#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 2.30 0.24 1.12 5.65 -1.26 -5.00 115.29 118.34 2jov s HIS 2 Ca 0.00 0.67 0.08 0.00 0.25 0.00 0.00 55.06 56.06 2jov s HIS 2 Cb 0.00 -4.20 -0.04 0.00 -1.18 0.00 0.00 32.58 27.16 2jov s HIS 2 CO 0.00 -2.21 0.09 0.15 -0.65 0.00 0.00 174.74 172.11 2jov s LYS 3 N 4.95 2.61 -0.04 2.88 1.02 -1.26 -4.94 119.74 124.96 2jov s LYS 3 Ca 0.65 -1.19 0.06 0.00 0.02 0.00 0.00 55.97 55.51 2jov s LYS 3 Cb -0.17 -2.39 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 2jov s LYS 3 CO 0.31 0.40 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.41 2jov s ASP 4 N -3.59 2.74 -0.02 2.83 1.01 0.54 -4.75 116.67 115.44 2jov s ASP 4 Ca 0.31 -0.45 -0.30 0.00 0.71 0.00 0.00 52.55 52.83 2jov s ASP 4 Cb -0.08 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.18 2jov s ASP 4 CO 0.22 0.23 1.25 -0.63 0.21 0.00 0.00 175.17 176.45 2jov s ILE 5 N -0.22 4.08 -0.09 0.77 1.01 -1.26 -1.13 121.20 124.36 2jov s ILE 5 Ca -0.00 1.44 -0.29 0.00 0.00 0.00 0.00 60.65 61.79 2jov s ILE 5 Cb -0.12 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 2jov s ILE 5 CO 0.02 0.02 1.86 0.12 0.00 0.00 0.00 174.94 176.96 2jov s PHE 6 N 2.03 1.60 -0.08 3.97 5.36 -1.26 -4.85 117.98 124.75 2jov s PHE 6 Ca 0.58 0.10 -0.01 0.00 -0.96 0.00 0.00 56.93 56.64 2jov s PHE 6 Cb -0.27 -4.05 0.03 0.00 -0.34 0.00 0.00 43.02 38.38 2jov s PHE 6 CO 0.24 -4.32 -0.01 0.99 -1.46 0.00 0.00 175.22 170.67 2jov s THR 7 N 5.25 0.48 0.00 0.12 2.01 -1.26 -1.41 115.64 120.82 2jov s THR 7 Ca 0.83 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.89 2jov s THR 7 Cb -0.35 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.56 2jov s THR 7 CO 0.35 0.27 0.00 -1.20 -0.69 0.00 0.00 174.62 173.35 2jov n SER 8 N 5.06 0.00 -3.92 3.53 7.64 -0.16 -4.99 113.62 120.78 2jov n SER 8 Ca -0.09 -0.96 -0.22 0.00 1.01 0.00 0.00 58.87 58.61 2jov n SER 8 Cb 0.50 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.53 2jov n SER 8 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jov s VAL 9 N -2.48 0.73 0.16 0.44 0.11 -1.26 0.21 120.40 118.32 2jov s VAL 9 Ca 0.00 -0.21 0.09 0.00 -2.93 0.00 0.00 61.98 58.92 2jov s VAL 9 Cb 0.00 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2jov s VAL 9 CO 0.00 0.28 -0.10 0.54 -3.33 0.00 0.00 175.10 172.49 2jov s VAL 10 N 1.04 3.20 0.03 2.04 0.11 -0.30 -4.90 120.40 121.61 2jov s VAL 10 Ca -0.09 -1.58 -0.30 0.00 -2.93 0.00 0.00 61.98 57.08 2jov s VAL 10 Cb -0.14 -2.56 -0.05 0.00 -1.53 0.00 0.00 36.38 32.10 2jov s VAL 10 CO -0.00 -0.06 1.17 -0.13 -3.33 0.00 0.00 175.10 172.75 2jov s ARG 11 N -2.67 4.43 -0.15 1.54 0.52 -1.26 -0.47 118.95 120.89 2jov s ARG 11 Ca 0.24 1.70 -0.23 0.00 -0.52 0.00 0.00 55.73 56.91 2jov s ARG 11 Cb -0.09 