90 2jov s LYS 75 CO 0.14 -0.59 -0.14 -0.51 -0.36 0.00 0.00 175.35 173.89 2jov s ASP 76 N 2.24 2.60 -0.17 1.43 1.11 -1.26 -5.10 116.67 117.51 2jov s ASP 76 Ca 0.04 -0.46 -0.04 0.00 0.18 0.00 0.00 52.55 52.27 2jov s ASP 76 Cb -0.15 -1.13 0.09 0.00 1.07 0.00 0.00 42.92 42.79 2jov s ASP 76 CO -0.09 -0.05 0.27 -0.94 1.18 0.00 0.00 175.17 175.53 2jov s SER 77 N 1.43 0.70 -0.57 0.27 1.04 -1.26 -5.09 113.70 110.21 2jov s SER 77 Ca 0.03 0.25 -0.28 0.00 0.48 0.00 0.00 55.95 56.43 2jov s SER 77 Cb -0.13 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.66 2jov s SER 77 CO -0.09 -0.28 1.36 -0.76 0.98 0.00 0.00 173.24 174.45 2jov s LEU 78 N 2.41 3.40 -1.22 2.42 1.02 -1.26 -4.93 118.68 120.51 2jov s LEU 78 Ca 0.05 0.22 -0.16 0.00 0.02 0.00 0.00 54.13 54.26 2jov s LEU 78 Cb -0.14 -3.06 0.12 0.00 0.02 0.00 0.00 46.19 43.14 2jov s LEU 78 CO -0.11 -1.67 1.54 -0.70 0.02 0.00 0.00 176.35 175.44 2jov s GLU 79 N 5.40 4.01 -1.75 1.70 2.12 -1.26 -4.51 118.70 124.41 2jov s GLU 79 Ca 0.50 -2.25 0.00 0.00 0.36 0.00 0.00 54.97 53.58 2jov s GLU 79 Cb -0.10 -5.26 0.00 0.00 0.26 0.00 0.00 34.13 29.03 2jov s GLU 79 CO 0.25 -1.98 0.00 0.72 -0.54 0.00 0.00 175.26 173.70 2jov n HIS 80 N 6.93 -0.76 0.07 5.30 8.25 -1.26 -4.83 115.22 128.92 2jov n HIS 80 Ca 0.41 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.78 2jov n HIS 80 Cb 0.45 -3.55 0.09 0.00 1.12 0.00 0.00 29.99 28.09 2jov n HIS 80 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jov n HIS 81 N -3.33 1.25 -3.15 4.41 -0.00 -1.26 -4.51 115.22 108.63 2jov n HIS 81 Ca -0.21 -0.97 0.03 0.00 0.46 0.00 0.00 57.72 57.02 2jov n HIS 81 Cb 0.65 -0.51 -0.00 0.00 -0.12 0.00 0.00 29.99 30.01 2jov n HIS 81 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jov s HIS 82 N -1.44 -1.67 0.13 1.57 5.04 -1.26 -4.99 115.29 112.66 2jov s HIS 82 Ca 0.24 0.75 0.00 0.00 -1.54 0.00 0.00 55.06 54.51 2jov s HIS 82 Cb 0.20 0.29 0.00 0.00 0.04 0.00 0.00 32.58 33.11 2jov s HIS 82 CO 0.05 -1.02 0.00 1.58 -2.34 0.00 0.00 174.74 173.01 2jov n HIS 83 N 5.04 -2.53 -1.63 3.88 -0.00 -1.26 -4.92 115.22 113.80 2jov n HIS 83 Ca 0.07 0.44 -0.32 0.00 -0.00 0.00 0.00 57.72 57.91 2jov n HIS 83 Cb 0.55 1.35 -0.04 0.00 -0.00 0.00 0.00 29.99 31.85 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 -2.81 1.95 -0.65 1.57 -0.00 -1.26 -5.28 115.22 108.74 2jov n HIS 84 Ca 0.00 -2.42 0.00 0.00 -0.00 0.00 0.00 57.72 55.30 2jov n HIS 84 Cb 0.00 -1.74 0.00 0.00 -0.00 0.00 0.00 29.99 28.25 2jov n HIS 84 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92