#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 -2.66 -4.87 1.12 -0.00 -1.26 -5.13 115.22 102.42 2jov n HIS 2 Ca 0.00 0.50 -0.26 0.00 -0.00 0.00 0.00 57.72 57.96 2jov n HIS 2 Cb 0.00 1.49 -0.15 0.00 -0.00 0.00 0.00 29.99 31.33 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 -1.37 1.56 0.03 -0.41 1.02 -1.26 -3.25 119.74 116.05 2jov s LYS 3 Ca 0.00 -0.80 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 2jov s LYS 3 Cb 0.00 -1.57 -0.02 0.00 -0.52 0.00 0.00 37.83 35.72 2jov s LYS 3 CO 0.00 0.42 -0.01 0.34 -0.92 0.00 0.00 175.35 175.18 2jov s ASP 4 N -0.73 0.31 -0.18 2.83 2.15 0.17 -4.75 116.67 116.47 2jov s ASP 4 Ca 0.08 -0.66 -0.29 0.00 0.43 0.00 0.00 52.55 52.11 2jov s ASP 4 Cb -0.08 0.15 -0.04 0.00 -0.30 0.00 0.00 42.92 42.65 2jov s ASP 4 CO 0.00 -0.43 1.87 -0.63 -0.17 0.00 0.00 175.17 175.81 2jov s ILE 5 N -2.41 3.35 0.25 4.11 -1.09 -1.26 -0.14 121.20 124.01 2jov s ILE 5 Ca -0.07 0.39 -0.29 0.00 -2.23 0.00 0.00 60.65 58.45 2jov s ILE 5 Cb -0.03 -3.37 -0.09 0.00 -1.58 0.00 0.00 42.46 37.39 2jov s ILE 5 CO -0.04 -0.17 0.94 0.12 -1.23 0.00 0.00 174.94 174.56 2jov s PHE 6 N 6.03 3.94 -0.16 3.97 5.36 -1.26 -4.92 117.98 130.93 2jov s PHE 6 Ca 0.84 1.90 -0.10 0.00 -0.96 0.00 0.00 56.93 58.60 2jov s PHE 6 Cb -0.31 -2.97 0.05 0.00 -0.34 0.00 0.00 43.02 39.45 2jov s PHE 6 CO 0.34 0.41 0.39 0.99 -1.46 0.00 0.00 175.22 175.89 2jov s THR 7 N -1.25 -0.02 0.10 0.12 2.01 -1.26 -1.30 115.64 114.05 2jov s THR 7 Ca 0.42 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 2jov s THR 7 Cb -0.25 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.69 2jov s THR 7 CO 0.31 0.03 0.16 -0.24 -0.69 0.00 0.00 174.62 174.18 2jov n SER 8 N 3.78 -0.44 -4.18 3.53 2.88 -0.10 -4.99 113.62 114.10 2jov n SER 8 Ca -0.20 -1.54 -0.26 0.00 -1.33 0.00 0.00 58.87 55.53 2jov n SER 8 Cb 0.56 0.80 -0.16 0.00 -0.75 0.00 0.00 64.21 64.66 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 -2.57 1.51 0.12 2.46 -7.23 -1.26 0.22 120.40 113.66 2jov s VAL 9 Ca 0.08 -0.80 0.10 0.00 -1.81 0.00 0.00 61.98 59.56 2jov s VAL 9 Cb -0.00 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 2jov s VAL 9 CO 0.06 0.43 -0.25 0.54 -0.31 0.00 0.00 175.10 175.57 2jov s VAL 10 N -0.27 2.39 -0.31 1.32 0.11 -0.35 -4.94 120.40 118.35 2jov s VAL 10 Ca 0.03 -1.68 -0.27 0.00 -2.93 0.00 0.00 61.98 57.14 2jov s VAL 10 Cb -0.09 -2.06 0.01 0.00 -1.53 0.00 0.00 36.38 32.71 2jov s VAL 10 CO 0.00 0.11 0.95 -0.13 -3.33 0.00 0.00 175.10 172.70 2jov s ARG 11 N -2.03 4.02 0.05 1.54 0.52 -1.26 -1.34 118.95 120.44 2jov s ARG 11 Ca 0.15 0.86 -0.21 0.00 -0.52 0.00 0.00 55.73 56.01 2jov s ARG 11 Cb -0.10 -3.73 -0.06 0.00 0.52 0.00 0.00 34.95 31.57 2jov s ARG 11 CO 0.07 -0.80 0.61 0.08 0.02 0.00 0.00 175.30 175.27 2jov s VAL 12 N 3.34 4.78 0.09 3.52 