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 2jov s ARG 11 CO 0.15 -0.27 0.73 0.08 0.02 0.00 0.00 175.30 176.00 2jov s VAL 12 N 1.32 4.97 -0.20 3.52 1.01 0.88 -4.28 120.40 127.62 2jov s VAL 12 Ca 0.57 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.94 2jov s VAL 12 Cb -0.27 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2jov s VAL 12 CO 0.27 0.12 -0.03 -0.60 0.00 0.00 0.00 175.10 174.87 2jov s ARG 13 N 1.69 3.50 0.00 2.72 3.52 0.01 -4.88 118.95 125.52 2jov s ARG 13 Ca 0.35 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 2jov s ARG 13 Cb -0.17 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 2jov s ARG 13 CO 0.13 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.97 2jov n GLY 14 N 4.44 0.38 3.55 8.12 0.00 -1.26 -4.29 105.19 116.13 2jov n GLY 14 Ca -0.18 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 2jov n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jov s SER 15 N -2.15 5.46 0.31 1.61 0.01 -1.26 -4.91 113.70 112.77 2jov s SER 15 Ca 0.00 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.00 2jov s SER 15 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2jov s SER 15 CO 0.00 -2.35 0.23 -1.59 0.41 0.00 0.00 173.24 169.94 2jov s LYS 16 N 6.66 1.64 -0.10 12.44 0.00 -1.26 -4.56 119.74 134.56 2jov s LYS 16 Ca 0.62 -1.94 0.08 0.00 0.00 0.00 0.00 55.97 54.73 2jov s LYS 16 Cb -0.09 0.22 -0.11 0.00 0.00 0.00 0.00 37.83 37.85 2jov s LYS 16 CO 0.09 -0.57 0.02 1.17 0.00 0.00 0.00 175.35 176.06 2jov n LYS 17 N -0.57 2.33 -3.65 1.78 3.00 -1.11 -4.92 118.16 115.02 2jov n LYS 17 Ca 0.05 -0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.99 2jov n LYS 17 Cb 0.63 -1.24 -0.06 0.00 0.00 0.00 0.00 35.03 34.36 2jov n LYS 17 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2jov s TYR 18 N -2.23 3.64 -0.04 5.64 1.51 -1.26 -5.01 117.35 119.60 2jov s TYR 18 Ca -0.05 0.75 -0.22 0.00 -1.01 0.00 0.00 57.07 56.54 2jov s TYR 18 Cb 0.03 -2.17 -0.27 0.00 -0.11 0.00 0.00 41.96 39.44 2jov s TYR 18 CO 0.38 0.61 0.98 -0.97 -1.11 0.00 0.00 175.55 175.44 2jov h ASN 19 N 5.14 0.41 -4.32 2.29 -1.24 -1.95 -3.44 115.58 112.47 2jov h ASN 19 Ca -0.51 -0.86 -0.48 0.00 0.71 0.00 0.00 56.30 55.15 2jov h ASN 19 Cb 1.21 -0.13 -0.23 0.00 0.73 0.00 0.00 38.32 39.90 2jov h ASN 19 CO 0.63 1.23 -0.81 0.68 -1.29 0.00 0.00 177.43 177.87 2jov s VAL 20 N -2.80 1.34 -0.11 2.57 -7.23 -1.26 -0.08 120.40 112.82 2jov s VAL 20 Ca -0.14 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2jov s VAL 20 Cb 0.01 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.75 2jov s VAL 20 CO 0.80 -0.03 -0.10 0.54 -0.31 0.00 0.00 175.10 176.00 2jov s VAL 21 N -1.02 1.17 0.13 1.32 0.11 0.38 -4.88 120.40 117.61 2jov s VAL 21 Ca 0.03 -0.39 -0.31 0.00 -2.93 0.00 0.00 