#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 2.46 0.64 3.17 4.02 -1.26 -5.01 115.29 119.32 2jov s HIS 2 Ca 0.00 1.31 -0.14 0.00 1.02 0.00 0.00 55.06 57.26 2jov s HIS 2 Cb 0.00 -3.12 -0.01 0.00 -1.02 0.00 0.00 32.58 28.42 2jov s HIS 2 CO 0.00 -2.15 1.06 0.15 1.02 0.00 0.00 174.74 174.82 2jov s LYS 3 N -4.96 3.11 0.23 1.40 1.02 -1.26 -5.02 119.74 114.25 2jov s LYS 3 Ca 0.62 1.11 0.10 0.00 0.02 0.00 0.00 55.97 57.82 2jov s LYS 3 Cb -0.17 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.08 2jov s LYS 3 CO 0.56 -0.97 -0.18 0.34 -0.92 0.00 0.00 175.35 174.19 2jov s ASP 4 N -3.20 3.05 -0.37 2.83 2.15 -0.40 -4.64 116.67 116.10 2jov s ASP 4 Ca 0.61 -0.98 -0.29 0.00 0.43 0.00 0.00 52.55 52.32 2jov s ASP 4 Cb -0.15 -0.21 0.01 0.00 -0.30 0.00 0.00 42.92 42.26 2jov s ASP 4 CO 0.45 -0.04 1.31 -0.63 -0.17 0.00 0.00 175.17 176.09 2jov s ILE 5 N -2.52 4.07 -0.42 4.11 -1.09 -1.26 -0.15 121.20 123.95 2jov s ILE 5 Ca 0.24 1.15 -0.27 0.00 -2.23 0.00 0.00 60.65 59.54 2jov s ILE 5 Cb -0.04 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 2jov s ILE 5 CO 0.10 -0.67 2.14 0.12 -1.23 0.00 0.00 174.94 175.40 2jov s PHE 6 N 4.77 1.36 -0.18 3.97 5.36 -1.26 -4.81 117.98 127.19 2jov s PHE 6 Ca 0.56 0.99 -0.01 0.00 -0.96 0.00 0.00 56.93 57.52 2jov s PHE 6 Cb -0.14 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 2jov s PHE 6 CO 0.28 -2.92 -0.13 0.99 -1.46 0.00 0.00 175.22 171.98 2jov s THR 7 N 9.66 2.75 0.00 0.12 2.01 -1.26 -1.60 115.64 127.31 2jov s THR 7 Ca 0.89 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.16 2jov s THR 7 Cb -0.21 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.11 2jov s THR 7 CO 0.28 0.49 0.00 -1.20 -0.69 0.00 0.00 174.62 173.51 2jov n SER 8 N 4.39 0.00 -4.17 3.53 7.64 -0.24 -5.00 113.62 119.78 2jov n SER 8 Ca -0.19 -0.98 -0.29 0.00 1.01 0.00 0.00 58.87 58.42 2jov n SER 8 Cb 0.51 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.54 2jov n SER 8 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jov s VAL 9 N -2.41 1.72 0.19 0.44 1.01 -1.26 0.00 120.40 120.09 2jov s VAL 9 Ca 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.21 2jov s VAL 9 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2jov s VAL 9 CO 0.00 0.49 0.02 0.54 0.00 0.00 0.00 175.10 176.15 2jov s VAL 10 N 0.26 3.79 -0.12 2.92 0.11 0.11 -4.90 120.40 122.58 2jov s VAL 10 Ca -0.12 -1.46 -0.18 0.00 -2.93 0.00 0.00 61.98 57.28 2jov s VAL 10 Cb -0.15 -2.93 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 2jov s VAL 10 CO 0.05 -0.16 0.49 -0.13 -3.33 0.00 0.00 175.10 172.02 2jov s ARG 11 N -3.11 4.33 0.05 1.54 0.52 -1.26 -0.97 118.95 120.05 2jov s ARG 11 Ca 0.29 0.46 -0.05 0.00 -0.52 0.00 0.00 55.73 55.91 2jov s ARG 11 Cb -0.09 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 31.89 