1.01 0.13 -4.34 120.40 128.93 2jov s VAL 12 Ca 0.40 1.30 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 2jov s VAL 12 Cb -0.13 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2jov s VAL 12 CO 0.14 0.48 0.27 -0.60 0.00 0.00 0.00 175.10 175.39 2jov s ARG 13 N -0.66 3.50 0.00 2.72 3.52 0.68 -4.71 118.95 124.00 2jov s ARG 13 Ca 0.31 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 2jov s ARG 13 Cb -0.19 -2.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 2jov s ARG 13 CO 0.19 0.56 0.00 0.41 -0.81 0.00 0.00 175.30 175.65 2jov n GLY 14 N 0.18 2.64 1.64 8.12 0.00 -1.26 -3.98 105.19 112.53 2jov n GLY 14 Ca -0.04 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 2jov n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jov n SER 15 N 0.00 3.57 -4.36 1.61 3.41 -1.26 -4.93 113.62 111.66 2jov n SER 15 Ca 0.00 -2.86 -0.29 0.00 -0.26 0.00 0.00 58.87 55.46 2jov n SER 15 Cb 0.00 -0.68 0.20 0.00 -0.26 0.00 0.00 64.21 63.47 2jov n SER 15 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2jov s LYS 16 N -2.01 -0.11 -0.12 4.33 0.00 -1.26 -4.66 119.74 115.91 2jov s LYS 16 Ca 0.34 0.22 0.02 0.00 0.00 0.00 0.00 55.97 56.56 2jov s LYS 16 Cb 0.28 -1.70 0.23 0.00 0.00 0.00 0.00 37.83 36.63 2jov s LYS 16 CO 0.07 -3.03 1.14 1.63 0.00 0.00 0.00 175.35 175.17 2jov n LYS 17 N -4.33 1.69 -4.09 1.78 5.02 -1.17 -4.81 118.16 112.26 2jov n LYS 17 Ca 0.08 -0.95 -0.17 0.00 -2.02 0.00 0.00 58.31 55.26 2jov n LYS 17 Cb 0.58 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 2jov n LYS 17 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jov n TYR 18 N 0.07 -1.20 0.00 2.13 4.01 -1.26 -4.87 117.16 116.03 2jov n TYR 18 Ca 0.15 -2.54 0.00 0.00 -0.16 0.00 0.00 57.90 55.35 2jov n TYR 18 Cb 0.75 0.45 0.00 0.00 -0.31 0.00 0.00 39.34 40.23 2jov n TYR 18 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2jov n ASN 19 N -1.65 1.97 -4.08 7.72 6.94 -1.26 -4.97 115.26 119.93 2jov n ASN 19 Ca 0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.45 2jov n ASN 19 Cb 0.60 0.12 -0.12 0.00 -2.36 0.00 0.00 39.78 38.01 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2jov s VAL 20 N -1.43 0.67 -0.05 3.53 -7.23 -1.26 0.18 120.40 114.80 2jov s VAL 20 Ca 0.00 -1.08 0.04 0.00 -1.81 0.00 0.00 61.98 59.13 2jov s VAL 20 Cb 0.00 -0.70 0.00 0.00 0.56 0.00 0.00 36.38 36.24 2jov s VAL 20 CO 0.00 -0.31 -0.17 0.54 -0.31 0.00 0.00 175.10 174.85 2jov s VAL 21 N -1.28 1.46 -0.12 1.32 0.11 -0.45 -4.88 120.40 116.57 2jov s VAL 21 Ca -0.07 -0.71 -0.29 0.00 -2.93 0.00 0.00 61.98 57.97 2jov s VAL 21 Cb -0.10 -1.27 -0.03 0.00 -1.53 0.00 0.00 36.38 33.46 2jov s VAL 21 CO 0.01 0.42 1.37 -2.16 -3.33 0.00 0.00 175.10 171.41 2jov s PRO 22 N 0.20 4.23 -0.08 1.54 0.04 -1.26 -1.21 135.00 138.46 2jov s PRO 22 Ca -0.08 1.83 