#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 1.35 0.58 1.12 5.65 -1.26 -5.14 115.29 117.59 2jov s HIS 2 Ca 0.00 -0.57 -0.16 0.00 0.25 0.00 0.00 55.06 54.58 2jov s HIS 2 Cb 0.00 -0.71 -0.04 0.00 -1.18 0.00 0.00 32.58 30.65 2jov s HIS 2 CO 0.00 0.12 1.05 0.15 -0.65 0.00 0.00 174.74 175.42 2jov s LYS 3 N -2.66 3.38 0.00 2.88 1.02 -1.26 -4.96 119.74 118.15 2jov s LYS 3 Ca 0.08 1.21 0.08 0.00 0.02 0.00 0.00 55.97 57.37 2jov s LYS 3 Cb -0.05 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 2jov s LYS 3 CO 0.03 -0.76 -0.25 0.34 -0.92 0.00 0.00 175.35 173.78 2jov s ASP 4 N -2.72 3.16 -0.42 2.83 2.15 1.00 -4.68 116.67 117.98 2jov s ASP 4 Ca 0.64 -0.50 -0.28 0.00 0.43 0.00 0.00 52.55 52.84 2jov s ASP 4 Cb -0.16 -0.35 -0.03 0.00 -0.30 0.00 0.00 42.92 42.09 2jov s ASP 4 CO 0.35 0.30 1.90 -0.63 -0.17 0.00 0.00 175.17 176.91 2jov s ILE 5 N -0.70 3.37 -0.07 4.11 -1.09 -1.26 0.07 121.20 125.64 2jov s ILE 5 Ca 0.11 0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 58.57 2jov s ILE 5 Cb -0.10 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2jov s ILE 5 CO 0.00 -0.49 1.47 0.12 -1.23 0.00 0.00 174.94 174.81 2jov s PHE 6 N 8.06 2.48 -0.01 3.97 5.36 -1.26 -4.84 117.98 131.74 2jov s PHE 6 Ca 0.79 0.60 -0.03 0.00 -0.96 0.00 0.00 56.93 57.34 2jov s PHE 6 Cb -0.20 -3.73 -0.00 0.00 -0.34 0.00 0.00 43.02 38.75 2jov s PHE 6 CO 0.29 -2.83 0.05 -0.08 -1.46 0.00 0.00 175.22 171.19 2jov s THR 7 N 3.42 0.05 0.28 0.12 -1.32 -1.26 -0.65 115.64 116.29 2jov s THR 7 Ca 0.65 -0.41 -0.20 0.00 -1.21 0.00 0.00 61.69 60.53 2jov s THR 7 Cb -0.29 -0.22 0.02 0.00 -1.51 0.00 0.00 72.50 70.50 2jov s THR 7 CO 0.24 -0.22 0.69 -0.44 -2.21 0.00 0.00 174.62 172.68 2jov s SER 8 N -0.70 -0.22 -0.24 8.08 0.01 -0.13 -5.00 113.70 115.50 2jov s SER 8 Ca -0.08 -0.68 -0.05 0.00 1.31 0.00 0.00 55.95 56.45 2jov s SER 8 Cb -0.05 0.72 -0.01 0.00 0.21 0.00 0.00 66.02 66.89 2jov s SER 8 CO 0.00 -1.34 0.01 0.68 0.41 0.00 0.00 173.24 173.00 2jov s VAL 9 N -3.86 3.69 0.12 3.43 -7.23 -1.26 0.02 120.40 115.31 2jov s VAL 9 Ca 0.13 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.85 2jov s VAL 9 Cb -0.05 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 2jov s VAL 9 CO 0.08 0.32 0.10 0.54 -0.31 0.00 0.00 175.10 175.83 2jov s VAL 10 N 1.51 4.50 -0.26 1.32 0.11 -0.70 -4.85 120.40 122.03 2jov s VAL 10 Ca 0.05 -0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 57.90 2jov s VAL 10 Cb -0.15 -3.23 -0.01 0.00 -1.53 0.00 0.00 36.38 31.47 2jov s VAL 10 CO -0.01 0.02 1.33 -0.60 -3.33 0.00 0.00 175.10 172.51 2jov s ARG 11 N -2.71 3.98 0.16 1.54 3.52 -1.26 -0.16 118.95 124.03 2jov s ARG 11 Ca 0.30 1.40 -0.16 0.00 -0.13 0.00 0.00 55.73 57.14 2jov s ARG 11 Cb -0.11 -3.87 -0.07 0.00 -1.56 