#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 -0.44 -0.29 1.12 5.65 -1.26 -5.12 115.29 114.94 2jov s HIS 2 Ca 0.00 1.07 -0.29 0.00 0.25 0.00 0.00 55.06 56.09 2jov s HIS 2 Cb 0.00 0.16 -0.00 0.00 -1.18 0.00 0.00 32.58 31.56 2jov s HIS 2 CO 0.00 -0.22 1.34 0.15 -0.65 0.00 0.00 174.74 175.36 2jov s LYS 3 N 0.35 3.89 0.46 2.88 1.02 -1.26 -4.58 119.74 122.50 2jov s LYS 3 Ca -0.01 1.28 0.03 0.00 0.02 0.00 0.00 55.97 57.29 2jov s LYS 3 Cb -0.03 -3.90 -0.01 0.00 -0.52 0.00 0.00 37.83 33.36 2jov s LYS 3 CO -0.01 -1.15 0.10 -0.51 -0.92 0.00 0.00 175.35 172.85 2jov s ASP 4 N 2.99 3.37 -0.31 2.83 1.01 -1.10 -4.81 116.67 120.65 2jov s ASP 4 Ca 0.58 -1.73 -0.29 0.00 0.71 0.00 0.00 52.55 51.82 2jov s ASP 4 Cb -0.17 0.64 0.01 0.00 1.01 0.00 0.00 42.92 44.40 2jov s ASP 4 CO 0.24 -0.97 1.15 -0.63 0.21 0.00 0.00 175.17 175.17 2jov s ILE 5 N -3.07 4.39 0.17 0.77 -1.09 -1.26 -1.22 121.20 119.89 2jov s ILE 5 Ca 0.14 1.60 -0.32 0.00 -2.23 0.00 0.00 60.65 59.84 2jov s ILE 5 Cb 0.01 -4.33 -0.12 0.00 -1.58 0.00 0.00 42.46 36.44 2jov s ILE 5 CO 0.10 -0.47 1.76 0.33 -1.23 0.00 0.00 174.94 175.42 2jov n PHE 6 N 7.07 2.66 -3.70 3.97 7.35 -1.26 -4.84 117.46 128.72 2jov n PHE 6 Ca 0.13 -0.01 -0.12 0.00 -0.76 0.00 0.00 57.45 56.69 2jov n PHE 6 Cb 0.47 -2.69 -0.10 0.00 0.35 0.00 0.00 39.48 37.52 2jov n PHE 6 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2jov s THR 7 N 1.77 -0.01 0.24 -2.13 -1.32 -1.26 -0.38 115.64 112.56 2jov s THR 7 Ca 0.78 0.03 -0.14 0.00 -1.21 0.00 0.00 61.69 61.15 2jov s THR 7 Cb -0.51 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 2jov s THR 7 CO 0.35 0.01 0.51 -0.44 -2.21 0.00 0.00 174.62 172.84 2jov s SER 8 N 0.81 -0.13 -0.22 8.08 0.01 -0.28 -4.98 113.70 116.98 2jov s SER 8 Ca -0.04 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.35 2jov s SER 8 Cb -0.05 0.60 0.01 0.00 0.21 0.00 0.00 66.02 66.78 2jov s SER 8 CO -0.06 -1.15 -0.08 -0.69 0.41 0.00 0.00 173.24 171.67 2jov s VAL 9 N -3.99 2.99 0.45 3.43 1.01 -1.26 0.11 120.40 123.15 2jov s VAL 9 Ca 0.19 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.50 2jov s VAL 9 Cb -0.01 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2jov s VAL 9 CO 0.07 0.38 0.09 0.68 0.00 0.00 0.00 175.10 176.32 2jov s VAL 10 N 1.40 1.78 0.01 2.92 -7.23 0.12 -4.86 120.40 114.54 2jov s VAL 10 Ca 0.04 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 2jov s VAL 10 Cb -0.15 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.09 2jov s VAL 10 CO -0.05 0.00 1.29 -0.13 -0.31 0.00 0.00 175.10 175.90 2jov s ARG 11 N -3.86 4.34 -0.18 4.82 1.81 -1.26 -0.38 118.95 124.24 2jov s ARG 11 Ca 0.27 1.84 -0.07 0.00 -1.72 0.00 0.00 55.73 56.05 2jov s ARG 11 Cb 0.05 -3.