2jov s ARG 11 CO 0.20 0.13 0.28 0.08 0.02 0.00 0.00 175.30 176.00 2jov s VAL 12 N 0.72 5.29 0.09 3.52 1.01 0.11 -2.58 120.40 128.57 2jov s VAL 12 Ca 0.26 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.35 2jov s VAL 12 Cb -0.15 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2jov s VAL 12 CO 0.10 0.24 -0.27 -0.60 0.00 0.00 0.00 175.10 174.58 2jov s ARG 13 N -2.12 1.60 0.00 2.72 3.52 0.43 -4.84 118.95 120.25 2jov s ARG 13 Ca 0.32 -1.23 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 2jov s ARG 13 Cb -0.13 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 2jov s ARG 13 CO 0.21 0.48 0.00 0.41 -0.81 0.00 0.00 175.30 175.59 2jov n GLY 14 N 1.33 -1.69 3.55 8.12 0.00 -1.26 -3.94 105.19 111.29 2jov n GLY 14 Ca -0.17 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.39 2jov n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jov s SER 15 N -4.00 5.75 0.26 1.61 1.04 -1.26 -4.91 113.70 112.19 2jov s SER 15 Ca 0.00 -0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.14 2jov s SER 15 Cb 0.00 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.59 2jov s SER 15 CO 0.00 -2.09 0.64 -1.59 0.98 0.00 0.00 173.24 171.18 2jov s LYS 16 N 6.34 1.67 -0.15 4.02 0.00 -1.26 -4.75 119.74 125.60 2jov s LYS 16 Ca 0.50 -1.00 -0.16 0.00 0.00 0.00 0.00 55.97 55.31 2jov s LYS 16 Cb -0.10 0.57 -0.14 0.00 0.00 0.00 0.00 37.83 38.16 2jov s LYS 16 CO 0.17 -0.74 0.25 0.87 0.00 0.00 0.00 175.35 175.90 2jov h LYS 17 N 2.07 0.00 -5.93 1.78 1.79 -1.91 -3.46 116.57 110.91 2jov h LYS 17 Ca -0.22 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.67 2jov h LYS 17 Cb 1.25 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.84 2jov h LYS 17 CO 0.28 0.57 0.16 0.71 -1.08 0.00 0.00 179.45 180.09 2jov s TYR 18 N -2.11 3.50 -0.79 -1.35 2.02 -1.26 -4.93 117.35 112.43 2jov s TYR 18 Ca -0.17 1.18 0.27 0.00 -0.37 0.00 0.00 57.07 57.98 2jov s TYR 18 Cb 0.01 -2.85 0.91 0.00 -0.40 0.00 0.00 41.96 39.63 2jov s TYR 18 CO 0.41 -0.04 1.81 0.09 -1.57 0.00 0.00 175.55 176.24 2jov n ASN 19 N 4.38 0.63 -3.96 2.29 4.13 -1.26 -4.72 115.26 116.75 2jov n ASN 19 Ca -0.00 0.56 -0.16 0.00 1.68 0.00 0.00 54.58 56.66 2jov n ASN 19 Cb 0.50 -0.73 -0.15 0.00 -1.54 0.00 0.00 39.78 37.87 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 -3.08 0.46 -0.03 2.41 -7.23 -1.26 0.05 120.40 111.72 2jov s VAL 20 Ca 0.11 -0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.06 2jov s VAL 20 Cb 0.14 -0.40 0.01 0.00 0.56 0.00 0.00 36.38 36.69 2jov s VAL 20 CO 0.58 0.13 -0.06 0.68 -0.31 0.00 0.00 175.10 176.12 2jov s VAL 21 N -0.08 0.54 0.15 1.32 -7.23 -0.14 -4.93 120.40 110.04 2jov s VAL 21 Ca 0.02 -0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.67 2jov s VAL 21 Cb -0.03 -0.52 -0.08 0.00 0.56 0.00 0.00 36.38 36.31 2jov s VAL 21 CO -0.00 0.19 1.32 -2.16 -0.31 0.00 0.00 175.10 174.13 2jov s PRO 22 N 0.39 4.38 0.34 4.82 0.04 -1.26 -0.71 135.00 142.99 2jov s PRO 22 Ca -0.05 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.09 2jov s PRO 22 Cb -0.09 -3.