61.98 58.37 2jov s VAL 21 Cb -0.09 -1.14 -0.11 0.00 -1.53 0.00 0.00 36.38 33.51 2jov s VAL 21 CO 0.02 0.39 1.84 -2.65 -3.33 0.00 0.00 175.10 171.37 2jov n PRO 22 N 4.75 2.83 -4.38 1.54 -0.02 -1.26 -1.15 135.00 137.30 2jov n PRO 22 Ca -0.15 1.03 -0.26 0.00 -2.02 0.00 0.00 63.50 62.10 2jov n PRO 22 Cb 0.50 -2.93 -0.10 0.00 -0.02 0.00 0.00 33.50 30.95 2jov n PRO 22 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2jov s VAL 23 N 2.67 2.69 0.31 -1.45 -7.23 0.13 -2.43 120.40 115.11 2jov s VAL 23 Ca 0.81 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2jov s VAL 23 Cb -0.47 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 2jov s VAL 23 CO 0.37 -0.17 0.34 -1.59 -0.31 0.00 0.00 175.10 173.74 2jov s LYS 24 N -2.90 1.74 0.04 4.82 -2.85 0.33 -0.99 119.74 119.93 2jov s LYS 24 Ca 0.24 -1.83 0.04 0.00 -1.00 0.00 0.00 55.97 53.41 2jov s LYS 24 Cb -0.08 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 2jov s LYS 24 CO 0.13 -0.67 -0.02 0.45 0.10 0.00 0.00 175.35 175.34 2jov s SER 25 N -3.28 4.93 0.00 0.03 0.15 -0.50 -1.76 113.70 113.27 2jov s SER 25 Ca 0.36 -0.13 0.28 0.00 0.70 0.00 0.00 55.95 57.16 2jov s SER 25 Cb 0.02 -1.19 1.05 0.00 -1.71 0.00 0.00 66.02 64.18 2jov s SER 25 CO 0.22 0.23 1.77 -0.46 1.20 0.00 0.00 173.24 176.20 2jov n ASN 26 N 1.05 0.27 -3.93 5.45 6.94 -1.25 -4.80 115.26 118.98 2jov n ASN 26 Ca -0.13 -0.03 -0.11 0.00 -0.02 0.00 0.00 54.58 54.28 2jov n ASN 26 Cb 0.52 -0.16 -0.13 0.00 -2.36 0.00 0.00 39.78 37.65 2jov n ASN 26 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2jov s LYS 27 N -2.83 0.20 0.17 -3.83 1.02 -1.26 -5.08 119.74 108.12 2jov s LYS 27 Ca 0.18 -0.30 -0.32 0.00 0.02 0.00 0.00 55.97 55.55 2jov s LYS 27 Cb 0.19 -0.02 -0.10 0.00 -0.52 0.00 0.00 37.83 37.37 2jov s LYS 27 CO 0.56 -0.00 1.60 -2.14 -0.92 0.00 0.00 175.35 174.44 2jov s PRO 28 N -0.68 4.20 0.49 -1.68 0.02 -1.26 -4.64 135.00 131.45 2jov s PRO 28 Ca -0.07 2.40 0.04 0.00 0.02 0.00 0.00 61.00 63.40 2jov s PRO 28 Cb -0.05 -3.15 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 2jov s PRO 28 CO -0.00 -0.63 0.11 0.14 -0.33 0.00 0.00 177.00 176.28 2jov s VAL 29 N 1.17 1.55 0.02 3.83 -7.23 -0.29 -4.73 120.40 114.72 2jov s VAL 29 Ca 0.71 -1.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 2jov s VAL 29 Cb -0.45 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.02 2jov s VAL 29 CO 0.31 0.00 1.57 -1.61 -0.31 0.00 0.00 175.10 175.06 2jov s GLU 30 N -3.94 4.22 0.56 4.82 8.01 -1.26 -0.34 118.70 130.78 2jov s GLU 30 Ca 0.21 2.18 0.30 0.00 0.01 0.00 0.00 54.97 57.67 2jov s GLU 30 Cb 0.02 -3.67 1.67 0.00 -4.31 0.00 0.00 34.13 27.84 2jov s GLU 30 CO 0.12 -0.71 2.15 0.97 0.01 0.00 0.00 175.26 177.80 2jov h ILE 31 N 5.00 0.46 -0.03 -1.63 2.10 -1.92 -0.83 117.51 120.66 2jov h ILE 31 Ca -0.40 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.22 2jov h ILE 31 Cb 1.19 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 38.14 2jov h ILE 31 CO 0.93 0.06 0.00 -1.54 -1.08 0.00 0.00 178.15 176.52 2jov n SER 32 N -3.60 0.59 -0.95 2.19 3.41 -1.26 -2.92 113.62 111.06 2jov n SER 32 Ca -0.02 -1.33 0.10 0.00 -0.26 0.00 0.00 58.87 57.36 2jov n SER 32 Cb 0.18 -0.02 0.27 0.00 -0.26 0.00 0.00 64.21 64.38 2jov n SER 32 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jov n LYS 33 N -0.48 2.22 0.18 4.33 5.02 -0.32 -4.29 118.16 124.82 2jov n LYS 33 Ca 0.19 -1.87 0.10 0.00 -2.02 0.00 0.00 58.31 54.71 2jov n LYS 33 Cb 0.19 -1.45 0.62 0.00 -0.02 0.00 0.00 35.03 34.37 2jov n LYS 33 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 2jov h TRP 34 N 3.36 0.07 -0.52 2.13 5.08 -1.69 -0.79 115.95 123.59 2jov h TRP 34 Ca 0.00 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.87 2jov h TRP 34 Cb 0.75 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 26.87 2jov h TRP 34 CO 0.27 0.04 -0.07 -0.84 -1.28 0.00 0.00 178.44 176.57 2jov h ILE 35 N 0.07 1.26 0.06 0.12 3.07 -1.87 -0.78 117.51 119.45 2jov h ILE 35 Ca 0.06 -1.18 -0.28 0.00 1.55 0.00 0.00 64.86 65.01 2jov h ILE 35 Cb 0.16 0.94 0.03 0.00 -0.27 0.00 0.00 36.82 37.68 2jov h ILE 35 CO -0.01 0.42 -1.13 0.44 -1.05 0.00 0.00 178.15 176.82 2jov h ASP 36 N 0.84 0.90 0.10 2.16 3.32 -1.49 -0.79 116.42 121.46 2jov h ASP 36 Ca 0.14 -0.78 -0.00 0.00 0.02 0.00 0.00 57.03 56.41 2jov h ASP 36 Cb 0.60 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2jov h ASP 36 CO 0.04 1.57 -0.05 -0.26 -1.72 0.00 0.00 179.24 178.82 2jov h PHE 37 N 0.33 -0.13 0.00 4.55 0.04 -1.27 -2.55 116.94 117.92 2jov h PHE 37 Ca -0.16 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 2jov h PHE 37 Cb 1.79 0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.98 2jov h PHE 37 CO 0.11 0.18 -0.10 0.77 -0.60 0.00 0.00 178.31 178.67 2jov h SER 38 N -0.44 0.00 0.06 2.17 0.02 -1.22 -0.20 113.55 113.94 2jov h SER 38 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2jov h SER 38 Cb 0.36 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2jov h SER 38 CO 0.02 0.10 -0.04 -1.13 -1.14 0.00 0.00 176.83 174.64 2jov h ASN 39 N 0.00 -0.11 -0.34 3.07 -0.73 -0.86 0.82 115.58 117.44 2jov h ASN 39 Ca -0.00 0.01 -0.16 0.00 1.87 0.00 0.00 56.30 58.02 2jov h ASN 39 Cb 0.26 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.88 2jov h ASN 39 CO 0.01 -0.07 -0.40 0.58 -0.37 0.00 0.00 177.43 177.18 2jov h VAL 40 N -0.10 1.28 -0.19 2.57 2.07 -0.99 -3.07 116.25 117.82 2jov h VAL 40 Ca -0.00 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 2jov h VAL 40 Cb 0.09 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2jov