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.02 2jov s ARG 11 CO 0.15 -0.45 0.05 0.54 -0.68 0.00 0.00 175.30 174.90 2jov s VAL 12 N 1.94 4.60 -0.06 3.52 0.11 -1.20 -3.78 120.40 125.53 2jov s VAL 12 Ca 0.60 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.53 2jov s VAL 12 Cb -0.29 -3.07 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 2jov s VAL 12 CO 0.26 0.46 0.06 -0.60 -3.33 0.00 0.00 175.10 171.94 2jov s ARG 13 N 0.47 3.09 0.00 1.54 3.52 0.86 -4.76 118.95 123.67 2jov s ARG 13 Ca 0.02 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.23 2jov s ARG 13 Cb -0.13 -2.89 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 2jov s ARG 13 CO 0.01 0.69 0.00 0.41 -0.81 0.00 0.00 175.30 175.60 2jov n GLY 14 N 1.70 2.90 3.53 8.12 0.00 -1.26 -2.82 105.19 117.36 2jov n GLY 14 Ca -0.17 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 0.00 6.25 0.19 1.61 0.01 -1.26 -4.93 113.70 115.56 2jov s SER 15 Ca 0.00 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 56.73 2jov s SER 15 Cb 0.00 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.76 2jov s SER 15 CO 0.00 -1.56 0.36 2.29 0.41 0.00 0.00 173.24 174.74 2jov n LYS 16 N 8.42 0.52 0.00 12.44 -0.00 -1.26 -4.74 118.16 133.54 2jov n LYS 16 Ca 0.02 -1.08 0.13 0.00 -0.00 0.00 0.00 58.31 57.39 2jov n LYS 16 Cb 0.48 1.31 0.36 0.00 -0.00 0.00 0.00 35.03 37.18 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 -0.25 1.71 -4.45 -1.58 4.76 -0.82 -4.90 118.16 112.62 2jov n LYS 17 Ca -0.04 -1.16 -0.33 0.00 -2.87 0.00 0.00 58.31 53.91 2jov n LYS 17 Cb 0.28 -1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 31.89 2jov n LYS 17 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2jov s TYR 18 N -2.09 2.95 -0.72 2.13 2.02 -1.26 -4.98 117.35 115.39 2jov s TYR 18 Ca 0.33 0.01 0.16 0.00 -0.37 0.00 0.00 57.07 57.19 2jov s TYR 18 Cb 0.20 -1.65 -0.18 0.00 -0.40 0.00 0.00 41.96 39.93 2jov s TYR 18 CO 0.36 0.39 0.67 -1.71 -1.57 0.00 0.00 175.55 173.69 2jov n ASN 19 N 1.69 0.79 -3.91 2.29 2.85 -1.26 -4.84 115.26 112.86 2jov n ASN 19 Ca -0.16 -0.83 -0.10 0.00 -0.11 0.00 0.00 54.58 53.38 2jov n ASN 19 Cb 0.53 1.05 -0.11 0.00 1.24 0.00 0.00 39.78 42.48 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2jov s VAL 20 N -2.57 0.08 -0.06 3.44 -7.23 -1.26 -3.26 120.40 109.54 2jov s VAL 20 Ca 0.05 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 2jov s VAL 20 Cb 0.12 -0.31 0.02 0.00 0.56 0.00 0.00 36.38 36.77 2jov s VAL 20 CO 0.67 -0.37 -0.03 0.54 -0.31 0.00 0.00 175.10 175.60 2jov s VAL 21 N -1.19 0.51 -0.36 1.32 0.11 0.49 -4.80 120.40 116.48 2jov s VAL 21 Ca -0.13 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.58 2jov s VAL 21 Cb -0.08 -0.58 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 2jov s VAL 21 CO 0.00 0.25 1.23 -2.84 -3.33 0.00 0.00 175.10 170.41 2jov s PRO 22 N 1.31 3.85 0.27 1.54 0.02 -1.26 -0.70 135.00 140.02 2jov s PRO 22 Ca -0.05 1.01 0.07 0.00 0.02 0.00 0.00 61.00 62.04 2jov s PRO 22 Cb -0.14 -3.88 -0.03 0.00 0.02 0.00 0.00 34.50 30.47 2jov s PRO 22 CO -0.02 -1.20 0.25 0.14 -0.33 0.00 0.00 177.00 175.83 2jov s VAL 23 N 4.41 4.40 0.36 3.83 -7.23 0.12 -2.73 120.40 123.56 2jov s VAL 23 Ca 0.53 -1.32 -0.08 0.00 -1.81 0.00 0.00 61.98 59.29 2jov s VAL 23 Cb -0.13 -3.43 0.03 0.00 0.56 0.00 0.00 36.38 33.40 2jov s VAL 23 CO 0.25 -0.31 0.61 -1.59 -0.31 0.00 0.00 175.10 173.75 2jov s LYS 24 N -3.90 2.06 0.05 4.82 -2.85 0.12 -1.13 119.74 118.90 2jov s LYS 24 Ca 0.35 -1.63 0.04 0.00 -1.00 0.00 0.00 55.97 53.73 2jov s LYS 24 Cb -0.08 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 2jov s LYS 24 CO 0.26 -0.91 -0.02 -1.12 0.10 0.00 0.00 175.35 173.66 2jov s SER 25 N -3.17 4.92 0.00 0.03 0.01 0.49 -0.20 113.70 115.79 2jov s SER 25 Ca 0.24 -0.14 0.26 0.00 1.31 0.00 0.00 55.95 57.63 2jov s SER 25 Cb -0.03 -1.19 0.76 0.00 0.21 0.00 0.00 66.02 65.77 2jov s SER 25 CO 0.17 0.23 1.57 -0.46 0.41 0.00 0.00 173.24 175.15 2jov n ASN 26 N 1.03 1.26 -4.02 2.44 0.23 -1.22 -4.73 115.26 110.24 2jov n ASN 26 Ca -0.13 -1.10 -0.25 0.00 -0.53 0.00 0.00 54.58 52.57 2jov n ASN 26 Cb 0.52 0.12 -0.17 0.00 -2.08 0.00 0.00 39.78 38.18 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 -2.37 1.70 0.23 -3.83 2.20 -1.26 -5.05 119.74 111.35 2jov s LYS 27 Ca 0.27 -0.41 -0.32 0.00 -0.36 0.00 0.00 55.97 55.15 2jov s LYS 27 Cb 0.20 -1.41 -0.13 0.00 -1.51 0.00 0.00 37.83 34.98 2jov s LYS 27 CO 0.48 0.02 1.61 -2.30 -0.36 0.00 0.00 175.35 174.79 2jov n PRO 28 N 3.83 2.51 -4.21 4.03 -0.02 -1.26 -4.66 135.00 135.21 2jov n PRO 28 Ca -0.23 0.90 -0.28 0.00 -2.02 0.00 0.00 63.50 61.87 2jov n PRO 28 Cb 0.52 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 2jov n PRO 28 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2jov n VAL 29 N 2.99 0.00 -3.70 -1.45 0.24 -0.36 -4.94 118.33 111.11 2jov n VAL 29 Ca 0.13 -2.11 -0.37 0.00 -2.04 0.00 0.00 64.34 59.96 2jov n VAL 29 Cb 0.34 0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 32.95 2jov n VAL 29 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2jov s GLU 30 N -3.73 3.89 0.45 7.34 -6.30 -1.26 -2.70 118.70 116.39 2jov s GLU 30 Ca 0.06 -0.01 0.26 0.00 -2.50 0.00 0.00 54.97 52.79 2jov s GLU 30 Cb -0.01 -3.31 0.68 0.00 0.00 0.00 0.00 34.13 31.50 2jov s GLU 30 CO 0.04 0.52 1.73 -0.84 0.02 0.00 0.00 175.26 176.73 2jov h ILE 31 N 4.27 0.00 0.00 -3.70 3.07 -1.90 -2.62 117.51 116.63 2jov h ILE 31 Ca -0.48 -0.81 0.00 0.00 1.55 0.00 0.00 64.86 65.12 2jov h ILE 31 Cb 1.19 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 39.54 2jov h ILE 31 CO 0.67 