#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 -0.90 -0.38 1.12 5.65 -1.26 -5.08 115.29 114.44 2jov s HIS 2 Ca 0.00 1.59 -0.20 0.00 0.25 0.00 0.00 55.06 56.70 2jov s HIS 2 Cb 0.00 0.54 0.01 0.00 -1.18 0.00 0.00 32.58 31.95 2jov s HIS 2 CO 0.00 -0.45 0.62 0.15 -0.65 0.00 0.00 174.74 174.41 2jov s LYS 3 N 2.44 3.53 0.32 2.88 -0.14 -1.26 -1.93 119.74 125.58 2jov s LYS 3 Ca -0.05 -0.14 0.03 0.00 -1.36 0.00 0.00 55.97 54.46 2jov s LYS 3 Cb -0.08 -3.86 -0.06 0.00 -1.68 0.00 0.00 37.83 32.16 2jov s LYS 3 CO -0.18 -0.82 0.08 0.34 -0.76 0.00 0.00 175.35 174.01 2jov s ASP 4 N 1.86 2.09 -0.39 2.83 -1.08 0.18 -4.74 116.67 117.42 2jov s ASP 4 Ca 0.23 -1.42 -0.23 0.00 -0.52 0.00 0.00 52.55 50.61 2jov s ASP 4 Cb -0.14 0.06 0.01 0.00 -1.46 0.00 0.00 42.92 41.39 2jov s ASP 4 CO 0.16 -0.68 0.76 -0.63 0.52 0.00 0.00 175.17 175.30 2jov s ILE 5 N -3.41 4.73 -0.17 4.11 -1.09 -1.26 -0.05 121.20 124.05 2jov s ILE 5 Ca 0.35 0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 59.16 2jov s ILE 5 Cb 0.08 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 2jov s ILE 5 CO 0.15 -0.52 1.78 0.12 -1.23 0.00 0.00 174.94 175.24 2jov s PHE 6 N 3.11 1.80 -0.06 3.97 5.36 -1.26 -4.85 117.98 126.05 2jov s PHE 6 Ca 0.30 0.36 0.04 0.00 -0.96 0.00 0.00 56.93 56.67 2jov s PHE 6 Cb -0.13 -4.01 -0.00 0.00 -0.34 0.00 0.00 43.02 38.53 2jov s PHE 6 CO 0.19 -3.62 -0.20 0.95 -1.46 0.00 0.00 175.22 171.07 2jov s THR 7 N 5.54 1.70 0.00 0.12 -4.23 -1.26 -1.51 115.64 116.00 2jov s THR 7 Ca 0.79 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2jov s THR 7 Cb -0.30 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.08 2jov s THR 7 CO 0.32 0.48 0.00 -0.24 -0.54 0.00 0.00 174.62 174.64 2jov n SER 8 N 3.26 0.00 -3.82 3.99 2.88 -0.65 -4.99 113.62 114.28 2jov n SER 8 Ca -0.19 -0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 56.87 2jov n SER 8 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.84 2jov n SER 8 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jov s VAL 9 N -2.42 -0.02 0.10 2.46 0.11 -1.26 -0.08 120.40 119.28 2jov s VAL 9 Ca 0.00 0.08 0.09 0.00 -2.93 0.00 0.00 61.98 59.22 2jov s VAL 9 Cb 0.00 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.73 2jov s VAL 9 CO 0.00 0.03 -0.23 0.54 -3.33 0.00 0.00 175.10 172.11 2jov s VAL 10 N 0.42 1.93 0.35 2.04 0.11 -0.09 -4.94 120.40 120.23 2jov s VAL 10 Ca -0.03 -1.55 -0.27 0.00 -2.93 0.00 0.00 61.98 57.20 2jov s VAL 10 Cb -0.05 -1.72 -0.09 0.00 -1.53 0.00 0.00 36.38 33.00 2jov s VAL 10 CO -0.01 0.07 1.10 -0.13 -3.33 0.00 0.00 175.10 172.80 2jov s ARG 11 N -1.79 4.33 0.02 1.54 0.52 -1.26 -0.35 118.95 121.95 2jov s ARG 11 Ca 0.10 1.72 0.01 0.00 -0.52 0.00 0.00 55.73 57.04 2jov s ARG 11 Cb -0.10 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 