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 2jov s PRO 22 Cb -0.13 -3.79 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2jov s PRO 22 CO 0.03 -0.72 -0.00 0.14 0.04 0.00 0.00 177.00 176.50 2jov s VAL 23 N 3.47 4.28 0.30 -0.36 -7.23 0.13 -2.80 120.40 118.20 2jov s VAL 23 Ca 0.60 -0.28 0.04 0.00 -1.81 0.00 0.00 61.98 60.53 2jov s VAL 23 Cb -0.26 -2.81 -0.06 0.00 0.56 0.00 0.00 36.38 33.82 2jov s VAL 23 CO 0.20 0.59 0.04 -1.59 -0.31 0.00 0.00 175.10 174.03 2jov s LYS 24 N -0.94 1.57 -0.15 4.82 -2.85 0.13 -0.92 119.74 121.39 2jov s LYS 24 Ca 0.14 -1.85 -0.03 0.00 -1.00 0.00 0.00 55.97 53.22 2jov s LYS 24 Cb -0.11 -0.78 -0.03 0.00 -2.06 0.00 0.00 37.83 34.84 2jov s LYS 24 CO 0.03 -0.17 -0.04 -1.12 0.10 0.00 0.00 175.35 174.16 2jov s SER 25 N -3.44 4.82 0.00 0.03 0.01 -0.42 -1.02 113.70 113.69 2jov s SER 25 Ca 0.35 -0.11 0.29 0.00 1.31 0.00 0.00 55.95 57.79 2jov s SER 25 Cb 0.08 -1.74 1.17 0.00 0.21 0.00 0.00 66.02 65.73 2jov s SER 25 CO 0.14 0.19 1.88 -0.46 0.41 0.00 0.00 173.24 175.40 2jov n ASN 26 N 3.40 0.05 -4.11 2.44 0.23 -1.15 -4.61 115.26 111.51 2jov n ASN 26 Ca -0.17 0.43 -0.19 0.00 -0.53 0.00 0.00 54.58 54.11 2jov n ASN 26 Cb 0.53 -0.43 -0.14 0.00 -2.08 0.00 0.00 39.78 37.66 2jov n ASN 26 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2jov s LYS 27 N -3.00 0.88 0.30 -3.83 1.02 -1.26 -5.04 119.74 108.81 2jov s LYS 27 Ca 0.14 -0.66 -0.29 0.00 0.02 0.00 0.00 55.97 55.18 2jov s LYS 27 Cb 0.19 -0.86 -0.13 0.00 -0.52 0.00 0.00 37.83 36.51 2jov s LYS 27 CO 0.55 0.22 1.31 -2.30 -0.92 0.00 0.00 175.35 174.20 2jov n PRO 28 N 2.11 2.02 -4.25 -1.68 -0.02 -1.26 -4.73 135.00 127.19 2jov n PRO 28 Ca -0.17 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 2jov n PRO 28 Cb 0.55 -2.30 -0.08 0.00 -0.02 0.00 0.00 33.50 31.64 2jov n PRO 28 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jov s VAL 29 N -0.71 4.40 0.31 -1.45 1.01 0.80 -4.74 120.40 120.03 2jov s VAL 29 Ca 0.60 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2jov s VAL 29 Cb -0.61 -2.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 2jov s VAL 29 CO 0.57 0.45 1.25 -0.70 0.00 0.00 0.00 175.10 176.67 2jov s GLU 30 N -1.38 4.43 0.00 2.72 -6.30 -1.26 -0.66 118.70 116.25 2jov s GLU 30 Ca 0.18 2.10 0.00 0.00 -2.50 0.00 0.00 54.97 54.76 2jov s GLU 30 Cb -0.12 -3.10 0.00 0.00 0.00 0.00 0.00 34.13 30.91 2jov s GLU 30 CO 0.09 -0.08 0.70 0.44 0.02 0.00 0.00 175.26 176.42 2jov n ILE 31 N 0.95 0.00 -0.30 -3.70 -5.35 -1.20 -1.16 119.36 108.60 2jov n ILE 31 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2jov n ILE 31 Cb 0.43 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 2jov n ILE 31 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2jov n SER 32 N -0.33 0.37 -0.00 7.28 3.41 -1.26 -4.77 113.62 118.32 