0.00 0.00 -1.28 -1.05 0.00 0.00 178.15 176.49 2jov h SER 32 N 0.00 0.00 -0.06 2.16 0.87 -1.95 -2.21 113.55 112.36 2jov h SER 32 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jov h SER 32 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2jov h SER 32 CO 0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 2jov n LYS 33 N -2.55 1.95 -0.28 2.24 5.02 -0.99 -4.28 118.16 119.28 2jov n LYS 33 Ca 0.02 -1.39 0.04 0.00 -2.02 0.00 0.00 58.31 54.96 2jov n LYS 33 Cb 0.30 -1.47 0.18 0.00 -0.02 0.00 0.00 35.03 34.03 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 3.27 0.75 -0.48 2.13 7.01 -1.49 -1.59 115.95 125.56 2jov h TRP 34 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2jov h TRP 34 Cb 0.70 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.52 2jov h TRP 34 CO 0.03 0.25 0.30 0.82 -2.79 0.00 0.00 178.44 177.05 2jov h ILE 35 N 0.67 1.14 -0.34 2.65 2.04 -1.80 -0.64 117.51 121.24 2jov h ILE 35 Ca 0.41 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 2jov h ILE 35 Cb 0.48 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2jov h ILE 35 CO -0.30 0.14 -0.08 -0.78 0.00 0.00 0.00 178.15 177.13 2jov h ASP 36 N 0.65 0.66 -0.59 1.72 3.58 -1.62 -1.58 116.42 119.24 2jov h ASP 36 Ca 0.18 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2jov h ASP 36 Cb -0.03 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 2jov h ASP 36 CO -0.03 0.87 0.33 -0.26 -2.88 0.00 0.00 179.24 177.26 2jov h PHE 37 N 0.44 0.80 -0.54 0.28 0.04 -1.20 -2.52 116.94 114.24 2jov h PHE 37 Ca 0.08 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 2jov h PHE 37 Cb 0.59 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 2jov h PHE 37 CO 0.05 0.58 0.19 0.77 -0.60 0.00 0.00 178.31 179.29 2jov h SER 38 N 0.79 0.73 -0.18 2.17 0.02 -0.84 -0.27 113.55 115.97 2jov h SER 38 Ca 0.21 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 2jov h SER 38 Cb 0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2jov h SER 38 CO -0.03 0.68 -0.22 0.78 -1.14 0.00 0.00 176.83 176.89 2jov h ASN 39 N 0.78 0.63 -0.51 3.07 2.35 -1.05 -0.21 115.58 120.63 2jov h ASN 39 Ca 0.18 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 2jov h ASN 39 Cb 0.20 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2jov h ASN 39 CO -0.01 0.84 -0.08 0.58 -1.65 0.00 0.00 177.43 177.11 2jov h VAL 40 N 0.55 1.27 -0.78 2.81 2.07 -0.94 -2.99 116.25 118.24 2jov h VAL 40 Ca 0.08 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2jov h VAL 40 Cb 0.68 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2jov h VAL 40 CO 0.05 0.42 0.35 -0.07 0.02 0.00 0.00 177.57 178.35 2jov h LEU 41 N 0.81 1.02 -0.52 2.57 3.38 -0.66 -1.78 115.31 120.13 2jov h LEU 41 Ca 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jov