2jov s ARG 11 CO 0.04 -0.05 0.05 0.08 0.02 0.00 0.00 175.30 175.45 2jov s VAL 12 N -1.39 4.50 0.32 3.52 1.01 0.11 -2.41 120.40 126.05 2jov s VAL 12 Ca 0.52 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.02 2jov s VAL 12 Cb -0.28 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2jov s VAL 12 CO 0.36 0.30 0.28 -1.14 0.00 0.00 0.00 175.10 174.90 2jov n ARG 13 N 1.08 0.40 0.00 2.72 0.63 0.69 -4.69 116.66 117.49 2jov n ARG 13 Ca -0.12 -3.16 0.00 0.00 -0.92 0.00 0.00 57.85 53.64 2jov n ARG 13 Cb 0.52 2.62 0.00 0.00 0.45 0.00 0.00 32.46 36.05 2jov n ARG 13 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jov n GLY 14 N -0.60 -0.11 0.52 5.14 0.00 -1.26 -2.82 105.19 106.06 2jov n GLY 14 Ca 0.07 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 0.97 -3.66 1.61 7.64 -1.26 -4.62 113.62 114.30 2jov n SER 15 Ca 0.00 -1.79 -0.14 0.00 1.01 0.00 0.00 58.87 57.94 2jov n SER 15 Cb 0.00 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 62.67 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 -0.95 0.75 -1.02 1.43 0.00 -1.26 -4.87 119.74 113.81 2jov s LYS 16 Ca 0.00 0.64 -0.18 0.00 0.00 0.00 0.00 55.97 56.43 2jov s LYS 16 Cb 0.00 0.36 0.12 0.00 0.00 0.00 0.00 37.83 38.31 2jov s LYS 16 CO 0.00 -0.13 1.28 0.21 0.00 0.00 0.00 175.35 176.71 2jov s LYS 17 N -0.07 3.72 -0.01 1.78 2.20 -1.26 -4.71 119.74 121.39 2jov s LYS 17 Ca -0.03 -1.82 0.07 0.00 -0.36 0.00 0.00 55.97 53.82 2jov s LYS 17 Cb -0.04 -5.07 -0.03 0.00 -1.51 0.00 0.00 37.83 31.19 2jov s LYS 17 CO 0.03 -1.88 -0.21 -0.47 -0.36 0.00 0.00 175.35 172.45 2jov s TYR 18 N 2.98 2.48 -0.00 4.03 6.14 -1.26 -5.02 117.35 126.69 2jov s TYR 18 Ca 0.38 -0.32 -0.00 0.00 0.64 0.00 0.00 57.07 57.77 2jov s TYR 18 Cb -0.03 -1.51 -0.00 0.00 0.42 0.00 0.00 41.96 40.84 2jov s TYR 18 CO -0.07 0.11 0.12 -0.97 0.64 0.00 0.00 175.55 175.39 2jov h ASN 19 N 5.15 -0.00 -4.65 4.32 -0.00 -1.93 -3.36 115.58 115.11 2jov h ASN 19 Ca -0.45 0.00 -0.26 0.00 -0.00 0.00 0.00 56.30 55.58 2jov h ASN 19 Cb 1.14 0.00 -0.22 0.00 -0.00 0.00 0.00 38.32 39.24 2jov h ASN 19 CO 0.47 0.00 -0.73 0.68 -0.00 0.00 0.00 177.43 177.86 2jov s VAL 20 N -1.26 0.44 -0.09 2.57 -7.23 -1.26 0.09 120.40 113.67 2jov s VAL 20 Ca -0.00 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.28 2jov s VAL 20 Cb 0.00 -0.50 0.01 0.00 0.56 0.00 0.00 36.38 36.45 2jov s VAL 20 CO 0.00 -0.32 -0.13 0.54 -0.31 0.00 0.00 175.10 174.88 2jov s VAL 21 N -1.18 1.27 0.17 1.32 0.11 0.52 -4.87 120.40 117.74 2jov s VAL 21 Ca -0.09 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.13 2jov s VAL 21 Cb -0.09 -1.17 -0.08 0.00 -1.53 0.00 0.00 36.38 33.52 2jov s VAL 21 CO 0.00 0.39 1.26 -2.16 -3.33 0.00 0.00 175.10 171.26 2jov s PRO 22 N 0.87 4.43 0.36 1.54 0.04 -1.26 -0.91 135.00 140.07 2jov s