h VAL 40 CO -0.00 0.52 0.06 -0.07 0.02 0.00 0.00 177.57 178.09 2jov h LEU 41 N 0.66 0.23 -2.17 2.57 3.38 -0.88 0.16 115.31 119.26 2jov h LEU 41 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2jov h LEU 41 Cb 1.00 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2jov h LEU 41 CO 0.10 0.23 -0.03 -1.28 0.09 0.00 0.00 178.44 177.55 2jov h SER 42 N 0.26 0.00 -0.09 -0.43 0.87 -0.73 -1.48 113.55 111.95 2jov h SER 42 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2jov h SER 42 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2jov h SER 42 CO -0.01 0.03 0.00 -1.14 -0.53 0.00 0.00 176.83 175.18 2jov n ARG 43 N -3.22 1.15 -3.59 2.24 3.00 -0.09 -4.85 116.66 111.31 2jov n ARG 43 Ca -0.01 -1.42 -0.40 0.00 -0.00 0.00 0.00 57.85 56.02 2jov n ARG 43 Cb 0.20 -1.25 -0.07 0.00 0.00 0.00 0.00 32.46 31.33 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 -1.03 5.72 -0.67 6.15 2.96 -0.42 -5.01 118.68 126.38 2jov s LEU 44 Ca 0.17 -2.65 -0.15 0.00 -0.22 0.00 0.00 54.13 51.27 2jov s LEU 44 Cb 0.11 -1.97 0.17 0.00 0.50 0.00 0.00 46.19 44.99 2jov s LEU 44 CO 0.16 -0.48 0.63 -0.31 -1.32 0.00 0.00 176.35 175.04 2jov s TYR 45 N 0.24 3.45 0.00 5.38 2.02 -1.26 -4.87 117.35 122.30 2jov s TYR 45 Ca 0.15 -1.57 0.00 0.00 -0.37 0.00 0.00 57.07 55.29 2jov s TYR 45 Cb -0.18 -3.83 0.00 0.00 -0.40 0.00 0.00 41.96 37.55 2jov s TYR 45 CO -0.05 -1.03 0.00 1.33 -1.57 0.00 0.00 175.55 174.23 2jov n VAL 46 N 4.74 0.00 0.00 0.71 0.24 -1.26 -4.64 118.33 118.12 2jov n VAL 46 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2jov n VAL 46 Cb 0.43 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 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 0.00 1.23 1.53 7.63 0.00 -1.26 -0.81 105.19 113.52 2jov n GLY 47 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -9.10 -1.41 1.61 0.31 -1.26 -4.77 118.33 103.72 2jov n VAL 48 Ca 0.00 2.07 -0.49 0.00 -0.01 0.00 0.00 64.34 65.92 2jov n VAL 48 Cb 0.00 -4.33 -0.12 0.00 -0.91 0.00 0.00 33.84 28.48 2jov n VAL 48 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2jov n PRO 49 N 1.15 0.25 -0.78 5.55 -0.02 -1.26 -4.87 135.00 135.02 2jov n PRO 49 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2jov n PRO 49 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 7.15 0.00 -4.45 3.45 -2.24 -1.24 -4.84 114.28 112.10 2jov n THR 50 Ca 0.56 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 62.14 2jov n THR 50 Cb 0.08 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.00 1.20 -2.04 -0.78 5.02 -1.26 0.14 118.16 120.44 2jov n LYS 51 Ca 0.00 -2.27 -0.42 0.00 -2.02 0.00 0.00 58.31 53.60 2jov n LYS 51 Cb 0.00 0.65 -0.03 0.00 -0.02 0.00 0.00 35.03 35.64 2jov n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jov