0.00 0.00 34.95 29.34 2jov s ARG 11 CO 0.23 -1.03 0.60 0.54 -0.81 0.00 0.00 175.30 174.82 2jov s VAL 12 N 4.24 4.77 0.45 7.11 0.11 -0.78 -4.16 120.40 132.14 2jov s VAL 12 Ca 0.58 0.97 0.01 0.00 -2.93 0.00 0.00 61.98 60.61 2jov s VAL 12 Cb -0.19 -3.78 -0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2jov s VAL 12 CO 0.22 0.25 0.03 -1.14 -3.33 0.00 0.00 175.10 171.13 2jov n ARG 13 N 0.83 0.80 0.00 1.54 0.63 0.64 -4.53 116.66 116.57 2jov n ARG 13 Ca -0.05 -3.39 0.00 0.00 -0.92 0.00 0.00 57.85 53.49 2jov n ARG 13 Cb 0.52 1.11 0.00 0.00 0.45 0.00 0.00 32.46 34.53 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 -0.62 -2.02 3.55 5.14 0.00 -1.26 -4.05 105.19 105.93 2jov n GLY 14 Ca -0.16 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 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 -3.37 6.44 0.00 1.61 0.01 -1.26 -4.87 113.70 112.26 2jov s SER 15 Ca 0.00 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.96 2jov s SER 15 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2jov s SER 15 CO 0.00 -1.54 0.00 2.29 0.41 0.00 0.00 173.24 174.40 2jov n LYS 16 N 8.85 0.00 -0.19 12.44 -0.00 -1.26 -1.37 118.16 136.63 2jov n LYS 16 Ca 0.27 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.64 2jov n LYS 16 Cb 0.51 0.00 0.08 0.00 -0.00 0.00 0.00 35.03 35.61 2jov n LYS 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2jov n LYS 17 N 0.00 0.98 -4.47 -1.58 4.81 -1.26 -4.92 118.16 111.73 2jov n LYS 17 Ca 0.00 -1.89 -0.26 0.00 -0.87 0.00 0.00 58.31 55.30 2jov n LYS 17 Cb 0.00 -1.09 -0.10 0.00 0.02 0.00 0.00 35.03 33.86 2jov n LYS 17 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2jov s TYR 18 N -1.67 2.47 0.00 5.64 2.02 -1.26 -5.04 117.35 119.50 2jov s TYR 18 Ca 0.18 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 2jov s TYR 18 Cb 0.15 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 2jov s TYR 18 CO 0.02 0.52 0.32 0.09 -1.57 0.00 0.00 175.55 174.93 2jov n ASN 19 N -0.88 0.63 -3.76 2.29 4.13 -1.26 -4.81 115.26 111.60 2jov n ASN 19 Ca -0.05 -0.91 -0.13 0.00 1.68 0.00 0.00 54.58 55.17 2jov n ASN 19 Cb 0.63 0.10 -0.08 0.00 -1.54 0.00 0.00 39.78 38.89 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 -0.10 0.06 -0.10 2.41 -7.23 -1.26 -1.87 120.40 112.31 2jov s VAL 20 Ca 0.00 -0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 59.61 2jov s VAL 20 Cb 0.00 -0.71 0.05 0.00 0.56 0.00 0.00 36.38 36.29 2jov s VAL 20 CO 0.00 -0.29 0.20 0.54 -0.31 0.00 0.00 175.10 175.24 2jov s VAL 21 N -1.65 -0.29 -0.13 1.32 0.11 0.78 -4.69 120.40 115.85 2jov s VAL 21 Ca -0.11 0.30 -0.29 0.00 -2.93 0.00 0.00 61.98 58.95 2jov s VAL 21 Cb -0.04 -0.35 -0.06 0.00 -1.53 0.00 0.00 36.38 34.40 2jov s VAL 21 CO 0.02 0.13 1.96 -2.84 -3.33 0.00 