PRO 22 Ca -0.10 1.95 0.09 0.00 0.04 0.00 0.00 61.00 62.98 2jov s PRO 22 Cb -0.15 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 2jov s PRO 22 CO 0.01 -0.20 -0.05 0.14 0.04 0.00 0.00 177.00 176.94 2jov s VAL 23 N 0.23 2.23 0.31 -0.36 -7.23 0.88 -2.99 120.40 113.47 2jov s VAL 23 Ca 0.56 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 58.58 2jov s VAL 23 Cb -0.34 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 33.84 2jov s VAL 23 CO 0.36 -0.15 0.42 -1.59 -0.31 0.00 0.00 175.10 173.83 2jov s LYS 24 N -3.65 1.77 -0.14 4.82 -2.85 0.12 -1.64 119.74 118.16 2jov s LYS 24 Ca 0.33 -1.69 -0.03 0.00 -1.00 0.00 0.00 55.97 53.58 2jov s LYS 24 Cb 0.04 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 2jov s LYS 24 CO 0.17 -0.72 -0.04 -1.12 0.10 0.00 0.00 175.35 173.75 2jov s SER 25 N -3.21 4.79 0.06 0.03 0.01 -0.57 -0.88 113.70 113.94 2jov s SER 25 Ca 0.31 -0.11 0.26 0.00 1.31 0.00 0.00 55.95 57.72 2jov s SER 25 Cb 0.01 -1.72 1.05 0.00 0.21 0.00 0.00 66.02 65.57 2jov s SER 25 CO 0.18 0.19 1.83 -0.46 0.41 0.00 0.00 173.24 175.40 2jov n ASN 26 N 3.36 0.22 -3.92 2.44 0.23 -1.21 -4.67 115.26 111.71 2jov n ASN 26 Ca -0.17 0.53 -0.17 0.00 -0.53 0.00 0.00 54.58 54.23 2jov n ASN 26 Cb 0.53 -0.58 -0.15 0.00 -2.08 0.00 0.00 39.78 37.49 2jov n ASN 26 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2jov s LYS 27 N -3.04 0.53 0.39 -3.83 2.20 -1.26 -5.03 119.74 109.69 2jov s LYS 27 Ca 0.12 -0.12 -0.27 0.00 -0.36 0.00 0.00 55.97 55.35 2jov s LYS 27 Cb 0.16 -0.55 -0.11 0.00 -1.51 0.00 0.00 37.83 35.82 2jov s LYS 27 CO 0.51 0.01 1.28 -0.35 -0.36 0.00 0.00 175.35 176.44 2jov n PRO 28 N 3.48 2.02 -4.64 4.03 -0.04 -1.26 -4.81 135.00 133.77 2jov n PRO 28 Ca -0.19 0.71 -0.29 0.00 -0.04 0.00 0.00 63.50 63.69 2jov n PRO 28 Cb 0.54 -2.36 -0.09 0.00 -0.04 0.00 0.00 33.50 31.55 2jov n PRO 28 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jov s VAL 29 N -1.16 1.41 0.31 0.52 -7.23 0.92 -4.77 120.40 110.40 2jov s VAL 29 Ca 0.58 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 2jov s VAL 29 Cb -0.53 -2.57 -0.10 0.00 0.56 0.00 0.00 36.38 33.74 2jov s VAL 29 CO 0.60 0.00 1.18 -1.61 -0.31 0.00 0.00 175.10 174.96 2jov s GLU 30 N -3.80 4.50 0.61 4.82 2.02 -1.26 0.49 118.70 126.08 2jov s GLU 30 Ca 0.22 1.96 -0.18 0.00 0.02 0.00 0.00 54.97 57.00 2jov s GLU 30 Cb 0.06 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 2jov s GLU 30 CO 0.11 0.03 1.16 0.96 0.02 0.00 0.00 175.26 177.55 2jov s ILE 31 N -1.17 2.92 0.00 -1.63 -4.36 -0.81 -2.83 121.20 113.32 2jov s ILE 31 Ca 0.47 0.52 0.00 0.00 -0.26 0.00 0.00 60.65 61.38 2jov s ILE 31 Cb -0.35 -3.14 0.00 0.00 1.25 0.00 0.00 42.46 40.23 2jov s ILE 31 CO 0.45 -0.17 0.00 -1.20 0.24 0.00 0.00 174.94 174.26 2jov n SER 32 N -1.82 0.00 0.22 4.36 