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 2jov s PRO 22 CO 0.00 -0.30 -0.07 0.14 0.04 0.00 0.00 177.00 176.81 2jov s VAL 23 N 0.54 2.03 0.35 -0.36 -7.23 0.10 -2.34 120.40 113.49 2jov s VAL 23 Ca 0.59 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 2jov s VAL 23 Cb -0.35 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 33.94 2jov s VAL 23 CO 0.34 -0.19 0.49 -1.59 -0.31 0.00 0.00 175.10 173.84 2jov s LYS 24 N -3.66 1.95 -0.15 4.82 -2.85 0.11 -1.08 119.74 118.88 2jov s LYS 24 Ca 0.32 -1.78 -0.03 0.00 -1.00 0.00 0.00 55.97 53.48 2jov s LYS 24 Cb 0.04 0.45 -0.03 0.00 -2.06 0.00 0.00 37.83 36.23 2jov s LYS 24 CO 0.16 -0.81 -0.04 -1.54 0.10 0.00 0.00 175.35 173.22 2jov s SER 25 N -3.25 4.82 0.27 0.03 1.04 -0.63 -1.21 113.70 114.77 2jov s SER 25 Ca 0.30 -0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.63 2jov s SER 25 Cb -0.01 -1.73 0.54 0.00 0.10 0.00 0.00 66.02 64.92 2jov s SER 25 CO 0.21 0.19 1.80 -1.13 0.98 0.00 0.00 173.24 175.29 2jov h ASN 26 N 6.52 0.71 -4.08 7.02 -1.24 -1.27 -3.42 115.58 119.82 2jov h ASN 26 Ca -0.33 0.07 -0.52 0.00 0.71 0.00 0.00 56.30 56.23 2jov h ASN 26 Cb 1.19 -0.06 -0.21 0.00 0.73 0.00 0.00 38.32 39.97 2jov h ASN 26 CO 0.62 0.34 -0.80 -0.54 -1.29 0.00 0.00 177.43 175.76 2jov s LYS 27 N -5.96 1.10 0.12 6.67 1.02 -1.26 -4.97 119.74 116.45 2jov s LYS 27 Ca -0.12 -1.19 -0.32 0.00 0.02 0.00 0.00 55.97 54.36 2jov s LYS 27 Cb 0.22 -1.25 -0.12 0.00 -0.52 0.00 0.00 37.83 36.16 2jov s LYS 27 CO 0.79 0.28 1.76 -0.35 -0.92 0.00 0.00 175.35 176.91 2jov n PRO 28 N 0.90 2.55 -4.45 -1.68 -0.04 -1.26 -4.74 135.00 126.28 2jov n PRO 28 Ca -0.18 0.92 -0.25 0.00 -0.04 0.00 0.00 63.50 63.95 2jov n PRO 28 Cb 0.55 -2.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.13 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 2.17 2.43 0.32 0.52 0.11 0.79 -4.64 120.40 122.11 2jov s VAL 29 Ca 0.81 -2.22 -0.28 0.00 -2.93 0.00 0.00 61.98 57.36 2jov s VAL 29 Cb -0.56 -2.22 -0.09 0.00 -1.53 0.00 0.00 36.38 31.97 2jov s VAL 29 CO 0.38 -0.26 1.10 -1.61 -3.33 0.00 0.00 175.10 171.39 2jov s GLU 30 N -3.10 4.46 0.00 1.54 8.01 -1.26 -1.27 118.70 127.08 2jov s GLU 30 Ca 0.26 1.76 0.15 0.00 0.01 0.00 0.00 54.97 57.14 2jov s GLU 30 Cb -0.06 -2.99 0.67 0.00 -4.31 0.00 0.00 34.13 27.44 2jov s GLU 30 CO 0.13 0.06 1.44 0.44 0.01 0.00 0.00 175.26 177.34 2jov n ILE 31 N 0.78 0.82 0.24 -1.63 -5.35 -1.26 -1.93 119.36 111.03 2jov n ILE 31 Ca 0.01 0.21 0.10 0.00 -0.27 0.00 0.00 62.75 62.80 2jov n ILE 31 Cb 0.46 -0.96 0.62 0.00 -1.74 0.00 0.00 39.64 