0.00 175.10 171.04 2jov s PRO 22 N 2.19 3.67 0.11 1.54 0.02 -1.26 -1.73 135.00 139.55 2jov s PRO 22 Ca 0.01 2.13 0.05 0.00 0.02 0.00 0.00 61.00 63.21 2jov s PRO 22 Cb -0.12 -4.21 -0.04 0.00 0.02 0.00 0.00 34.50 30.16 2jov s PRO 22 CO -0.07 -1.48 0.02 0.14 -0.33 0.00 0.00 177.00 175.28 2jov s VAL 23 N 6.10 4.05 0.26 3.83 -7.23 0.10 -2.15 120.40 125.37 2jov s VAL 23 Ca 0.88 -1.06 -0.08 0.00 -1.81 0.00 0.00 61.98 59.91 2jov s VAL 23 Cb -0.34 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 2jov s VAL 23 CO 0.36 0.05 0.40 -1.59 -0.31 0.00 0.00 175.10 174.01 2jov s LYS 24 N -2.52 1.55 -0.15 4.82 -2.85 0.81 -0.96 119.74 120.44 2jov s LYS 24 Ca 0.27 -1.46 -0.04 0.00 -1.00 0.00 0.00 55.97 53.75 2jov s LYS 24 Cb -0.11 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 2jov s LYS 24 CO 0.19 -0.62 -0.04 -1.12 0.10 0.00 0.00 175.35 173.87 2jov s SER 25 N -3.10 4.81 0.00 0.03 0.01 0.18 -0.87 113.70 114.76 2jov s SER 25 Ca 0.28 -0.12 0.26 0.00 1.31 0.00 0.00 55.95 57.68 2jov s SER 25 Cb 0.01 -1.78 1.13 0.00 0.21 0.00 0.00 66.02 65.59 2jov s SER 25 CO 0.12 0.17 1.84 -0.46 0.41 0.00 0.00 173.24 175.33 2jov n ASN 26 N 3.50 0.00 -4.29 2.44 0.23 -1.21 -4.66 115.26 111.28 2jov n ASN 26 Ca -0.17 0.46 -0.28 0.00 -0.53 0.00 0.00 54.58 54.06 2jov n ASN 26 Cb 0.52 -0.49 -0.15 0.00 -2.08 0.00 0.00 39.78 37.59 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 -2.97 1.65 0.16 -3.83 1.02 -1.26 -5.05 119.74 109.46 2jov s LYS 27 Ca 0.13 -0.99 -0.31 0.00 0.02 0.00 0.00 55.97 54.82 2jov s LYS 27 Cb 0.17 -1.76 -0.09 0.00 -0.52 0.00 0.00 37.83 35.63 2jov s LYS 27 CO 0.47 0.46 1.47 -1.25 -0.92 0.00 0.00 175.35 175.58 2jov s PRO 28 N -1.08 4.27 -0.11 -1.68 0.04 -1.26 -4.59 135.00 130.59 2jov s PRO 28 Ca 0.10 2.23 -0.02 0.00 0.04 0.00 0.00 61.00 63.34 2jov s PRO 28 Cb -0.09 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2jov s PRO 28 CO 0.01 -0.49 -0.01 0.08 0.04 0.00 0.00 177.00 176.63 2jov s VAL 29 N 0.89 4.18 0.28 -0.36 1.01 0.11 -4.74 120.40 121.77 2jov s VAL 29 Ca 0.66 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.15 2jov s VAL 29 Cb -0.40 -2.78 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 2jov s VAL 29 CO 0.33 0.57 0.79 -1.83 0.00 0.00 0.00 175.10 174.96 2jov s GLU 30 N -0.48 4.26 0.00 2.72 -1.05 -1.26 -0.00 118.70 122.88 2jov s GLU 30 Ca 0.08 0.93 0.15 0.00 -0.15 0.00 0.00 54.97 55.98 2jov s GLU 30 Cb -0.12 -2.70 0.88 0.00 -0.44 0.00 0.00 34.13 31.75 2jov s GLU 30 CO 0.02 0.28 1.34 0.44 0.95 0.00 0.00 175.26 178.29 2jov n ILE 31 N 0.33 0.00 0.05 1.83 -5.35 -1.26 -1.48 119.36 113.48 2jov n ILE 31 Ca 0.01 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 2jov n ILE 31 Cb 0.52 -0.53 -0.13 0.00 -1.74 0.00 0.00 39.64 37.75 