h LEU 41 Cb 0.63 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jov h LEU 41 CO 0.04 0.88 0.00 -0.24 0.09 0.00 0.00 178.44 179.21 2jov n SER 42 N -4.31 0.40 -0.06 -0.43 2.88 -0.13 -0.63 113.62 111.35 2jov n SER 42 Ca 0.07 0.61 0.11 0.00 -1.33 0.00 0.00 58.87 58.34 2jov n SER 42 Cb 0.15 -0.69 0.08 0.00 -0.75 0.00 0.00 64.21 63.00 2jov n SER 42 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jov n ARG 43 N -1.96 0.17 -4.78 -1.46 0.63 -0.69 -4.90 116.66 103.67 2jov n ARG 43 Ca 0.02 -0.12 -0.33 0.00 -0.92 0.00 0.00 57.85 56.50 2jov n ARG 43 Cb 0.17 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.45 2jov n ARG 43 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jov s LEU 44 N -2.92 2.77 -0.44 6.15 1.43 0.20 -5.08 118.68 120.80 2jov s LEU 44 Ca 0.11 -0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 52.85 2jov s LEU 44 Cb 0.17 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.88 2jov s LEU 44 CO 0.75 0.22 0.29 -0.31 0.23 0.00 0.00 176.35 177.53 2jov s TYR 45 N 0.04 3.38 0.22 0.29 1.51 -1.26 -4.81 117.35 116.71 2jov s TYR 45 Ca -0.04 -1.69 0.03 0.00 -1.01 0.00 0.00 57.07 54.35 2jov s TYR 45 Cb -0.14 -3.17 -0.03 0.00 -0.11 0.00 0.00 41.96 38.50 2jov s TYR 45 CO 0.04 -0.91 0.37 0.14 -1.11 0.00 0.00 175.55 174.08 2jov s VAL 46 N 1.39 5.25 -1.56 0.71 -7.23 -1.25 -4.74 120.40 112.97 2jov s VAL 46 Ca 0.04 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 2jov s VAL 46 Cb -0.24 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 32.89 2jov s VAL 46 CO 0.01 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 2jov n GLY 47 N -1.12 -0.72 0.88 2.32 0.00 -1.25 -0.09 105.19 105.20 2jov n GLY 47 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 2.81 -4.31 -1.33 1.61 0.31 -1.13 -4.82 118.33 111.47 2jov n VAL 48 Ca 0.00 1.16 -0.58 0.00 -0.01 0.00 0.00 64.34 64.91 2jov n VAL 48 Cb 0.00 -2.52 -0.11 0.00 -0.91 0.00 0.00 33.84 30.30 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 0.23 0.30 -4.20 5.55 -0.02 -1.26 -4.85 135.00 130.74 2jov n PRO 49 Ca 0.00 0.08 -0.12 0.00 -2.02 0.00 0.00 63.50 61.44 2jov n PRO 49 Cb 0.00 -1.75 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 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 6.13 0.05 0.56 3.45 -4.23 -1.25 -4.92 115.64 115.43 2jov s THR 50 Ca 1.16 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.72 2jov s THR 50 Cb -1.33 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 70.11 2jov s THR 50 CO 0.63 -0.05 0.78 -1.59 -0.54 0.00 0.00 174.62 173.84 2jov s LYS 51 N -4.14 2.36 -0.08 3.99 -2.85 -1.26 -1.51 119.74 116.25 2jov s LYS 51 Ca 0.37 -1.15 -0.30 0.00 -1.00 0.00 0.00 55.97 53.90 2jov s LYS 51 Cb 0.07 -2.55 -0.05 0.00 -2.06 0.00 0.00 37.83 33.25 2jov s LYS 51 CO 