2jov n SER 32 Ca 0.00 -0.76 0.11 0.00 -0.26 0.00 0.00 58.87 57.95 2jov n SER 32 Cb 0.06 0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 64.06 2jov n SER 32 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2jov n LYS 33 N -0.18 0.35 0.30 4.33 3.00 -0.31 -4.06 118.16 121.59 2jov n LYS 33 Ca 0.00 -0.10 0.18 0.00 -0.00 0.00 0.00 58.31 58.40 2jov n LYS 33 Cb 0.07 -1.52 0.90 0.00 0.00 0.00 0.00 35.03 34.49 2jov n LYS 33 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.40 177.51 2jov h TRP 34 N 0.00 0.00 -0.47 5.64 5.08 -1.84 -2.07 115.95 122.29 2jov h TRP 34 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 2jov h TRP 34 Cb 0.77 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.91 2jov h TRP 34 CO 0.00 0.03 0.20 0.82 -1.28 0.00 0.00 178.44 178.21 2jov h ILE 35 N 0.00 1.20 -0.04 0.12 2.04 -1.90 -0.12 117.51 118.81 2jov h ILE 35 Ca -0.00 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.28 2jov h ILE 35 Cb 0.28 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2jov h ILE 35 CO 0.00 0.23 -0.03 0.44 0.00 0.00 0.00 178.15 178.79 2jov h ASP 36 N 0.62 -0.09 -0.55 1.72 5.19 -1.63 -2.62 116.42 119.06 2jov h ASP 36 Ca 0.16 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.56 2jov h ASP 36 Cb 0.16 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 2jov h ASP 36 CO -0.02 -0.04 0.23 -0.26 -3.12 0.00 0.00 179.24 176.03 2jov h PHE 37 N -0.03 0.83 -0.58 4.55 0.04 -1.37 -1.79 116.94 118.60 2jov h PHE 37 Ca 0.03 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 2jov h PHE 37 Cb 0.07 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 2jov h PHE 37 CO -0.12 0.67 0.21 0.66 -0.60 0.00 0.00 178.31 179.13 2jov h SER 38 N 0.75 0.78 -0.25 2.17 4.64 -0.96 0.26 113.55 120.94 2jov h SER 38 Ca 0.19 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 2jov h SER 38 Cb 0.18 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 2jov h SER 38 CO -0.02 0.71 -0.16 0.78 -0.87 0.00 0.00 176.83 177.28 2jov h ASN 39 N 0.83 0.67 -0.28 4.97 2.35 -1.07 -1.66 115.58 121.39 2jov h ASN 39 Ca 0.20 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 2jov h ASN 39 Cb 0.19 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2jov h ASN 39 CO -0.01 0.84 -0.23 0.58 -1.65 0.00 0.00 177.43 176.96 2jov h VAL 40 N 0.61 1.30 0.00 2.81 2.07 -0.47 -3.00 116.25 119.57 2jov h VAL 40 Ca 0.10 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 2jov h VAL 40 Cb 0.61 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2jov h VAL 40 CO 0.04 0.44 -0.04 -0.07 0.02 0.00 0.00 177.57 177.96 2jov h LEU 41 N 0.39 0.00 -1.75 2.57 3.38 -0.26 -0.02 115.31 119.61 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 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2jov h LEU 41 CO 0.06 0.04 0.00 0.28 0.09 