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 0.20 0.25 7.28 4.64 -2.04 -3.30 113.55 120.59 2jov h SER 32 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2jov h SER 32 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2jov h SER 32 CO 0.00 1.22 -0.47 0.29 -0.87 0.00 0.00 176.83 177.01 2jov n LYS 33 N -3.35 0.52 -0.34 4.77 5.02 -0.55 -4.23 118.16 119.99 2jov n LYS 33 Ca -0.11 -0.35 0.01 0.00 -2.02 0.00 0.00 58.31 55.85 2jov n LYS 33 Cb 1.01 -1.49 0.15 0.00 -0.02 0.00 0.00 35.03 34.68 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 0.84 1.11 -0.48 2.13 7.01 -1.54 -1.63 115.95 123.39 2jov h TRP 34 Ca 0.00 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.95 2jov h TRP 34 Cb 0.54 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 2jov h TRP 34 CO 0.00 0.59 0.00 0.82 -2.79 0.00 0.00 178.44 177.06 2jov h ILE 35 N 1.10 1.26 -0.48 2.65 2.04 -1.77 -1.81 117.51 120.51 2jov h ILE 35 Ca 0.39 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 2jov h ILE 35 Cb 0.12 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2jov h ILE 35 CO -0.16 0.37 0.30 0.44 0.00 0.00 0.00 178.15 179.10 2jov h ASP 36 N 0.71 0.56 -0.99 1.72 5.19 -1.66 -1.08 116.42 120.86 2jov h ASP 36 Ca 0.14 -0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.51 2jov h ASP 36 Cb 0.51 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.83 2jov h ASP 36 CO 0.02 0.44 0.65 -0.26 -3.12 0.00 0.00 179.24 176.97 2jov h PHE 37 N 0.64 1.27 -0.70 4.55 -1.00 -1.13 -0.74 116.94 119.82 2jov h PHE 37 Ca 0.17 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.93 2jov h PHE 37 Cb -0.03 -0.43 -0.03 0.00 3.61 0.00 0.00 35.95 39.08 2jov h PHE 37 CO -0.03 0.81 0.25 0.77 -1.61 0.00 0.00 178.31 178.49 2jov h SER 38 N 1.35 0.98 -0.62 2.17 0.02 -0.83 -1.05 113.55 115.58 2jov h SER 38 Ca 0.36 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 2jov h SER 38 Cb -0.13 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.12 2jov h SER 38 CO -0.08 0.89 0.18 0.78 -1.14 0.00 0.00 176.83 177.47 2jov h ASN 39 N 1.02 0.93 -0.44 3.07 2.35 -0.22 -1.84 115.58 120.45 2jov h ASN 39 Ca 0.23 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 2jov h ASN 39 Cb 0.25 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2jov h ASN 39 CO -0.01 0.88 -0.14 0.58 -1.65 0.00 0.00 177.43 177.08 2jov h VAL 40 N 0.96 1.27 0.00 2.81 2.07 -0.63 -2.64 116.25 120.09 2jov h VAL 40 Ca 0.21 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 2jov h VAL 40 Cb 0.30 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2jov h VAL 40 CO -0.01 0.43 -0.02 -0.07 0.02 0.00 0.00 177.57 177.93 2jov h LEU 41 N 0.71 0.00 -0.33 2.57 3.38 -0.97 0.36 115.31 121.03 2jov h LEU 41 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jov h