38.02 2jov n ILE 31 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2jov h SER 32 N 0.00 0.00 -0.20 7.28 4.64 -2.02 -2.04 113.55 121.21 2jov h SER 32 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jov h SER 32 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2jov h SER 32 CO 0.00 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 176.43 2jov n LYS 33 N -3.72 2.37 0.07 4.77 5.02 -0.81 -4.52 118.16 121.33 2jov n LYS 33 Ca -0.02 -2.02 -0.11 0.00 -2.02 0.00 0.00 58.31 54.14 2jov n LYS 33 Cb 0.29 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 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 4.42 -0.47 0.00 2.13 2.91 -1.46 0.71 115.95 124.19 2jov h TRP 34 Ca 0.00 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.97 2jov h TRP 34 Cb 0.96 0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.80 2jov h TRP 34 CO 0.12 -0.26 -0.30 -0.84 -1.03 0.00 0.00 178.44 176.13 2jov h ILE 35 N -0.31 0.88 0.05 2.65 3.07 -1.79 -2.16 117.51 119.89 2jov h ILE 35 Ca 0.05 -1.17 -0.10 0.00 1.55 0.00 0.00 64.86 65.19 2jov h ILE 35 Cb 0.36 1.70 0.01 0.00 -0.27 0.00 0.00 36.82 38.62 2jov h ILE 35 CO -0.15 0.29 -0.41 -0.78 -1.05 0.00 0.00 178.15 176.06 2jov h ASP 36 N 0.00 0.28 -0.81 2.16 3.58 -1.67 -2.51 116.42 117.45 2jov h ASP 36 Ca -0.00 -0.89 -0.01 0.00 0.42 0.00 0.00 57.03 56.55 2jov h ASP 36 Cb 0.68 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.60 2jov h ASP 36 CO 0.04 1.14 0.47 -0.26 -2.88 0.00 0.00 179.24 177.75 2jov h PHE 37 N -0.55 1.08 -0.34 0.28 -1.00 -0.84 -2.42 116.94 113.15 2jov h PHE 37 Ca -0.06 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.61 2jov h PHE 37 Cb 1.24 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 40.44 2jov h PHE 37 CO 0.21 0.74 -0.18 0.66 -1.61 0.00 0.00 178.31 178.12 2jov h SER 38 N 1.11 0.63 -0.54 2.17 4.64 -1.46 -0.85 113.55 119.25 2jov h SER 38 Ca 0.29 -0.20 0.05 0.00 -0.47 0.00 0.00 61.79 61.46 2jov h SER 38 Cb -0.01 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 61.86 2jov h SER 38 CO -0.05 0.82 0.26 0.78 -0.87 0.00 0.00 176.83 177.78 2jov h ASN 39 N 0.57 0.36 -0.15 4.97 2.35 -0.99 0.98 115.58 123.67 2jov h ASN 39 Ca 0.09 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2jov h ASN 39 Cb 0.63 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 2jov h ASN 39 CO 0.04 0.24 0.05 0.58 -1.65 0.00 0.00 177.43 176.70 2jov h VAL 40 N 0.50 1.18 0.00 2.81 2.07 -0.99 -2.94 116.25 118.89 2jov h VAL 40 Ca 0.25 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2jov h VAL 40 Cb 0.18 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2jov h VAL 40 CO -0.19 0.17 -0.18 -0.07 0.02 0.00 0.00 177.57 177.32 2jov h LEU 41 N 0.06 0.00 0.00 2.57 3.38 -0.81 -0.64 115.31 119.87 2jov h LEU 41 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jov