0.00 0.00 178.44 178.91 2jov h SER 42 N 0.00 0.00 -0.02 -0.43 0.02 -1.16 -1.48 113.55 110.49 2jov h SER 42 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jov h SER 42 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2jov h SER 42 CO 0.01 0.00 -0.16 0.54 -1.14 0.00 0.00 176.83 176.07 2jov n ARG 43 N -2.79 1.61 -1.34 3.45 5.12 -0.03 -4.74 116.66 117.94 2jov n ARG 43 Ca -0.00 -1.31 -0.26 0.00 -1.93 0.00 0.00 57.85 54.35 2jov n ARG 43 Cb 0.18 -1.35 -0.09 0.00 -1.16 0.00 0.00 32.46 30.04 2jov n ARG 43 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2jov n LEU 44 N 0.57 6.73 -4.29 0.55 7.94 -0.56 -4.80 117.00 123.15 2jov n LEU 44 Ca 0.10 -3.91 -0.41 0.00 -1.11 0.00 0.00 56.01 50.67 2jov n LEU 44 Cb 0.43 -1.40 -0.01 0.00 0.53 0.00 0.00 43.42 42.98 2jov n LEU 44 CO 0.17 1.84 2.13 -1.22 -1.11 0.00 0.00 177.39 179.20 2jov n TYR 45 N 2.22 3.98 -3.16 1.96 4.02 -1.26 -4.71 117.16 120.20 2jov n TYR 45 Ca 0.55 -2.67 -0.33 0.00 -0.01 0.00 0.00 57.90 55.45 2jov n TYR 45 Cb 0.58 -2.56 -0.06 0.00 -0.02 0.00 0.00 39.34 37.28 2jov n TYR 45 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2jov s VAL 46 N 4.74 4.69 -0.44 -0.72 -7.23 -1.26 -4.72 120.40 115.47 2jov s VAL 46 Ca 0.54 0.94 0.05 0.00 -1.81 0.00 0.00 61.98 61.70 2jov s VAL 46 Cb 0.07 -3.63 0.42 0.00 0.56 0.00 0.00 36.38 33.80 2jov s VAL 46 CO 0.04 -0.14 1.16 0.61 -0.31 0.00 0.00 175.10 176.47 2jov n GLY 47 N -0.24 6.03 2.84 2.32 0.00 -1.26 -0.23 105.19 114.65 2jov n GLY 47 Ca 0.03 -2.75 -0.27 0.00 0.00 0.00 0.00 46.02 43.03 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 -5.43 0.88 -0.42 1.61 1.01 -1.26 -4.84 120.40 111.96 2jov s VAL 48 Ca 0.49 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 2jov s VAL 48 Cb 0.40 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 2jov s VAL 48 CO -0.18 0.07 2.23 -2.84 0.00 0.00 0.00 175.10 174.38 2jov s PRO 49 N 1.73 2.56 0.56 2.72 0.02 -1.26 -4.96 135.00 136.37 2jov s PRO 49 Ca 0.01 1.48 0.04 0.00 0.02 0.00 0.00 61.00 62.55 2jov s PRO 49 Cb -0.15 -4.47 0.06 0.00 0.02 0.00 0.00 34.50 29.96 2jov s PRO 49 CO -0.07 -2.76 0.78 0.95 -0.33 0.00 0.00 177.00 175.57 2jov s THR 50 N 10.26 2.51 0.00 0.99 -4.23 -1.26 -4.75 115.64 119.17 2jov s THR 50 Ca 0.93 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 2jov s THR 50 Cb -0.21 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2jov s THR 50 CO 0.29 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.66 2jov n LYS 51 N -2.32 3.64 -3.92 3.99 4.76 -1.26 0.84 118.16 123.90 2jov n LYS 51 Ca 0.11 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.20 2jov n LYS 51 Cb 0.60 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.70 2jov n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jov s SER 52 N -1.00 5.87 0.00 4.39 0.15 -1.26 -3.42 113.70 118.43 2jov s SER 52 Ca 0.00 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2jov s SER 52 Cb 0.00 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2jov s SER 52 CO 0.00 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.25 2jov n GLY 53 N 3.35 1.12 3.57 9.45 0.00 0.79 -4.94 105.19 118.53 2jov n GLY 53 Ca -0.17 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 2jov n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jov s ASN 54 N -2.43 6.52 -0.49 1.61 0.01 -0.97 -4.87 114.94 114.31 2jov s ASN 54 Ca 0.00 0.22 -0.28 0.00 -0.71 0.00 0.00 52.86 52.09 2jov s ASN 54 Cb 0.00 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.25 2jov s ASN 54 CO 0.00 -0.85 1.56 -0.69 -1.51 0.00 0.00 177.10 175.61 2jov s VAL 55 N 3.32 3.68 -0.07 1.60 1.01 -1.26 -1.65 120.40 127.03 2jov s VAL 55 Ca 0.33 0.61 -0.24 0.00 0.00 0.00 0.00 61.98 62.68 2jov s VAL 55 Cb -0.12 -4.15 -0.29 0.00 0.00 0.00 0.00 36.38 31.82 2jov s VAL 55 CO 0.20 -0.89 0.88 0.58 0.00 0.00 0.00 175.10 175.87 2jov h VAL 56 N 6.56 1.60 -3.43 2.92 2.07 -1.16 -3.44 116.25 121.38 2jov h VAL 56 Ca -0.28 -2.40 -0.56 0.00 0.82 0.00 0.00 66.70 64.28 2jov h VAL 56 Cb 1.12 3.19 -0.39 0.00 -1.52 0.00 0.00 31.29 33.69 2jov h VAL 56 CO 1.14 0.66 -0.77 0.00 0.02 0.00 0.00 177.57 178.62 2jov s LYS 58 N 1.65 4.45 -0.79 0.00 2.20 -1.26 -0.60 119.74 125.39 2jov s LYS 58 Ca -0.03 1.00 -0.01 0.00 -0.36 0.00 0.00 55.97 56.57 2jov s LYS 58 Cb -0.18 -3.46 -0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2jov s LYS 58 CO -0.08 0.00 0.68 -1.71 -0.36 0.00 0.00 175.35 173.89 2jov n ASN 59 N 3.95 -6.80 -4.69 1.43 5.15 -0.59 -4.89 115.26 108.83 2jov n ASN 59 Ca 0.01 -0.39 -0.42 0.00 -0.60 0.00 0.00 54.58 53.17 2jov n ASN 59 Cb 0.51 -4.14 -0.03 0.00 -0.53 0.00 0.00 39.78 35.59 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 -3.02 4.64 -1.61 -1.44 2.07 -0.40 -3.30 121.20 118.13 2jov s ILE 60 Ca 0.03 1.92 0.00 0.00 -1.41 0.00 0.00 60.65 61.19 2jov s ILE 60 Cb -0.01 -4.23 0.00 0.00 0.13 0.00 0.00 42.46 38.35 2jov s ILE 60 CO 0.80 0.01 0.00 0.23 -1.91 0.00 0.00 174.94 174.07 2jov n MET 61 N 5.02 -1.18 -2.34 3.50 2.81 -1.26 -4.19 117.12 119.49 2jov n MET 61 Ca 0.09 1.03 -0.04 0.00 -1.81 0.00 0.00 57.70 56.97 2jov n MET 61 Cb 0.48 -5.22 -0.03 0.00 -0.71 0.00 0.00 33.22 27.73 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 -0.67 -1.40 0.00 7.83 2.85 -1.21 -5.01 115.26 117.65 2jov n ASN 62 Ca -0.15 1.03 0.00 0.00 -0.11 0.00 0.00 54.58 55.35 2jov n ASN 62 Cb 0.53 -4.24 0.00 0.00 1.24 0.00 0.00 39.78 37.31 2jov n ASN 62 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 2jov n THR 63 N 1.20 0.00 0.00 -0.44 5.66 -1.26 -5.03 114.28 114.41 2jov n THR 63 Ca -0.29 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 2jov n THR 