7.64 -1.26 -4.59 113.62 118.17 2jov n SER 32 Ca 0.12 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.15 2jov n SER 32 Cb 0.51 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.44 2jov n SER 32 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jov h LYS 33 N 0.00 0.00 -0.97 1.43 1.63 -1.93 -2.65 116.57 114.09 2jov h LYS 33 Ca 0.00 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.93 2jov h LYS 33 Cb 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.55 2jov h LYS 33 CO 0.00 0.00 0.61 -1.49 -3.45 0.00 0.00 179.45 175.12 2jov h TRP 34 N 0.00 1.04 -0.62 1.91 6.55 -1.81 -2.10 115.95 120.92 2jov h TRP 34 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 2jov h TRP 34 Cb 0.18 -0.33 -0.03 0.00 -0.86 0.00 0.00 29.16 28.12 2jov h TRP 34 CO 0.00 0.39 0.40 0.82 -1.05 0.00 0.00 178.44 179.01 2jov h ILE 35 N 0.89 1.16 -0.30 1.49 5.03 -1.84 0.14 117.51 124.07 2jov h ILE 35 Ca 0.49 -0.31 -0.06 0.00 -0.12 0.00 0.00 64.86 64.85 2jov h ILE 35 Cb 0.58 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 34.62 2jov h ILE 35 CO -0.25 0.16 -0.06 -0.78 -0.68 0.00 0.00 178.15 176.54 2jov h ASP 36 N 0.85 0.57 -0.35 1.72 3.58 -1.58 -0.12 116.42 121.09 2jov h ASP 36 Ca 0.23 -0.35 -0.09 0.00 0.42 0.00 0.00 57.03 57.23 2jov h ASP 36 Cb -0.08 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 2jov h ASP 36 CO -0.05 0.79 -0.11 -0.26 -2.88 0.00 0.00 179.24 176.74 2jov h PHE 37 N 0.35 0.86 -0.15 0.28 0.04 -1.36 -2.46 116.94 114.49 2jov h PHE 37 Ca 0.08 -0.16 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 2jov h PHE 37 Cb 0.53 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2jov h PHE 37 CO 0.05 0.85 -0.21 1.03 -0.60 0.00 0.00 178.31 179.42 2jov h SER 38 N 0.71 0.24 -0.63 2.17 0.87 -0.46 -0.59 113.55 115.86 2jov h SER 38 Ca 0.12 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2jov h SER 38 Cb 0.59 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 2jov h SER 38 CO 0.04 0.47 0.30 0.78 -0.53 0.00 0.00 176.83 177.89 2jov h ASN 39 N 0.23 0.83 -0.19 6.23 2.35 -0.58 -0.05 115.58 124.41 2jov h ASN 39 Ca 0.04 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2jov h ASN 39 Cb 0.51 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2jov h ASN 39 CO 0.03 0.73 0.08 0.58 -1.65 0.00 0.00 177.43 177.21 2jov h VAL 40 N 0.87 1.14 0.00 2.81 2.07 -0.99 -2.87 116.25 119.28 2jov h VAL 40 Ca 0.22 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2jov h VAL 40 Cb 0.13 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2jov h VAL 40 CO -0.03 0.13 -0.13 -0.07 0.02 0.00 0.00 177.57 177.50 2jov h LEU 41 N 0.16 0.00 -2.34 2.57 3.38 -0.91 -1.77 115.31 116.41 2jov h LEU 41 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jov h LEU 41 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2jov