h LEU 41 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2jov h LEU 41 CO -0.00 0.18 0.00 -1.20 0.09 0.00 0.00 178.44 177.51 2jov n SER 42 N -4.14 0.00 0.00 -0.43 7.64 0.31 -2.25 113.62 114.75 2jov n SER 42 Ca -0.02 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2jov n SER 42 Cb 0.25 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2jov n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jov n ARG 43 N -1.44 1.31 -3.75 1.43 1.74 -0.39 -4.94 116.66 110.62 2jov n ARG 43 Ca 0.06 -1.01 -0.37 0.00 -0.77 0.00 0.00 57.85 55.76 2jov n ARG 43 Cb 0.22 -0.93 -0.11 0.00 -1.02 0.00 0.00 32.46 30.62 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 -0.54 5.31 -0.46 0.55 2.96 -0.40 -5.06 118.68 121.04 2jov s LEU 44 Ca 0.00 -2.04 -0.23 0.00 -0.22 0.00 0.00 54.13 51.64 2jov s LEU 44 Cb 0.00 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.87 2jov s LEU 44 CO 0.00 -0.56 0.77 -0.31 -1.32 0.00 0.00 176.35 174.94 2jov s TYR 45 N 1.14 2.99 -0.23 5.38 1.51 -1.26 -4.42 117.35 122.45 2jov s TYR 45 Ca 0.08 0.09 -0.23 0.00 -1.01 0.00 0.00 57.07 56.00 2jov s TYR 45 Cb -0.23 -3.65 -0.01 0.00 -0.11 0.00 0.00 41.96 37.96 2jov s TYR 45 CO -0.04 -1.00 0.77 0.54 -1.11 0.00 0.00 175.55 174.71 2jov s VAL 46 N 3.26 4.89 -0.31 0.71 0.11 -1.06 -4.69 120.40 123.31 2jov s VAL 46 Ca 0.28 1.45 0.07 0.00 -2.93 0.00 0.00 61.98 60.85 2jov s VAL 46 Cb -0.13 -4.06 0.46 0.00 -1.53 0.00 0.00 36.38 31.12 2jov s VAL 46 CO 0.22 -0.02 1.18 0.61 -3.33 0.00 0.00 175.10 173.75 2jov n GLY 47 N 3.81 6.17 2.80 6.54 0.00 -1.25 -0.43 105.19 122.82 2jov n GLY 47 Ca 0.03 -2.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.15 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 -4.67 2.02 -0.24 1.61 1.01 -1.26 -4.73 120.40 114.14 2jov s VAL 48 Ca 0.50 -3.21 -0.37 0.00 0.00 0.00 0.00 61.98 58.89 2jov s VAL 48 Cb 0.41 -2.38 -0.14 0.00 0.00 0.00 0.00 36.38 34.27 2jov s VAL 48 CO 0.01 -0.93 1.88 -2.65 0.00 0.00 0.00 175.10 173.41 2jov n PRO 49 N 2.96 1.46 -2.25 2.72 -0.02 -1.26 -4.92 135.00 133.70 2jov n PRO 49 Ca 0.12 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 62.10 2jov n PRO 49 Cb 0.35 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 2jov n PRO 49 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2jov n THR 50 N 5.28 0.00 -2.57 3.45 -2.24 -1.26 -4.89 114.28 112.04 2jov n THR 50 Ca 0.28 -0.26 -0.06 0.00 -2.27 0.00 0.00 64.05 61.74 2jov n THR 50 Cb 0.20 0.12 0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2jov n THR 50 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jov n LYS 51 N -0.08 0.60 -2.37 -0.78 4.76 -1.26 0.29 118.16 119.32 2jov n LYS 51 Ca 0.00 -0.73 -0.41 0.00 -2.87 0.00 0.00 58.31 54.31 2jov n LYS 51 Cb 0.07 -0.13 -0.04 0.00 -1.84 0.00 0.00 35.03 33.09 2jov n LYS 