s SER 52 N -2.71 6.69 0.00 4.39 0.01 -1.26 -3.13 113.70 117.70 2jov s SER 52 Ca 0.01 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.75 2jov s SER 52 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2jov s SER 52 CO 0.01 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.51 2jov n GLY 53 N 3.66 1.00 3.74 3.44 0.00 0.73 -4.96 105.19 112.80 2jov n GLY 53 Ca 0.13 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.28 7.15 -0.25 1.61 2.20 -0.97 -4.84 114.94 117.55 2jov s ASN 54 Ca 0.00 1.38 -0.19 0.00 -0.94 0.00 0.00 52.86 53.10 2jov s ASN 54 Cb 0.00 -2.45 -0.02 0.00 -2.00 0.00 0.00 41.25 36.78 2jov s ASN 54 CO 0.00 -0.02 0.57 -0.69 -2.94 0.00 0.00 177.10 174.03 2jov s VAL 55 N 0.15 5.03 -0.21 3.54 1.01 -1.26 -0.87 120.40 127.79 2jov s VAL 55 Ca 0.38 1.02 -0.18 0.00 0.00 0.00 0.00 61.98 63.20 2jov s VAL 55 Cb -0.20 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 32.16 2jov s VAL 55 CO 0.22 0.07 0.00 1.33 0.00 0.00 0.00 175.10 176.72 2jov n VAL 56 N 5.11 1.51 -3.86 2.92 0.24 -0.52 -4.91 118.33 118.82 2jov n VAL 56 Ca -0.02 -0.03 -0.27 0.00 -2.04 0.00 0.00 64.34 61.98 2jov n VAL 56 Cb 0.49 -2.10 -0.17 0.00 -1.47 0.00 0.00 33.84 30.59 2jov n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jov s LYS 58 N 1.74 4.00 -0.90 0.00 2.20 -1.26 -0.52 119.74 125.00 2jov s LYS 58 Ca 0.03 -0.15 -0.05 0.00 -0.36 0.00 0.00 55.97 55.43 2jov s LYS 58 Cb -0.14 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 2jov s LYS 58 CO -0.07 0.43 0.71 -1.71 -0.36 0.00 0.00 175.35 174.34 2jov n ASN 59 N 3.09 -4.79 -4.71 1.43 5.15 0.82 -4.91 115.26 111.34 2jov n ASN 59 Ca -0.17 -0.32 -0.42 0.00 -0.60 0.00 0.00 54.58 53.07 2jov n ASN 59 Cb 0.53 -3.42 -0.03 0.00 -0.53 0.00 0.00 39.78 36.33 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 2.34 -0.98 -1.44 2.07 -1.10 -0.91 121.20 118.01 2jov s ILE 60 Ca 0.35 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 2jov s ILE 60 Cb -0.15 -3.09 0.00 0.00 0.13 0.00 0.00 42.46 39.34 2jov s ILE 60 CO 0.43 0.01 0.00 0.23 -1.91 0.00 0.00 174.94 173.70 2jov n MET 61 N 4.52 -1.15 -3.18 3.50 2.81 -1.26 -2.30 117.12 120.07 2jov n MET 61 Ca 0.16 0.77 -0.23 0.00 -1.81 0.00 0.00 57.70 56.59 2jov n MET 61 Cb 0.37 -4.86 0.05 0.00 -0.71 0.00 0.00 33.22 28.07 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 -0.47 -6.18 0.10 7.83 4.13 -0.09 -4.90 115.26 115.68 2jov n ASN 62 Ca -0.09 -0.36 0.00 0.00 1.68 0.00 0.00 54.58 55.81 2jov n ASN 62 Cb 0.43 -4.94 -0.03 0.00 -1.54 0.00 0.00 39.78 33.71 2jov n ASN 62 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2jov h THR 63 N -1.76 0.91 0.00 3.41 1.35 -1.59 -3.47 112.91 111.75 2jov h THR 63 Ca -0.54 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 2jov