0.11 -0.81 1.58 -1.54 0.10 0.00 0.00 175.35 174.79 2jov s SER 52 N -4.53 6.71 0.00 0.03 1.04 -1.26 -2.88 113.70 112.81 2jov s SER 52 Ca 0.60 2.12 0.00 0.00 0.48 0.00 0.00 55.95 59.14 2jov s SER 52 Cb -0.08 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2jov s SER 52 CO 0.39 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2jov n GLY 53 N 4.05 1.95 3.73 7.32 0.00 0.12 -4.93 105.19 117.44 2jov n GLY 53 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 6.88 -0.11 1.61 2.20 -0.96 -4.84 114.94 117.73 2jov s ASN 54 Ca 0.00 1.05 -0.24 0.00 -0.94 0.00 0.00 52.86 52.73 2jov s ASN 54 Cb 0.00 -2.35 -0.03 0.00 -2.00 0.00 0.00 41.25 36.87 2jov s ASN 54 CO 0.00 -0.00 0.75 -0.69 -2.94 0.00 0.00 177.10 174.22 2jov s VAL 55 N 0.41 4.98 0.00 3.54 1.01 -1.26 -0.65 120.40 128.43 2jov s VAL 55 Ca 0.32 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.81 2jov s VAL 55 Cb -0.17 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2jov s VAL 55 CO 0.15 0.16 0.00 0.52 0.00 0.00 0.00 175.10 175.93 2jov n VAL 56 N 4.18 0.00 -3.86 2.92 0.31 0.89 -4.91 118.33 117.86 2jov n VAL 56 Ca 0.01 0.21 -0.34 0.00 -0.01 0.00 0.00 64.34 64.21 2jov n VAL 56 Cb 0.50 -1.05 -0.13 0.00 -0.91 0.00 0.00 33.84 32.26 2jov n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jov s LYS 58 N 0.90 4.49 -1.09 0.00 2.20 -1.26 -2.99 119.74 121.99 2jov s LYS 58 Ca 0.10 1.49 -0.06 0.00 -0.36 0.00 0.00 55.97 57.14 2jov s LYS 58 Cb -0.22 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2jov s LYS 58 CO -0.05 -0.19 0.94 -1.71 -0.36 0.00 0.00 175.35 173.99 2jov n ASN 59 N 4.31 -4.94 -0.07 1.43 2.85 -0.53 -4.92 115.26 113.39 2jov n ASN 59 Ca 0.08 -0.45 -0.07 0.00 -0.11 0.00 0.00 54.58 54.03 2jov n ASN 59 Cb 0.49 -4.23 -0.01 0.00 1.24 0.00 0.00 39.78 37.28 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 -2.10 0.62 -0.32 -1.44 2.10 -1.65 -2.03 117.51 112.69 2jov h ILE 60 Ca -0.47 0.00 -0.18 0.00 1.08 0.00 0.00 64.86 65.29 2jov h ILE 60 Cb 1.30 0.62 -0.11 0.00 -1.09 0.00 0.00 36.82 37.53 2jov h ILE 60 CO 0.45 0.00 -0.20 0.23 -1.08 0.00 0.00 178.15 177.55 2jov n MET 61 N -5.29 1.92 -1.82 2.19 2.81 -1.26 -4.89 117.12 110.77 2jov n MET 61 Ca -0.00 -3.29 -0.17 0.00 -1.81 0.00 0.00 57.70 52.42 2jov n MET 61 Cb 0.21 -1.82 -0.05 0.00 -0.71 0.00 0.00 33.22 30.85 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 -1.09 -5.11 0.13 7.83 4.13 -0.76 -4.87 115.26 115.51 2jov n ASN 62 Ca 0.32 0.26 0.10 0.00 1.68 0.00 0.00 54.58 56.93 2jov n ASN 62 Cb 0.95 -4.16 0.03 0.00 -1.54 0.00 0.00 39.78 35.06 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 0.00 0.12 0.00 3.41 1.35 -1.91 -3.47 112.91 112.41 2jov h THR 63 Ca -0.38 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 2jov h THR 63 Cb 