h LEU 41 CO -0.01 0.13 -0.01 -1.28 0.09 0.00 0.00 178.44 177.36 2jov h SER 42 N 0.00 0.00 -0.53 -0.43 0.87 -0.77 -1.09 113.55 111.60 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 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2jov h SER 42 CO 0.02 0.01 0.00 0.54 -0.53 0.00 0.00 176.83 176.87 2jov n ARG 43 N -3.16 3.46 -4.76 2.24 1.74 -0.66 -4.96 116.66 110.56 2jov n ARG 43 Ca -0.02 -2.74 -0.33 0.00 -0.77 0.00 0.00 57.85 53.99 2jov n ARG 43 Cb 0.17 -1.78 -0.12 0.00 -1.02 0.00 0.00 32.46 29.71 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 -1.86 2.92 -0.35 0.55 2.96 -0.41 -5.08 118.68 117.40 2jov s LEU 44 Ca 0.45 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 2jov s LEU 44 Cb 0.29 -1.62 0.11 0.00 0.50 0.00 0.00 46.19 45.48 2jov s LEU 44 CO 0.20 0.34 0.12 -0.31 -1.32 0.00 0.00 176.35 175.38 2jov s TYR 45 N -0.67 2.48 -0.11 5.38 2.02 -1.26 -4.29 117.35 120.90 2jov s TYR 45 Ca 0.10 -2.33 -0.30 0.00 -0.37 0.00 0.00 57.07 54.17 2jov s TYR 45 Cb -0.11 -2.19 -0.01 0.00 -0.40 0.00 0.00 41.96 39.25 2jov s TYR 45 CO 0.01 -0.88 1.06 0.54 -1.57 0.00 0.00 175.55 174.72 2jov s VAL 46 N 1.06 4.63 0.49 0.71 0.11 -1.01 -4.60 120.40 121.79 2jov s VAL 46 Ca 0.12 1.92 0.06 0.00 -2.93 0.00 0.00 61.98 61.15 2jov s VAL 46 Cb -0.20 -4.23 0.01 0.00 -1.53 0.00 0.00 36.38 30.43 2jov s VAL 46 CO -0.14 -0.02 0.37 -0.83 -3.33 0.00 0.00 175.10 171.15 2jov s GLY 47 N 1.22 2.30 0.15 6.54 0.00 -1.24 -0.22 107.32 116.07 2jov s GLY 47 Ca 0.50 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2jov s GLY 47 CO 0.17 -1.88 0.00 -0.62 0.00 0.00 0.00 173.10 170.78 2jov n VAL 48 N -1.64 -2.58 -1.63 1.40 0.31 -1.13 -4.82 118.33 108.24 2jov n VAL 48 Ca -0.00 0.88 -0.46 0.00 -0.01 0.00 0.00 64.34 64.75 2jov n VAL 48 Cb 0.64 -1.55 -0.04 0.00 -0.91 0.00 0.00 33.84 31.97 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 -0.50 2.15 -4.52 5.55 -0.02 -1.26 -4.93 135.00 131.46 2jov n PRO 49 Ca 0.00 0.74 -0.27 0.00 -2.02 0.00 0.00 63.50 61.94 2jov n PRO 49 Cb 0.00 -2.83 -0.10 0.00 -0.02 0.00 0.00 33.50 30.55 2jov n PRO 49 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jov s THR 50 N 5.47 2.09 0.40 3.45 -4.23 -1.20 -4.92 115.64 116.70 2jov s THR 50 Ca 0.96 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 59.58 2jov s THR 50 Cb -0.58 -2.97 -0.08 0.00 1.34 0.00 0.00 72.50 70.21 2jov s THR 50 CO 0.46 -0.02 -0.00 -0.75 -0.54 0.00 0.00 174.62 173.77 2jov s LYS 51 N -3.74 1.93 -0.18 3.99 2.20 -1.26 0.20 119.74 122.88 2jov s LYS 51 Ca 0.36 -2.08 -0.36 0.00 -0.36 0.00 0.00 55.97 53.53 2jov s LYS 51 Cb 0.08 -1.62 -0.13 0.00 -1.51 0.00 0.00 37.83 34.65 2jov s LYS 51 CO 0.19 -0.03 1.89 -1.13 -0.36 0.00 0.00 175.35 175.90 2jov n SER 52 N -0.94 2.98 0.00 1.43 3.41 -1.21 -2.18 