h THR 63 Cb 1.36 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 2jov h THR 63 CO 0.56 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 176.96 2jov n GLY 64 N 1.29 0.75 3.53 5.82 0.00 -1.26 -5.05 105.19 110.27 2jov n GLY 64 Ca -0.01 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 3.98 -0.24 1.61 1.01 -1.26 -4.77 120.40 118.73 2jov s VAL 65 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2jov s VAL 65 Cb 0.00 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2jov s VAL 65 CO 0.00 0.51 0.17 1.51 0.00 0.00 0.00 175.10 177.29 2jov s ASP 66 N 0.15 6.12 -0.20 3.32 -4.77 -1.26 -0.13 116.67 119.90 2jov s ASP 66 Ca -0.01 0.12 -0.28 0.00 -3.30 0.00 0.00 52.55 49.09 2jov s ASP 66 Cb -0.14 -2.11 0.00 0.00 -1.09 0.00 0.00 42.92 39.59 2jov s ASP 66 CO 0.03 0.06 0.97 -0.63 0.70 0.00 0.00 175.17 176.30 2jov s ILE 67 N 1.09 4.75 -0.03 2.11 -1.09 0.33 -3.83 121.20 124.51 2jov s ILE 67 Ca 0.08 1.91 0.07 0.00 -2.23 0.00 0.00 60.65 60.47 2jov s ILE 67 Cb -0.14 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.47 2jov s ILE 67 CO 0.05 -0.11 -0.24 0.27 -1.23 0.00 0.00 174.94 173.68 2jov s ILE 68 N 2.81 1.94 0.08 2.92 -4.36 -0.72 -1.43 121.20 122.43 2jov s ILE 68 Ca 0.42 -1.03 -0.16 0.00 -0.26 0.00 0.00 60.65 59.63 2jov s ILE 68 Cb -0.16 -1.62 -0.06 0.00 1.25 0.00 0.00 42.46 41.87 2jov s ILE 68 CO 0.09 0.55 0.50 0.00 0.24 0.00 0.00 174.94 176.32 2jov n THR 70 N 1.40 0.22 -3.56 0.00 5.66 -1.02 -0.19 114.28 116.78 2jov n THR 70 Ca -0.10 -0.61 -0.37 0.00 -3.05 0.00 0.00 64.05 59.93 2jov n THR 70 Cb 0.52 1.05 -0.07 0.00 -1.55 0.00 0.00 70.33 70.28 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 -0.87 4.16 -0.39 1.09 2.36 -1.26 -4.22 119.74 120.61 2jov s LYS 71 Ca 0.14 0.11 -0.26 0.00 -2.55 0.00 0.00 55.97 53.40 2jov s LYS 71 Cb 0.09 -3.39 0.02 0.00 -1.05 0.00 0.00 37.83 33.50 2jov s LYS 71 CO 0.13 0.33 0.95 -0.80 1.55 0.00 0.00 175.35 177.50 2jov s ASN 72 N 0.19 6.65 -0.21 1.43 0.02 -1.26 -4.40 114.94 117.36 2jov s ASN 72 Ca 0.17 0.51 -0.13 0.00 -1.02 0.00 0.00 52.86 52.39 2jov s ASN 72 Cb -0.13 -2.47 -0.05 0.00 0.02 0.00 0.00 41.25 38.62 2jov s ASN 72 CO 0.05 -0.92 0.27 -0.76 0.02 0.00 0.00 177.10 175.75 2jov s LEU 73 N 3.60 4.15 0.40 0.60 1.43 0.12 -4.95 118.68 124.04 2jov s LEU 73 Ca 0.39 0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.54 2jov s LEU 73 Cb -0.11 -2.29 -0.10 0.00 0.03 0.00 0.00 46.19 43.72 2jov s LEU 73 CO 0.21 0.02 1.47 -2.84 0.23 0.00 0.00 176.35 175.43 2jov s PRO 74 N 1.06 3.95 -0.22 1.29 0.02 -1.26 -3.69 135.00 136.15 2jov s PRO 74 Ca 0.13 2.52 0.12 0.00 0.02 0.00 0.00 61.00 63.79 2jov s PRO 74 Cb -0.14 -2.86 0.43 0.00 0.02 0.00 0.00 34.50 31.96 2jov s PRO 74 CO 0.05 -0.64 1.20 1.17 -0.33 0.00 0.00 177.00 