1.20 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 2jov h THR 63 CO 0.51 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 2jov n GLY 64 N 1.19 0.77 3.72 5.82 0.00 -1.26 -5.04 105.19 110.39 2jov n GLY 64 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.79 5.13 -0.46 1.61 1.01 -1.26 -4.78 120.40 118.85 2jov s VAL 65 Ca 0.00 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.92 2jov s VAL 65 Cb 0.00 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.53 2jov s VAL 65 CO 0.00 0.31 0.51 -1.81 0.00 0.00 0.00 175.10 174.11 2jov s ASP 66 N 0.60 6.21 -0.17 3.32 1.11 -1.26 -1.46 116.67 125.03 2jov s ASP 66 Ca 0.30 -0.81 -0.29 0.00 0.18 0.00 0.00 52.55 51.93 2jov s ASP 66 Cb -0.16 -2.25 -0.01 0.00 1.07 0.00 0.00 42.92 41.57 2jov s ASP 66 CO 0.13 -0.71 1.23 -0.63 1.18 0.00 0.00 175.17 176.37 2jov s ILE 67 N 2.29 4.33 -0.03 0.77 -1.09 -1.16 -3.43 121.20 122.89 2jov s ILE 67 Ca 0.13 1.62 0.05 0.00 -2.23 0.00 0.00 60.65 60.21 2jov s ILE 67 Cb -0.18 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 2jov s ILE 67 CO 0.13 -0.13 -0.17 0.27 -1.23 0.00 0.00 174.94 173.80 2jov s ILE 68 N 3.36 1.39 -0.01 2.92 -4.36 0.72 -0.08 121.20 125.14 2jov s ILE 68 Ca 0.53 -0.72 -0.23 0.00 -0.26 0.00 0.00 60.65 59.97 2jov s ILE 68 Cb -0.21 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.28 2jov s ILE 68 CO 0.14 0.40 0.69 0.00 0.24 0.00 0.00 174.94 176.40 2jov n THR 70 N 3.16 0.64 -3.63 0.00 5.66 -1.11 0.16 114.28 119.17 2jov n THR 70 Ca -0.03 -0.82 -0.37 0.00 -3.05 0.00 0.00 64.05 59.78 2jov n THR 70 Cb 0.51 0.84 -0.07 0.00 -1.55 0.00 0.00 70.33 70.06 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 -1.28 3.98 -0.12 1.09 2.47 -1.25 -4.48 119.74 120.15 2jov s LYS 71 Ca 0.37 0.09 -0.23 0.00 -1.56 0.00 0.00 55.97 54.64 2jov s LYS 71 Cb 0.21 -3.32 -0.03 0.00 -1.46 0.00 0.00 37.83 33.23 2jov s LYS 71 CO 0.29 0.47 0.71 -0.80 0.16 0.00 0.00 175.35 176.19 2jov s ASN 72 N -0.24 6.91 -0.44 1.43 0.02 -1.26 -4.31 114.94 117.04 2jov s ASN 72 Ca 0.17 1.10 -0.18 0.00 -1.02 0.00 0.00 52.86 52.93 2jov s ASN 72 Cb -0.13 -2.41 0.03 0.00 0.02 0.00 0.00 41.25 38.76 2jov s ASN 72 CO 0.06 -0.22 0.51 -0.76 0.02 0.00 0.00 177.10 176.71 2jov s LEU 73 N 1.38 4.83 0.06 0.60 1.02 -0.57 -4.95 118.68 121.05 2jov s LEU 73 Ca 0.36 -0.66 -0.20 0.00 0.02 0.00 0.00 54.13 53.64 2jov s LEU 73 Cb -0.17 -2.47 -0.06 0.00 0.02 0.00 0.00 46.19 43.51 2jov s LEU 73 CO 0.15 -0.68 0.59 -2.16 0.02 0.00 0.00 176.35 174.27 2jov s PRO 74 N 2.35 4.25 0.22 1.29 0.04 -1.26 -3.96 135.00 137.93 2jov s PRO 74 Ca 0.15 0.77 0.11 0.00 0.04 0.00 0.00 61.00 62.06 2jov s PRO 74 Cb -0.17 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2jov s PRO 74 CO 0.14 0.57 -0.16 0.21 0.04 0.00 0.00 177.00 177.79 2jov