63 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 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 -0.56 1.59 3.78 1.09 0.00 -1.26 -5.08 105.19 104.75 2jov n GLY 64 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2jov n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jov s VAL 65 N -1.18 4.31 -0.15 1.61 -7.23 -1.26 -4.56 120.40 111.95 2jov s VAL 65 Ca 0.00 1.71 -0.04 0.00 -1.81 0.00 0.00 61.98 61.84 2jov s VAL 65 Cb 0.00 -4.06 -0.03 0.00 0.56 0.00 0.00 36.38 32.85 2jov s VAL 65 CO 0.00 0.31 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.27 2jov s ASP 66 N -1.43 4.94 -0.37 4.85 1.11 -1.26 -1.28 116.67 123.23 2jov s ASP 66 Ca 0.43 -0.07 -0.20 0.00 0.18 0.00 0.00 52.55 52.90 2jov s ASP 66 Cb -0.21 -1.74 0.00 0.00 1.07 0.00 0.00 42.92 42.05 2jov s ASP 66 CO 0.25 0.20 0.61 -0.63 1.18 0.00 0.00 175.17 176.79 2jov s ILE 67 N 0.16 4.91 -0.08 0.77 -1.09 0.24 -2.93 121.20 123.16 2jov s ILE 67 Ca -0.01 0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.93 2jov s ILE 67 Cb -0.13 -4.07 -0.01 0.00 -1.58 0.00 0.00 42.46 36.66 2jov s ILE 67 CO 0.02 -0.33 -0.20 0.27 -1.23 0.00 0.00 174.94 173.47 2jov s ILE 68 N 2.66 2.51 -0.00 2.92 -4.36 -0.19 -0.48 121.20 124.26 2jov s ILE 68 Ca 0.23 -0.89 -0.22 0.00 -0.26 0.00 0.00 60.65 59.51 2jov s ILE 68 Cb -0.15 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 2jov s ILE 68 CO 0.15 0.56 0.64 0.00 0.24 0.00 0.00 174.94 176.53 2jov n THR 70 N 2.89 1.69 -5.01 0.00 5.66 -1.12 -0.15 114.28 118.23 2jov n THR 70 Ca -0.05 -1.88 -0.32 0.00 -3.05 0.00 0.00 64.05 58.74 2jov n THR 70 Cb 0.51 -0.04 -0.16 0.00 -1.55 0.00 0.00 70.33 69.09 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 -2.36 3.12 -0.49 1.09 2.20 -1.22 -4.58 119.74 117.51 2jov s LYS 71 Ca 0.25 -0.79 -0.27 0.00 -0.36 0.00 0.00 55.97 54.80 2jov s LYS 71 Cb 0.21 -2.44 0.03 0.00 -1.51 0.00 0.00 37.83 34.13 2jov s LYS 71 CO 0.03 0.24 1.04 -0.80 -0.36 0.00 0.00 175.35 175.50 2jov s ASN 72 N 0.24 6.53 -0.05 1.43 0.02 -1.24 -4.28 114.94 117.58 2jov s ASN 72 Ca -0.12 0.22 -0.21 0.00 -1.02 0.00 0.00 52.86 51.72 2jov s ASN 72 Cb -0.16 -2.50 -0.04 0.00 0.02 0.00 0.00 41.25 38.56 2jov s ASN 72 CO 0.07 -1.19 0.61 -0.76 0.02 0.00 0.00 177.10 175.85 2jov s LEU 73 N 4.16 4.35 0.12 0.60 1.02 0.25 -4.96 118.68 124.21 2jov s LEU 73 Ca 0.41 1.09 -0.31 0.00 0.02 0.00 0.00 54.13 55.35 2jov s LEU 73 Cb -0.09 -2.93 -0.09 0.00 0.02 0.00 0.00 46.19 43.10 2jov s LEU 73 CO 0.28 0.00 1.57 -2.84 0.02 0.00 0.00 176.35 175.38 2jov s PRO 74 N 0.34 4.23 0.81 1.29 0.02 -1.26 -4.39 135.00 136.03 2jov s PRO 74 Ca 0.32 2.30 -0.13 0.00 0.02 0.00 0.00 61.00 63.51 2jov s PRO 74 Cb -0.17 -3.34 0.08 0.00 0.02 0.00 0.00 34.50 31.09 2jov s PRO 74 CO 0.16 -0.63 1.21 0.15 -0.33 0.00 0.00 177.00 177.56 2jov s LYS 