178.46 2jov n LYS 75 N 0.22 2.00 -1.60 5.54 4.81 -1.26 -2.75 118.16 125.12 2jov n LYS 75 Ca 0.02 -3.44 -0.40 0.00 -0.87 0.00 0.00 58.31 53.63 2jov n LYS 75 Cb 0.40 -1.66 -0.03 0.00 0.02 0.00 0.00 35.03 33.76 2jov n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2jov s ASP 76 N -3.25 4.99 -0.36 3.14 1.11 -1.26 -4.79 116.67 116.25 2jov s ASP 76 Ca 0.41 1.49 0.14 0.00 0.18 0.00 0.00 52.55 54.77 2jov s ASP 76 Cb 0.38 -2.51 0.41 0.00 1.07 0.00 0.00 42.92 42.28 2jov s ASP 76 CO -0.05 -2.38 1.04 -1.54 1.18 0.00 0.00 175.17 173.42 2jov n SER 77 N 13.61 0.18 -0.30 0.27 3.41 -1.26 -4.84 113.62 124.69 2jov n SER 77 Ca 0.33 -2.77 0.05 0.00 -0.26 0.00 0.00 58.87 56.22 2jov n SER 77 Cb 0.50 0.05 0.25 0.00 -0.26 0.00 0.00 64.21 64.76 2jov n SER 77 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2jov h LEU 78 N 2.74 0.88 -8.63 1.04 -0.00 -2.06 -3.35 115.31 105.93 2jov h LEU 78 Ca -0.12 0.01 -0.66 0.00 -0.00 0.00 0.00 57.88 57.11 2jov h LEU 78 Cb 1.17 -0.17 -0.16 0.00 -0.00 0.00 0.00 40.66 41.50 2jov h LEU 78 CO 0.32 0.55 -0.00 -0.70 -0.00 0.00 0.00 178.44 178.61 2jov s GLU 79 N -5.88 3.33 0.50 1.13 2.12 -1.26 -5.04 118.70 113.59 2jov s GLU 79 Ca -0.11 -0.40 -0.21 0.00 0.36 0.00 0.00 54.97 54.61 2jov s GLU 79 Cb 0.20 -3.92 -0.07 0.00 0.26 0.00 0.00 34.13 30.60 2jov s GLU 79 CO 0.80 -0.87 1.09 -1.01 -0.54 0.00 0.00 175.26 174.73 2jov s HIS 80 N 2.54 2.87 -0.38 5.30 3.76 -1.26 -4.91 115.29 123.21 2jov s HIS 80 Ca 0.19 1.56 -0.28 0.00 -0.15 0.00 0.00 55.06 56.38 2jov s HIS 80 Cb -0.15 -3.20 -0.01 0.00 1.11 0.00 0.00 32.58 30.33 2jov s HIS 80 CO 0.16 -1.19 1.74 -1.01 -0.85 0.00 0.00 174.74 173.59 2jov s HIS 81 N -1.82 1.89 -0.17 1.40 0.09 -1.26 -4.20 115.29 111.21 2jov s HIS 81 Ca 0.68 0.65 -0.05 0.00 -0.00 0.00 0.00 55.06 56.35 2jov s HIS 81 Cb -0.21 -4.15 0.02 0.00 -0.00 0.00 0.00 32.58 28.23 2jov s HIS 81 CO 0.25 -2.70 0.10 0.72 -0.00 0.00 0.00 174.74 173.10 2jov n HIS 82 N 10.38 -3.06 -3.97 1.40 8.25 -1.26 -5.05 115.22 121.91 2jov n HIS 82 Ca 0.21 1.60 -0.25 0.00 -0.26 0.00 0.00 57.72 59.02 2jov n HIS 82 Cb 0.48 -3.27 -0.03 0.00 1.12 0.00 0.00 29.99 28.29 2jov n HIS 82 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jov s HIS 83 N -0.79 3.44 0.45 4.41 -3.43 -1.26 -5.12 115.29 112.99 2jov s HIS 83 Ca -0.11 0.08 0.05 0.00 -0.80 0.00 0.00 55.06 54.28 2jov s HIS 83 Cb 0.01 -1.63 -0.04 0.00 -1.43 0.00 0.00 32.58 29.49 2jov s HIS 83 CO 0.57 0.50 0.12 -3.38 -2.00 0.00 0.00 174.74 170.55 2jov s HIS 84 N -1.79 2.26 0.00 0.38 -3.43 -1.26 -5.20 115.29 106.25 2jov s HIS 84 Ca 0.34 -0.74 0.00 0.00 -0.80 0.00 0.00 55.06 53.86 2jov s HIS 84 Cb -0.11 -1.82 0.00 0.00 -1.43 0.00 0.00 32.58 29.23 2jov s HIS 84 CO 0.28 0.18 0.16 -2.39 -2.00 0.00 0.00 174.74 170.97