113.62 117.12 2jov n SER 52 Ca -0.05 0.92 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 2jov n SER 52 Cb 0.67 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 2jov n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jov n GLY 53 N 4.63 1.45 3.74 5.00 0.00 0.15 -4.94 105.19 115.22 2jov n GLY 53 Ca 0.26 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.04 6.93 -0.16 1.61 2.20 -0.93 -4.83 114.94 117.73 2jov s ASN 54 Ca 0.00 1.12 -0.22 0.00 -0.94 0.00 0.00 52.86 52.82 2jov s ASN 54 Cb 0.00 -2.37 -0.03 0.00 -2.00 0.00 0.00 41.25 36.85 2jov s ASN 54 CO 0.00 0.01 0.66 -0.69 -2.94 0.00 0.00 177.10 174.13 2jov s VAL 55 N 0.30 5.02 -0.22 3.54 1.01 -1.26 -0.52 120.40 128.27 2jov s VAL 55 Ca 0.33 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.61 2jov s VAL 55 Cb -0.18 -3.98 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 2jov s VAL 55 CO 0.16 0.15 -0.04 1.33 0.00 0.00 0.00 175.10 176.70 2jov n VAL 56 N 4.41 1.53 -3.79 2.92 0.24 0.08 -4.85 118.33 118.87 2jov n VAL 56 Ca -0.01 -0.64 -0.29 0.00 -2.04 0.00 0.00 64.34 61.36 2jov n VAL 56 Cb 0.50 -1.32 -0.16 0.00 -1.47 0.00 0.00 33.84 31.39 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 1.61 4.21 -1.50 0.00 2.20 -1.26 -1.20 119.74 123.80 2jov s LYS 58 Ca 0.03 0.15 -0.13 0.00 -0.36 0.00 0.00 55.97 55.67 2jov s LYS 58 Cb -0.18 -3.49 0.07 0.00 -1.51 0.00 0.00 37.83 32.73 2jov s LYS 58 CO -0.15 0.09 1.02 -1.71 -0.36 0.00 0.00 175.35 174.23 2jov n ASN 59 N 4.05 -5.02 -0.32 1.43 2.85 -1.22 -4.85 115.26 112.19 2jov n ASN 59 Ca -0.10 -0.74 0.04 0.00 -0.11 0.00 0.00 54.58 53.67 2jov n ASN 59 Cb 0.51 -4.11 0.12 0.00 1.24 0.00 0.00 39.78 37.54 2jov n ASN 59 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 2jov h ILE 60 N -2.20 0.10 -1.08 -1.44 2.10 -1.69 -2.30 117.51 110.99 2jov h ILE 60 Ca -0.58 0.00 -0.41 0.00 1.08 0.00 0.00 64.86 64.95 2jov h ILE 60 Cb 1.37 0.10 -0.41 0.00 -1.09 0.00 0.00 36.82 36.80 2jov h ILE 60 CO 0.65 0.00 -1.07 0.23 -1.08 0.00 0.00 178.15 176.88 2jov n MET 61 N -5.57 1.79 -0.66 2.19 2.81 -1.26 -4.96 117.12 111.46 2jov n MET 61 Ca 0.13 -3.59 0.00 0.00 -1.81 0.00 0.00 57.70 52.43 2jov n MET 61 Cb 0.45 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 2jov n MET 61 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2jov n ASN 62 N -0.22 -2.94 0.04 7.83 0.23 -0.87 -4.73 115.26 114.60 2jov n ASN 62 Ca 0.17 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.35 2jov n ASN 62 Cb 0.78 -2.63 0.52 0.00 -2.08 0.00 0.00 39.78 36.38 2jov n ASN 62 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2jov n THR 63 N -1.60 0.31 -0.23 5.53 5.66 -1.26 -4.89 114.28 117.80 2jov n THR 63 Ca 0.00 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2jov n THR 63 Cb 0.24 -0.61 0.00 0.00 -1.55 0.00 