51 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2jov s SER 52 N -1.99 7.10 0.00 4.39 1.04 -1.26 -3.77 113.70 119.21 2jov s SER 52 Ca 0.16 2.28 0.00 0.00 0.48 0.00 0.00 55.95 58.88 2jov s SER 52 Cb -0.01 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2jov s SER 52 CO 0.11 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2jov n GLY 53 N 1.85 1.57 3.76 7.32 0.00 -0.08 -4.98 105.19 114.63 2jov n GLY 53 Ca 0.03 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.26 6.68 -0.53 1.61 2.20 -0.99 -4.91 114.94 116.75 2jov s ASN 54 Ca 0.00 0.81 -0.22 0.00 -0.94 0.00 0.00 52.86 52.51 2jov s ASN 54 Cb 0.00 -2.25 0.05 0.00 -2.00 0.00 0.00 41.25 37.04 2jov s ASN 54 CO 0.00 0.13 0.82 -0.69 -2.94 0.00 0.00 177.10 174.42 2jov s VAL 55 N 0.01 4.58 -0.04 3.54 1.01 -1.26 -0.39 120.40 127.84 2jov s VAL 55 Ca 0.23 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 2jov s VAL 55 Cb -0.15 -4.44 -0.22 0.00 0.00 0.00 0.00 36.38 31.57 2jov s VAL 55 CO 0.10 -0.98 1.09 0.58 0.00 0.00 0.00 175.10 175.89 2jov h VAL 56 N 5.96 1.52 -3.67 2.92 2.07 -0.72 -3.42 116.25 120.91 2jov h VAL 56 Ca -0.27 -1.75 -0.66 0.00 0.82 0.00 0.00 66.70 64.85 2jov h VAL 56 Cb 1.08 2.61 -0.40 0.00 -1.52 0.00 0.00 31.29 33.06 2jov h VAL 56 CO 1.04 0.47 -0.72 0.00 0.02 0.00 0.00 177.57 178.38 2jov s LYS 58 N 0.90 3.15 -0.51 0.00 1.02 -1.26 -1.09 119.74 121.95 2jov s LYS 58 Ca 0.11 0.28 -0.17 0.00 0.02 0.00 0.00 55.97 56.21 2jov s LYS 58 Cb -0.19 -4.19 0.02 0.00 -0.52 0.00 0.00 37.83 32.96 2jov s LYS 58 CO -0.08 -2.14 0.63 0.09 -0.92 0.00 0.00 175.35 172.93 2jov n ASN 59 N 10.07 -7.28 -0.19 2.83 4.13 -1.22 -4.88 115.26 118.72 2jov n ASN 59 Ca 0.11 0.21 -0.03 0.00 1.68 0.00 0.00 54.58 56.55 2jov n ASN 59 Cb 0.50 -4.45 0.03 0.00 -1.54 0.00 0.00 39.78 34.32 2jov n ASN 59 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2jov h ILE 60 N 1.62 0.30 -1.31 2.41 2.10 -1.62 -3.18 117.51 117.82 2jov h ILE 60 Ca -0.15 0.00 -0.40 0.00 1.08 0.00 0.00 64.86 65.40 2jov h ILE 60 Cb 1.10 0.30 -0.38 0.00 -1.09 0.00 0.00 36.82 36.75 2jov h ILE 60 CO 0.23 0.00 -1.12 0.23 -1.08 0.00 0.00 178.15 176.41 2jov n MET 61 N -5.43 1.07 -2.27 2.19 2.81 -1.26 -4.93 117.12 109.30 2jov n MET 61 Ca 0.05 -3.17 -0.21 0.00 -1.81 0.00 0.00 57.70 52.57 2jov n MET 61 Cb 0.34 -1.36 -0.02 0.00 -0.71 0.00 0.00 33.22 31.46 2jov n MET 61 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2jov n ASN 62 N 0.07 -5.85 0.18 7.83 2.85 -1.20 -4.86 115.26 114.28 2jov n ASN 62 Ca 0.15 0.07 0.11 0.00 -0.11 0.00 0.00 54.58 54.81 2jov n ASN 62 Cb 0.75 -4.91 0.10 0.00 1.24 0.00 0.00 39.78 36.96 2jov n ASN 62 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2jov h THR 63 N 0.00 0.03 0.00 -0.44 1.35 -1.92 -3.47 112.91 108.46 2jov h THR 63 Ca -0.48 