LEU 41 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2jov h LEU 41 CO 0.05 0.02 0.00 -0.24 0.09 0.00 0.00 178.44 178.36 2jov n SER 42 N -3.13 0.50 0.00 -0.43 2.88 -0.71 -3.62 113.62 109.10 2jov n SER 42 Ca 0.00 -1.58 0.00 0.00 -1.33 0.00 0.00 58.87 55.96 2jov n SER 42 Cb 0.28 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.42 2.32 -2.49 -1.46 3.00 0.01 -5.02 116.66 112.60 2jov n ARG 43 Ca 0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.55 2jov n ARG 43 Cb 0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 32.46 31.71 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 -3.39 3.71 -0.30 6.15 2.96 0.11 -4.99 118.68 122.93 2jov s LEU 44 Ca 0.00 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 2jov s LEU 44 Cb 0.00 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.21 2jov s LEU 44 CO 0.00 -1.23 -0.01 -0.31 -1.32 0.00 0.00 176.35 173.48 2jov s TYR 45 N 4.64 3.38 -0.24 5.38 1.51 -1.26 -4.79 117.35 125.96 2jov s TYR 45 Ca 0.53 -2.27 -0.17 0.00 -1.01 0.00 0.00 57.07 54.15 2jov s TYR 45 Cb -0.12 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 2jov s TYR 45 CO 0.28 -0.87 0.49 0.14 -1.11 0.00 0.00 175.55 174.48 2jov s VAL 46 N 1.13 5.10 -0.28 0.71 -7.23 -1.26 -4.88 120.40 113.69 2jov s VAL 46 Ca -0.03 0.85 0.11 0.00 -1.81 0.00 0.00 61.98 61.10 2jov s VAL 46 Cb -0.20 -3.81 0.62 0.00 0.56 0.00 0.00 36.38 33.55 2jov s VAL 46 CO -0.04 0.13 1.61 0.61 -0.31 0.00 0.00 175.10 177.10 2jov n GLY 47 N 4.28 4.13 3.17 2.32 0.00 -1.26 -0.26 105.19 117.56 2jov n GLY 47 Ca -0.05 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.02 3.35 -0.78 1.61 1.01 -1.26 -4.26 120.40 117.06 2jov s VAL 48 Ca 0.49 -1.70 -0.26 0.00 0.00 0.00 0.00 61.98 60.51 2jov s VAL 48 Cb 0.40 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 2jov s VAL 48 CO 0.09 -0.45 1.69 -2.84 0.00 0.00 0.00 175.10 173.58 2jov s PRO 49 N 1.23 2.89 0.20 2.72 0.02 -1.26 -4.98 135.00 135.82 2jov s PRO 49 Ca 0.03 -0.08 0.08 0.00 0.02 0.00 0.00 61.00 61.04 2jov s PRO 49 Cb -0.22 -4.67 -0.04 0.00 0.02 0.00 0.00 34.50 29.60 2jov s PRO 49 CO -0.02 -2.68 0.04 0.95 -0.33 0.00 0.00 177.00 174.96 2jov s THR 50 N 7.93 3.82 -1.07 0.99 -4.23 -1.22 -4.14 115.64 117.71 2jov s THR 50 Ca 0.57 -1.50 -0.07 0.00 -1.18 0.00 0.00 61.69 59.52 2jov s THR 50 Cb -0.08 -2.97 0.28 0.00 1.34 0.00 0.00 72.50 71.07 2jov s THR 50 CO 0.09 -0.20 1.13 0.29 -0.54 0.00 0.00 174.62 175.39 2jov n LYS 51 N -0.44 3.55 -0.86 3.99 5.02 -1.26 -0.40 118.16 127.76 2jov n LYS 51 Ca -0.09 -4.48 0.10 0.00 -2.02 0.00 0.00 58.31 51.82 2jov n LYS 51 Cb 0.56 -2.