0.00 70.33 68.42 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 1.23 1.51 3.69 1.09 0.00 -1.26 -5.02 105.19 106.44 2jov n GLY 64 Ca 0.06 0.00 -0.42 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 -2.87 4.85 -0.21 1.61 1.01 -1.26 -4.70 120.40 118.83 2jov s VAL 65 Ca 0.00 1.93 -0.05 0.00 0.00 0.00 0.00 61.98 63.86 2jov s VAL 65 Cb 0.00 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2jov s VAL 65 CO 0.00 0.08 -0.00 -1.81 0.00 0.00 0.00 175.10 173.37 2jov s ASP 66 N 1.05 4.79 -0.30 3.32 1.01 -1.26 -3.25 116.67 122.03 2jov s ASP 66 Ca 0.47 -0.22 -0.28 0.00 0.71 0.00 0.00 52.55 53.23 2jov s ASP 66 Cb -0.19 -1.82 0.01 0.00 1.01 0.00 0.00 42.92 41.93 2jov s ASP 66 CO 0.20 0.05 1.00 -0.63 0.21 0.00 0.00 175.17 175.99 2jov s ILE 67 N 1.09 4.62 -0.02 0.77 -1.09 -0.35 -3.28 121.20 122.94 2jov s ILE 67 Ca 0.02 1.66 0.07 0.00 -2.23 0.00 0.00 60.65 60.17 2jov s ILE 67 Cb -0.14 -4.33 -0.02 0.00 -1.58 0.00 0.00 42.46 36.39 2jov s ILE 67 CO 0.01 -0.36 -0.23 0.27 -1.23 0.00 0.00 174.94 173.40 2jov s ILE 68 N 3.39 1.85 0.03 2.92 -4.36 -0.06 -0.75 121.20 124.22 2jov s ILE 68 Ca 0.42 -1.00 -0.20 0.00 -0.26 0.00 0.00 60.65 59.61 2jov s ILE 68 Cb -0.13 -1.53 -0.06 0.00 1.25 0.00 0.00 42.46 41.99 2jov s ILE 68 CO 0.13 0.52 0.57 0.00 0.24 0.00 0.00 174.94 176.40 2jov n THR 70 N 2.25 1.48 -3.71 0.00 5.66 -1.16 0.29 114.28 119.10 2jov n THR 70 Ca -0.09 -1.20 -0.36 0.00 -3.05 0.00 0.00 64.05 59.35 2jov n THR 70 Cb 0.51 0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 69.49 2jov n THR 70 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2jov s LYS 71 N -1.56 3.64 -0.53 1.09 -0.14 -1.26 -4.32 119.74 116.65 2jov s LYS 71 Ca 0.40 0.05 -0.18 0.00 -1.36 0.00 0.00 55.97 54.88 2jov s LYS 71 Cb 0.25 -3.12 0.09 0.00 -1.68 0.00 0.00 37.83 33.36 2jov s LYS 71 CO 0.21 0.68 0.59 -0.80 -0.76 0.00 0.00 175.35 175.26 2jov s ASN 72 N -1.42 6.19 -0.38 2.83 0.02 -1.26 -3.29 114.94 117.63 2jov s ASN 72 Ca 0.25 -1.31 -0.14 0.00 -1.02 0.00 0.00 52.86 50.63 2jov s ASN 72 Cb -0.14 -2.26 0.00 0.00 0.02 0.00 0.00 41.25 38.87 2jov s ASN 72 CO 0.13 -0.91 0.28 -0.76 0.02 0.00 0.00 177.10 175.86 2jov s LEU 73 N 2.29 4.80 0.00 0.60 1.43 0.13 -4.99 118.68 122.94 2jov s LEU 73 Ca 0.10 -0.64 -0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2jov s LEU 73 Cb -0.24 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 43.85 2jov s LEU 73 CO 0.08 -0.35 0.20 -0.81 0.23 0.00 0.00 176.35 175.69 2jov n PRO 74 N 5.16 0.43 -3.61 1.29 -0.04 -1.26 -3.25 135.00 133.71 2jov n PRO 74 Ca -0.12 -0.51 -0.40 0.00 -0.04 0.00 0.00 63.50 62.43 2jov n PRO 74 Cb 0.48 -0.14 -0.09 0.00 -0.04 0.00 0.00 33.50 33.71 2jov n PRO 74 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jov s LYS 75 N -2.95 2.43 1.88 0.54 1.02 -1.26 -4.85 119.74 116.55 2jov s LYS 75 Ca 0.13 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.43 2jov s LYS 75 Cb -0.01 -3.