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 2jov h THR 63 Cb 1.37 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 2jov h THR 63 CO 0.59 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 2jov n GLY 64 N 1.13 0.77 3.40 5.82 0.00 -1.26 -5.04 105.19 110.02 2jov n GLY 64 Ca 0.02 0.00 -0.33 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 -2.94 3.28 -0.11 1.61 1.01 -1.26 -4.81 120.40 117.18 2jov s VAL 65 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 2jov s VAL 65 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2jov s VAL 65 CO 0.00 0.51 0.32 -1.81 0.00 0.00 0.00 175.10 174.12 2jov s ASP 66 N 0.40 6.55 -0.46 3.32 1.01 -1.26 -3.04 116.67 123.18 2jov s ASP 66 Ca -0.09 0.64 -0.20 0.00 0.71 0.00 0.00 52.55 53.62 2jov s ASP 66 Cb -0.15 -2.19 0.04 0.00 1.01 0.00 0.00 42.92 41.62 2jov s ASP 66 CO 0.05 0.19 0.62 -0.63 0.21 0.00 0.00 175.17 175.61 2jov s ILE 67 N -0.13 4.87 -0.04 0.77 -1.09 -0.25 -0.71 121.20 124.62 2jov s ILE 67 Ca 0.19 -0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 2jov s ILE 67 Cb -0.14 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 2jov s ILE 67 CO 0.07 -0.67 -0.04 0.27 -1.23 0.00 0.00 174.94 173.34 2jov s ILE 68 N 2.69 3.89 0.05 2.92 -4.36 -0.35 0.07 121.20 126.11 2jov s ILE 68 Ca 0.19 -0.55 -0.14 0.00 -0.26 0.00 0.00 60.65 59.88 2jov s ILE 68 Cb -0.16 -2.66 -0.06 0.00 1.25 0.00 0.00 42.46 40.83 2jov s ILE 68 CO 0.16 0.49 0.45 0.00 0.24 0.00 0.00 174.94 176.28 2jov n THR 70 N 1.42 0.47 -3.69 0.00 5.66 -0.99 -0.90 114.28 116.25 2jov n THR 70 Ca -0.11 -0.74 -0.37 0.00 -3.05 0.00 0.00 64.05 59.79 2jov n THR 70 Cb 0.52 0.85 -0.06 0.00 -1.55 0.00 0.00 70.33 70.09 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 -0.82 3.67 -0.38 1.09 2.20 -1.26 -4.45 119.74 119.79 2jov s LYS 71 Ca 0.13 0.10 -0.18 0.00 -0.36 0.00 0.00 55.97 55.65 2jov s LYS 71 Cb 0.07 -3.16 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 2jov s LYS 71 CO 0.10 0.70 0.52 -0.80 -0.36 0.00 0.00 175.35 175.51 2jov s ASN 72 N -1.27 6.29 -0.13 1.43 0.02 -1.26 -4.18 114.94 115.84 2jov s ASN 72 Ca 0.22 -0.23 -0.22 0.00 -1.02 0.00 0.00 52.86 51.62 2jov s ASN 72 Cb -0.14 -2.27 -0.03 0.00 0.02 0.00 0.00 41.25 38.83 2jov s ASN 72 CO 0.11 -0.55 0.65 -0.76 0.02 0.00 0.00 177.10 176.57 2jov s LEU 73 N 2.41 4.24 -0.64 0.60 1.02 0.15 -4.98 118.68 121.47 2jov s LEU 73 Ca 0.18 1.01 -0.23 0.00 0.02 0.00 0.00 54.13 55.10 2jov s LEU 73 Cb -0.16 -2.97 0.06 0.00 0.02 0.00 0.00 46.19 43.14 2jov s LEU 73 CO 0.14 -0.18 0.98 -2.16 0.02 0.00 0.00 176.35 175.16 2jov s PRO 74 N 1.27 3.17 -0.14 1.29 0.04 -1.26 -4.38 135.00 134.98 2jov s PRO 74 Ca 0.33 -0.64 0.02 0.00 0.04 0.00 0.00 61.00 60.75 2jov s PRO 74 Cb -0.17 -4.18 -0.23 0.00 0.04 0.00 0.00 34.50 29.96 2jov s PRO 74 CO 0.14 -1.76 0.27 0.36 0.04 0.00 