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.00 2jov n LYS 51 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jov n SER 52 N 2.36 -4.69 -2.53 4.39 2.88 -0.86 -4.83 113.62 110.35 2jov n SER 52 Ca 0.24 0.89 -0.19 0.00 -1.33 0.00 0.00 58.87 58.47 2jov n SER 52 Cb 0.38 -2.96 -0.00 0.00 -0.75 0.00 0.00 64.21 60.87 2jov n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jov n GLY 53 N -3.37 -0.50 3.36 0.46 0.00 -0.96 -4.94 105.19 99.25 2jov n GLY 53 Ca -0.06 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.16 4.65 -0.48 1.61 2.20 -1.18 -4.96 114.94 114.63 2jov s ASN 54 Ca 0.06 -0.35 -0.28 0.00 -0.94 0.00 0.00 52.86 51.34 2jov s ASN 54 Cb -0.03 -1.81 0.03 0.00 -2.00 0.00 0.00 41.25 37.44 2jov s ASN 54 CO 0.07 -0.04 1.08 -0.69 -2.94 0.00 0.00 177.10 174.59 2jov s VAL 55 N 1.53 4.27 -0.06 3.54 1.01 -1.26 -0.90 120.40 128.52 2jov s VAL 55 Ca 0.06 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 2jov s VAL 55 Cb -0.15 -4.57 -0.30 0.00 0.00 0.00 0.00 36.38 31.36 2jov s VAL 55 CO -0.00 -0.98 0.65 -0.37 0.00 0.00 0.00 175.10 174.39 2jov h VAL 56 N 6.20 0.93 -3.24 2.92 -1.51 -1.36 -3.43 116.25 116.75 2jov h VAL 56 Ca -0.23 -2.49 -0.59 0.00 -1.23 0.00 0.00 66.70 62.15 2jov h VAL 56 Cb 1.06 2.75 -0.40 0.00 -2.13 0.00 0.00 31.29 32.58 2jov h VAL 56 CO 1.10 0.85 -0.75 0.00 -1.23 0.00 0.00 177.57 177.54 2jov s LYS 58 N 1.54 4.17 -0.49 0.00 2.20 -1.26 -0.22 119.74 125.67 2jov s LYS 58 Ca 0.09 0.91 -0.08 0.00 -0.36 0.00 0.00 55.97 56.53 2jov s LYS 58 Cb -0.17 -3.65 0.01 0.00 -1.51 0.00 0.00 37.83 32.51 2jov s LYS 58 CO -0.22 -0.51 0.56 -1.71 -0.36 0.00 0.00 175.35 173.11 2jov n ASN 59 N 5.99 -7.17 -4.70 1.43 5.15 -0.69 -4.94 115.26 110.32 2jov n ASN 59 Ca 0.05 0.24 -0.42 0.00 -0.60 0.00 0.00 54.58 53.85 2jov n ASN 59 Cb 0.48 -4.83 -0.03 0.00 -0.53 0.00 0.00 39.78 34.86 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 -2.67 3.90 0.00 -1.44 2.07 -0.19 -4.36 121.20 118.51 2jov s ILE 60 Ca 0.12 1.33 0.00 0.00 -1.41 0.00 0.00 60.65 60.69 2jov s ILE 60 Cb -0.03 -3.85 0.00 0.00 0.13 0.00 0.00 42.46 38.70 2jov s ILE 60 CO 0.67 0.06 0.00 0.23 -1.91 0.00 0.00 174.94 173.98 2jov n MET 61 N 4.53 0.00 0.00 3.50 2.81 -1.26 -3.71 117.12 122.98 2jov n MET 61 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2jov n MET 61 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 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 2.34 0.00 -0.26 7.83 5.15 -1.26 -5.05 115.26 124.01 2jov n ASN 62 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2jov n ASN 62 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2jov n ASN 62 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2jov n THR 63 N 0.00 0.00 0.00 -0.44 5.66 -1.24 -5.01 114.28 113.25 2jov n THR 63 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jov n THR 63 Cb 0.00 0.