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 2jov s LYS 75 CO 0.09 -1.10 0.00 -0.25 -0.92 0.00 0.00 175.35 173.16 2jov n ASP 76 N 4.85 -4.97 -4.33 2.83 8.00 -1.26 -4.33 116.55 117.33 2jov n ASP 76 Ca -0.08 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 54.96 2jov n ASP 76 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 2jov n ASP 76 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2jov s SER 77 N -4.00 6.90 -0.10 -2.24 1.04 -1.26 -4.77 113.70 109.27 2jov s SER 77 Ca 0.00 -2.91 0.18 0.00 0.48 0.00 0.00 55.95 53.71 2jov s SER 77 Cb 0.00 -2.21 -0.25 0.00 0.10 0.00 0.00 66.02 63.66 2jov s SER 77 CO 0.00 -0.51 0.35 0.18 0.98 0.00 0.00 173.24 174.24 2jov n LEU 78 N 3.70 0.23 -3.54 2.42 4.77 -1.26 -5.02 117.00 118.30 2jov n LEU 78 Ca 0.17 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 2jov n LEU 78 Cb 0.45 0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.78 2jov n LEU 78 CO 0.37 0.31 0.67 -0.70 -1.33 0.00 0.00 177.39 176.71 2jov s GLU 79 N -2.81 0.78 0.40 3.23 -6.30 -1.26 -5.03 118.70 107.71 2jov s GLU 79 Ca -0.08 0.00 0.28 0.00 -2.50 0.00 0.00 54.97 52.67 2jov s GLU 79 Cb 0.08 0.36 1.00 0.00 0.00 0.00 0.00 34.13 35.58 2jov s GLU 79 CO 0.84 -0.28 1.81 1.12 0.02 0.00 0.00 175.26 178.78 2jov h HIS 80 N 2.44 0.00 -1.69 5.30 2.07 -1.99 -3.49 115.15 117.79 2jov h HIS 80 Ca -0.22 0.00 0.18 0.00 -2.85 0.00 0.00 60.37 57.49 2jov h HIS 80 Cb 1.19 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.09 2jov h HIS 80 CO 0.29 0.00 -0.49 0.72 -3.07 0.00 0.00 177.93 175.38 2jov n HIS 81 N -2.74 -1.88 -3.71 6.12 8.25 -1.26 -4.99 115.22 115.01 2jov n HIS 81 Ca 0.02 1.00 -0.14 0.00 -0.26 0.00 0.00 57.72 58.34 2jov n HIS 81 Cb 0.34 -1.71 -0.14 0.00 1.12 0.00 0.00 29.99 29.59 2jov n HIS 81 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jov s HIS 82 N -2.85 -0.22 -0.53 4.41 -3.43 -1.26 -4.99 115.29 106.42 2jov s HIS 82 Ca 0.00 0.63 0.23 0.00 -0.80 0.00 0.00 55.06 55.11 2jov s HIS 82 Cb 0.00 -0.11 -0.02 0.00 -1.43 0.00 0.00 32.58 31.02 2jov s HIS 82 CO 0.00 -0.23 0.96 1.58 -2.00 0.00 0.00 174.74 175.05 2jov n HIS 83 N 4.68 0.28 -3.33 0.38 -0.00 -1.26 -4.91 115.22 111.05 2jov n HIS 83 Ca -0.17 0.08 -0.08 0.00 0.46 0.00 0.00 57.72 58.00 2jov n HIS 83 Cb 0.51 -0.46 0.01 0.00 -0.12 0.00 0.00 29.99 29.93 2jov n HIS 83 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jov n HIS 84 N -2.03 -1.94 0.32 1.57 8.25 -1.26 -5.38 115.22 114.75 2jov n HIS 84 Ca 0.01 -0.81 0.04 0.00 -0.26 0.00 0.00 57.72 56.70 2jov n HIS 84 Cb 0.46 -0.18 0.03 0.00 1.12 0.00 0.00 29.99 31.42 2jov n HIS 84 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56