0.00 177.00 176.04 2jov n LYS 75 N 7.79 0.70 -2.45 4.56 2.85 -1.26 -3.98 118.16 126.37 2jov n LYS 75 Ca -0.02 0.22 -0.43 0.00 -1.05 0.00 0.00 58.31 57.03 2jov n LYS 75 Cb 0.46 -1.67 -0.02 0.00 -0.65 0.00 0.00 35.03 33.15 2jov n LYS 75 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2jov s ASP 76 N -6.54 6.98 -0.41 -5.58 2.15 -1.26 -4.79 116.67 107.21 2jov s ASP 76 Ca -0.20 1.69 0.03 0.00 0.43 0.00 0.00 52.55 54.50 2jov s ASP 76 Cb 0.07 -2.54 0.16 0.00 -0.30 0.00 0.00 42.92 40.31 2jov s ASP 76 CO 0.75 -0.71 0.31 -0.44 -0.17 0.00 0.00 175.17 174.91 2jov s SER 77 N 1.80 2.17 -1.30 -0.34 0.01 -1.26 -5.01 113.70 109.76 2jov s SER 77 Ca 0.54 -2.84 -0.12 0.00 1.31 0.00 0.00 55.95 54.84 2jov s SER 77 Cb -0.22 -0.53 0.13 0.00 0.21 0.00 0.00 66.02 65.62 2jov s SER 77 CO 0.16 -0.21 1.82 0.18 0.41 0.00 0.00 173.24 175.60 2jov n LEU 78 N 3.17 6.14 -4.77 2.44 4.77 -1.26 -4.98 117.00 122.51 2jov n LEU 78 Ca 0.23 -4.42 -0.39 0.00 -0.03 0.00 0.00 56.01 51.40 2jov n LEU 78 Cb 0.43 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 2jov n LEU 78 CO 0.12 1.02 0.31 -1.61 -1.33 0.00 0.00 177.39 175.90 2jov s GLU 79 N 1.66 4.32 -0.61 3.23 2.02 -1.26 -5.03 118.70 123.03 2jov s GLU 79 Ca 0.43 0.78 0.00 0.00 0.02 0.00 0.00 54.97 56.21 2jov s GLU 79 Cb 0.07 -3.32 0.15 0.00 0.10 0.00 0.00 34.13 31.13 2jov s GLU 79 CO -0.01 0.43 0.39 -1.01 0.02 0.00 0.00 175.26 175.09 2jov s HIS 80 N -0.43 3.35 -0.29 1.61 3.76 -1.26 -5.06 115.29 116.97 2jov s HIS 80 Ca 0.31 -2.97 -0.26 0.00 -0.15 0.00 0.00 55.06 51.99 2jov s HIS 80 Cb -0.19 -3.02 0.01 0.00 1.11 0.00 0.00 32.58 30.49 2jov s HIS 80 CO 0.18 -0.77 0.92 -1.01 -0.85 0.00 0.00 174.74 173.21 2jov s HIS 81 N -0.35 3.22 -0.44 1.40 3.76 -1.26 -4.97 115.29 116.66 2jov s HIS 81 Ca 0.18 1.08 -0.28 0.00 -0.15 0.00 0.00 55.06 55.90 2jov s HIS 81 Cb -0.21 -3.34 -0.02 0.00 1.11 0.00 0.00 32.58 30.12 2jov s HIS 81 CO -0.03 -0.59 1.77 -3.38 -0.85 0.00 0.00 174.74 171.65 2jov s HIS 82 N 3.19 1.84 -0.29 1.40 -3.43 -1.26 -4.89 115.29 111.85 2jov s HIS 82 Ca 0.39 0.69 -0.15 0.00 -0.80 0.00 0.00 55.06 55.18 2jov s HIS 82 Cb -0.14 -4.14 0.15 0.00 -1.43 0.00 0.00 32.58 27.02 2jov s HIS 82 CO 0.12 -2.58 0.96 -1.58 -2.00 0.00 0.00 174.74 169.66 2jov s HIS 83 N 7.46 -0.66 -0.57 0.38 5.04 -1.26 -5.11 115.29 120.57 2jov s HIS 83 Ca 0.73 1.22 -0.28 0.00 -1.54 0.00 0.00 55.06 55.19 2jov s HIS 83 Cb -0.18 0.39 0.03 0.00 0.04 0.00 0.00 32.58 32.87 2jov s HIS 83 CO 0.29 -0.33 1.17 -3.38 -2.34 0.00 0.00 174.74 170.16 2jov s HIS 84 N 1.91 2.63 0.00 3.88 -3.43 -1.26 -5.25 115.29 113.77 2jov s HIS 84 Ca -0.06 0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 2jov s HIS 84 Cb -0.05 -4.49 0.00 0.00 -1.43 0.00 0.00 32.58 26.61 2jov s HIS 84 CO -0.16 -1.55 0.00 1.58 -2.00 0.00 0.00 174.74 172.61