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 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 0.00 2.96 3.67 1.09 0.00 -1.26 -4.98 105.19 106.67 2jov n GLY 64 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.12 3.50 -0.25 1.61 1.01 -1.26 -4.30 120.40 119.59 2jov s VAL 65 Ca 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 61.98 62.54 2jov s VAL 65 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2jov s VAL 65 CO 0.00 -0.05 0.37 -1.81 0.00 0.00 0.00 175.10 173.61 2jov s ASP 66 N 3.02 6.30 -0.21 3.32 1.11 -1.26 -1.02 116.67 127.93 2jov s ASP 66 Ca 0.72 0.35 -0.20 0.00 0.18 0.00 0.00 52.55 53.60 2jov s ASP 66 Cb -0.34 -2.21 -0.02 0.00 1.07 0.00 0.00 42.92 41.41 2jov s ASP 66 CO 0.30 -0.14 0.62 -0.63 1.18 0.00 0.00 175.17 176.50 2jov s ILE 67 N 1.77 5.02 -0.02 0.77 -1.09 0.69 -3.28 121.20 125.07 2jov s ILE 67 Ca 0.16 1.15 0.07 0.00 -2.23 0.00 0.00 60.65 59.80 2jov s ILE 67 Cb -0.15 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 2jov s ILE 67 CO 0.09 0.10 -0.24 0.27 -1.23 0.00 0.00 174.94 173.93 2jov s ILE 68 N 1.99 1.90 -0.22 2.92 -4.36 -0.05 -0.84 121.20 122.54 2jov s ILE 68 Ca 0.28 -1.03 -0.20 0.00 -0.26 0.00 0.00 60.65 59.44 2jov s ILE 68 Cb -0.16 -1.58 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 2jov s ILE 68 CO 0.10 0.54 0.58 0.00 0.24 0.00 0.00 174.94 176.40 2jov n THR 70 N 4.83 0.82 -3.69 0.00 5.66 -0.91 -2.25 114.28 118.74 2jov n THR 70 Ca -0.02 -0.91 -0.34 0.00 -3.05 0.00 0.00 64.05 59.72 2jov n THR 70 Cb 0.50 0.68 -0.05 0.00 -1.55 0.00 0.00 70.33 69.90 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 -1.16 3.65 -0.55 1.09 2.20 -1.26 -4.63 119.74 119.08 2jov s LYS 71 Ca 0.43 0.02 -0.20 0.00 -0.36 0.00 0.00 55.97 55.85 2jov s LYS 71 Cb 0.23 -3.04 0.07 0.00 -1.51 0.00 0.00 37.83 33.58 2jov s LYS 71 CO 0.31 0.61 0.72 -0.80 -0.36 0.00 0.00 175.35 175.83 2jov s ASN 72 N -1.76 6.22 -0.40 1.43 0.02 -1.26 -2.03 114.94 117.16 2jov s ASN 72 Ca 0.30 -0.97 -0.17 0.00 -1.02 0.00 0.00 52.86 51.00 2jov s ASN 72 Cb -0.13 -2.33 0.01 0.00 0.02 0.00 0.00 41.25 38.82 2jov s ASN 72 CO 0.17 -1.05 0.44 -0.76 0.02 0.00 0.00 177.10 175.92 2jov s LEU 73 N 2.97 4.71 -0.27 0.60 1.43 0.46 -4.90 118.68 123.68 2jov s LEU 73 Ca 0.17 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 2jov s LEU 73 Cb -0.19 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.61 2jov s LEU 73 CO 0.11 -0.53 1.33 -2.84 0.23 0.00 0.00 176.35 174.66 2jov s PRO 74 N 2.17 3.94 -0.04 1.29 0.02 -1.26 -3.43 135.00 137.69 2jov s PRO 74 Ca 0.13 1.35 -0.30 0.00 0.02 0.00 0.00 61.00 62.20 2jov s PRO 74 Cb -0.17 -3.88 -0.03 0.00 0.02 0.00 0.00 34.50 30.44 2jov s PRO 74 CO 0.13 -1.09 1.18 0.21 -0.33 0.00 0.00 177.00 177.10 2jov s LYS 75 N 4.14 4.38 -0.64 5.54 2.20 -1.26 -4.58 119.74 129.52 2jov s LYS 75 Ca 0.58 1.66 -0.04 0.00 -0.36 0.00 0.00 55.97 57.81 2jov s LYS 75 Cb -0.18 -3.52 0.17 0.00 -1.51 0.00 0.00 37.83 32.78 2jov s LYS 75 CO 0.23 -0.39 0.47 0.34 -0.36 0.00 0.00 175.35 175.63 2jov s ASP 76 N 1.38 5.34 -0.72 1.43 2.15 -0.47 -5.01 116.67 120.77 2jov s ASP 76 Ca 0.56 -2.86 -0.27 0.00 0.43 0.00 0.00 52.55 50.41 2jov s ASP 76 Cb -0.25 -1.88 0.02 0.00 -0.30 0.00 0.00 42.92 40.51 2jov s ASP 76 CO 0.23 -0.38 1.41 -0.44 -0.17 0.00 0.00 175.17 175.82 2jov s SER 77 N 0.76 5.98 -0.06 -0.34 0.01 -1.26 -4.48 113.70 114.30 2jov s SER 77 Ca 0.17 -0.32 0.09 0.00 1.31 0.00 0.00 55.95 57.21 2jov s SER 77 Cb -0.19 -2.55 -0.13 0.00 0.21 0.00 0.00 66.02 63.35 2jov s SER 77 CO -0.04 -1.95 0.10 0.18 0.41 0.00 0.00 173.24 171.95 2jov n LEU 78 N 10.09 0.00 -1.89 2.44 4.77 -1.26 -4.65 117.00 126.50 2jov n LEU 78 Ca 0.08 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 2jov n LEU 78 Cb 0.50 0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.79 2jov n LEU 78 CO 0.71 0.15 1.18 1.21 -1.33 0.00 0.00 177.39 179.30 2jov n GLU 79 N -2.16 1.88 -3.86 3.23 2.13 -1.26 -4.79 120.64 115.81 2jov n GLU 79 Ca -0.10 -1.79 -0.10 0.00 0.66 0.00 0.00 57.16 55.83 2jov n GLU 79 Cb 0.60 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.56 2jov n GLU 79 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2jov s HIS 80 N -2.06 0.16 0.00 4.31 2.46 -1.26 -4.63 115.29 114.27 2jov s HIS 80 Ca 0.35 -0.51 0.00 0.00 0.47 0.00 0.00 55.06 55.37 2jov s HIS 80 Cb 0.28 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.88 2jov s HIS 80 CO 0.01 -0.81 0.00 0.72 -2.47 0.00 0.00 174.74 172.20 2jov n HIS 81 N -0.27 0.00 -0.02 3.88 8.25 -1.26 -4.71 115.22 121.09 2jov n HIS 81 Ca -0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.32 2jov n HIS 81 Cb 0.63 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.70 2jov n HIS 81 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jov h HIS 82 N 0.00 -0.62 0.00 4.41 3.86 -1.93 -3.37 115.15 117.50 2jov h HIS 82 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2jov h HIS 82 Cb 0.00 0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2jov h HIS 82 CO 0.00 -0.20 -0.06 -2.39 0.86 0.00 0.00 177.93 176.14 2jov n HIS 83 N -3.66 0.00 -0.66 2.45 1.44 -1.26 -5.13 115.22 108.39 2jov n HIS 83 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2jov n HIS 83 Cb 0.14 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.25 2jov n HIS 83 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jov n HIS 84 N 0.00 -1.82 0.83 -1.40 -0.00 -1.26 -5.17 115.22 106.40 2jov n HIS 84 Ca 0.00 0.98 0.10 0.00 0.46 0.00 0.00 57.72 59.26 2jov n HIS 84 Cb 0.52 -1.95 0.08 0.00 -0.12 0.00 0.00 29.99 28.53 2jov n HIS 84 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38