75 N 1.72 1.63 0.96 5.54 1.02 -1.26 -3.04 119.74 126.31 2jov s LYS 75 Ca 0.70 1.76 -0.15 0.00 0.02 0.00 0.00 55.97 58.30 2jov s LYS 75 Cb -0.41 -1.77 0.18 0.00 -0.52 0.00 0.00 37.83 35.31 2jov s LYS 75 CO 0.31 -2.22 1.25 0.16 -0.92 0.00 0.00 175.35 173.93 2jov s ASP 76 N -2.16 3.10 -0.08 2.83 -4.77 -1.26 -4.53 116.67 109.80 2jov s ASP 76 Ca 0.73 0.47 0.04 0.00 -3.30 0.00 0.00 52.55 50.49 2jov s ASP 76 Cb -0.29 -0.66 -0.01 0.00 -1.09 0.00 0.00 42.92 40.87 2jov s ASP 76 CO 0.51 -2.76 -0.21 -0.94 0.70 0.00 0.00 175.17 172.47 2jov s SER 77 N -4.63 3.42 -1.17 2.11 1.04 -1.26 -5.03 113.70 108.18 2jov s SER 77 Ca 0.71 -0.44 -0.21 0.00 0.48 0.00 0.00 55.95 56.49 2jov s SER 77 Cb -0.07 -1.16 0.02 0.00 0.10 0.00 0.00 66.02 64.91 2jov s SER 77 CO 0.53 0.22 1.74 -0.22 0.98 0.00 0.00 173.24 176.49 2jov s LEU 78 N 0.01 3.52 0.04 2.42 2.96 -1.26 -4.47 118.68 121.90 2jov s LEU 78 Ca -0.07 -1.87 -0.03 0.00 -0.22 0.00 0.00 54.13 51.93 2jov s LEU 78 Cb -0.15 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 2jov s LEU 78 CO 0.05 -1.84 -0.06 -0.62 -1.32 0.00 0.00 176.35 172.56 2jov n GLU 79 N 8.53 0.10 -2.85 1.98 1.02 -1.26 -5.09 120.64 123.07 2jov n GLU 79 Ca 0.44 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.60 2jov n GLU 79 Cb 0.47 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 2jov n GLU 79 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jov n HIS 80 N -3.64 -3.09 -1.94 -0.32 -0.00 -1.26 -4.75 115.22 100.21 2jov n HIS 80 Ca -0.03 1.36 -0.37 0.00 0.46 0.00 0.00 57.72 59.13 2jov n HIS 80 Cb 0.13 -3.33 -0.03 0.00 -0.12 0.00 0.00 29.99 26.64 2jov n HIS 80 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jov s HIS 81 N -1.58 1.54 0.15 1.57 3.76 -1.26 -4.31 115.29 115.16 2jov s HIS 81 Ca 0.03 0.95 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 2jov s HIS 81 Cb -0.01 -3.98 0.00 0.00 1.11 0.00 0.00 32.58 29.71 2jov s HIS 81 CO 0.62 -2.32 0.00 1.58 -0.85 0.00 0.00 174.74 173.78 2jov n HIS 82 N 13.55 -3.00 -3.45 1.40 -0.00 -1.26 -5.16 115.22 117.29 2jov n HIS 82 Ca 0.25 0.49 -0.11 0.00 0.46 0.00 0.00 57.72 58.80 2jov n HIS 82 Cb 0.52 1.54 -0.02 0.00 -0.12 0.00 0.00 29.99 31.91 2jov n HIS 82 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2jov s HIS 83 N -1.30 -0.50 -0.47 1.57 -3.43 -1.26 -5.06 115.29 104.84 2jov s HIS 83 Ca 0.00 0.36 -0.19 0.00 -0.80 0.00 0.00 55.06 54.43 2jov s HIS 83 Cb 0.00 0.54 0.03 0.00 -1.43 0.00 0.00 32.58 31.72 2jov s HIS 83 CO 0.00 -0.75 0.62 1.58 -2.00 0.00 0.00 174.74 174.19 2jov n HIS 84 N -0.24 -3.28 0.16 0.38 -0.00 -1.26 -5.07 115.22 105.90 2jov n HIS 84 Ca -0.15 1.33 0.02 0.00 -0.00 0.00 0.00 57.72 58.92 2jov n HIS 84 Cb 0.64 -3.64 0.02 0.00 -0.00 0.00 0.00 29.99 27.00 2jov n HIS 84 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92