s LYS 75 N -0.88 1.79 -0.35 4.56 2.20 -1.26 -1.95 119.74 123.86 2jov s LYS 75 Ca 0.30 -1.50 -0.31 0.00 -0.36 0.00 0.00 55.97 54.10 2jov s LYS 75 Cb -0.19 -1.95 -0.09 0.00 -1.51 0.00 0.00 37.83 34.09 2jov s LYS 75 CO 0.19 0.39 2.26 -0.25 -0.36 0.00 0.00 175.35 177.58 2jov n ASP 76 N -0.13 2.52 -3.80 1.43 9.92 -1.26 -4.90 116.55 120.32 2jov n ASP 76 Ca -0.10 0.18 -0.30 0.00 -0.53 0.00 0.00 54.79 54.05 2jov n ASP 76 Cb 0.57 -1.41 -0.14 0.00 -0.64 0.00 0.00 41.12 39.50 2jov n ASP 76 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2jov s SER 77 N 8.51 4.06 0.06 -2.24 0.01 -1.26 -5.01 113.70 117.83 2jov s SER 77 Ca 1.06 -2.23 0.00 0.00 1.31 0.00 0.00 55.95 56.09 2jov s SER 77 Cb -0.57 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 64.51 2jov s SER 77 CO 0.40 -0.34 0.00 -0.11 0.41 0.00 0.00 173.24 173.61 2jov n LEU 78 N 4.09 -5.38 -2.85 2.44 7.94 -1.26 -4.74 117.00 117.24 2jov n LEU 78 Ca 0.04 2.24 -0.25 0.00 -1.11 0.00 0.00 56.01 56.93 2jov n LEU 78 Cb 0.38 -2.67 -0.06 0.00 0.53 0.00 0.00 43.42 41.59 2jov n LEU 78 CO 0.20 -1.96 2.46 -0.62 -1.11 0.00 0.00 177.39 176.37 2jov n GLU 79 N 1.39 2.58 -0.03 1.96 -0.58 -1.26 -3.59 120.64 121.12 2jov n GLU 79 Ca 0.00 -1.54 -0.05 0.00 -0.42 0.00 0.00 57.16 55.16 2jov n GLU 79 Cb 0.00 -2.40 -0.03 0.00 -0.57 0.00 0.00 31.44 28.44 2jov n GLU 79 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2jov n HIS 80 N 3.40 0.00 -1.06 -0.32 -0.00 -1.26 -5.14 115.22 110.83 2jov n HIS 80 Ca 0.55 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.87 2jov n HIS 80 Cb 0.39 -0.23 -0.06 0.00 -0.12 0.00 0.00 29.99 29.97 2jov n HIS 80 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jov n HIS 81 N -2.77 -2.79 -3.28 1.57 8.25 -1.24 -4.96 115.22 110.00 2jov n HIS 81 Ca -0.11 1.49 -0.07 0.00 -0.26 0.00 0.00 57.72 58.76 2jov n HIS 81 Cb 0.61 -2.54 -0.05 0.00 1.12 0.00 0.00 29.99 29.13 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 -3.18 -1.12 -0.25 4.41 -3.43 -1.26 -5.13 115.29 105.33 2jov s HIS 82 Ca 0.00 0.40 0.02 0.00 -0.80 0.00 0.00 55.06 54.68 2jov s HIS 82 Cb 0.00 -0.09 0.06 0.00 -1.43 0.00 0.00 32.58 31.11 2jov s HIS 82 CO 0.00 -1.00 -0.10 -1.58 -2.00 0.00 0.00 174.74 170.05 2jov s HIS 83 N 2.55 3.08 -0.41 0.38 5.04 -1.26 -5.05 115.29 119.62 2jov s HIS 83 Ca 0.10 -2.19 0.02 0.00 -1.54 0.00 0.00 55.06 51.44 2jov s HIS 83 Cb -0.12 -1.86 0.14 0.00 0.04 0.00 0.00 32.58 30.78 2jov s HIS 83 CO -0.29 -0.86 0.24 -1.58 -2.34 0.00 0.00 174.74 169.92 2jov s HIS 84 N 1.17 1.49 0.00 3.88 2.46 -1.26 -5.34 115.29 117.69 2jov s HIS 84 Ca -0.08 -2.15 0.00 0.00 0.47 0.00 0.00 55.06 53.31 2jov s HIS 84 Cb -0.20 -1.48 0.00 0.00 -0.13 0.00 0.00 32.58 30.78 2jov s HIS 84 CO -0.05 -0.80 0.00 1.58 -2.47 0.00 0.00 174.74 173.00