#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 1.93 -0.18 1.12 5.65 -1.26 -4.98 115.29 117.57 2jov s HIS 2 Ca 0.00 0.66 -0.12 0.00 0.25 0.00 0.00 55.06 55.85 2jov s HIS 2 Cb 0.00 -4.18 -0.05 0.00 -1.18 0.00 0.00 32.58 27.17 2jov s HIS 2 CO 0.00 -2.47 0.23 0.15 -0.65 0.00 0.00 174.74 172.00 2jov s LYS 3 N 5.92 4.23 0.37 2.88 1.02 -1.26 -4.30 119.74 128.60 2jov s LYS 3 Ca 0.69 -0.04 0.06 0.00 0.02 0.00 0.00 55.97 56.70 2jov s LYS 3 Cb -0.17 -3.43 -0.07 0.00 -0.52 0.00 0.00 37.83 33.64 2jov s LYS 3 CO 0.29 0.25 0.03 0.34 -0.92 0.00 0.00 175.35 175.33 2jov s ASP 4 N 0.47 3.20 -0.61 2.83 -1.08 -0.26 -4.76 116.67 116.45 2jov s ASP 4 Ca 0.13 -1.37 -0.23 0.00 -0.52 0.00 0.00 52.55 50.55 2jov s ASP 4 Cb -0.12 -0.26 0.05 0.00 -1.46 0.00 0.00 42.92 41.13 2jov s ASP 4 CO 0.02 -0.52 0.96 -0.63 0.52 0.00 0.00 175.17 175.52 2jov s ILE 5 N -2.97 4.33 -0.03 4.11 -1.09 -1.26 -0.06 121.20 124.23 2jov s ILE 5 Ca 0.36 -0.04 -0.30 0.00 -2.23 0.00 0.00 60.65 58.43 2jov s ILE 5 Cb 0.09 -4.62 -0.09 0.00 -1.58 0.00 0.00 42.46 36.26 2jov s ILE 5 CO 0.17 -1.31 2.02 0.33 -1.23 0.00 0.00 174.94 174.92 2jov n PHE 6 N 7.65 2.38 -4.93 3.97 7.35 -1.26 -4.76 117.46 127.86 2jov n PHE 6 Ca -0.01 -0.28 -0.29 0.00 -0.76 0.00 0.00 57.45 56.11 2jov n PHE 6 Cb 0.46 -2.77 -0.17 0.00 0.35 0.00 0.00 39.48 37.35 2jov n PHE 6 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2jov s THR 7 N 5.22 1.63 0.07 -2.13 2.01 -1.26 -1.40 115.64 119.78 2jov s THR 7 Ca 0.92 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 62.16 2jov s THR 7 Cb -0.45 -1.43 -0.00 0.00 0.01 0.00 0.00 72.50 70.62 2jov s THR 7 CO 0.42 0.46 0.08 -0.24 -0.69 0.00 0.00 174.62 174.65 2jov n SER 8 N 3.63 -0.21 -3.91 3.53 2.88 0.48 -4.97 113.62 115.05 2jov n SER 8 Ca -0.21 -1.45 -0.24 0.00 -1.33 0.00 0.00 58.87 55.64 2jov n SER 8 Cb 0.52 0.44 -0.17 0.00 -0.75 0.00 0.00 64.21 64.25 2jov n SER 8 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jov s VAL 9 N -2.38 0.84 0.30 2.46 1.01 -1.26 0.19 120.40 121.56 2jov s VAL 9 Ca 0.08 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.91 2jov s VAL 9 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2jov s VAL 9 CO 0.06 0.32 0.05 0.68 0.00 0.00 0.00 175.10 176.20 2jov s VAL 10 N 1.29 3.29 -0.10 2.92 -7.23 -0.46 -4.85 120.40 115.25 2jov s VAL 10 Ca -0.04 -1.82 -0.18 0.00 -1.81 0.00 0.00 61.98 58.13 2jov s VAL 10 Cb -0.14 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 2jov s VAL 10 CO -0.03 -0.30 0.47 -0.13 -0.31 0.00 0.00 175.10 174.81 2jov s ARG 11 N -3.74 4.31 -0.23 4.82 0.52 -1.26 -1.77 118.95 121.60 2jov s ARG 11 Ca 0.34 0.45 -0.06 0.00 -0.52 0.00 0.00 55.73 55.94 2jov s ARG 11 Cb -0.05 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 31.99 2jov s ARG 11 CO 0.21 0.21 0.02 0.08 0.02 0.00 0.00 175.30 175.84 2jov s VAL 12 N 0.46 3.95 0.15 3.52 1.01 0.11 -2.31 120.40 127.28 2jov s VAL 12 Ca 0.26 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2jov s VAL 12 Cb -0.15 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2jov s VAL 12 CO 0.11 0.39 0.29 -0.13 0.00 0.00 0.00 175.10 175.76 2jov s ARG 13 N 1.38 3.45 0.00 2.72 0.52 0.11 -4.62 118.95 122.51 2jov s ARG 13 Ca 0.05 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 2jov s ARG 13 Cb -0.15 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.37 2jov s ARG 13 CO 0.01 0.52 0.00 0.41 0.02 0.00 0.00 175.30 176.26 2jov n GLY 14 N -0.46 3.01 3.54 -3.53 0.00 -1.26 -3.91 105.19 102.58 2jov n GLY 14 Ca -0.06 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 2jov n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jov s SER 15 N 0.00 6.72 0.15 1.61 1.04 -1.26 -4.89 113.70 117.08 2jov s SER 15 Ca 0.00 -2.12 -0.01 0.00 0.48 0.00 0.00 55.95 54.31 2jov s SER 15 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2jov s SER 15 CO 0.00 -1.22 0.21 2.29 0.98 0.00 0.00 173.24 175.51 2jov n LYS 16 N 7.94 0.31 -0.06 4.02 -0.00 -1.26 -5.04 118.16 124.07 2jov n LYS 16 Ca 0.38 -1.24 -0.04 0.00 -0.00 0.00 0.00 58.31 57.42 2jov n LYS 16 Cb 0.48 1.19 -0.01 0.00 -0.00 0.00 0.00 35.03 36.68 2jov n LYS 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2jov h LYS 17 N 0.00 0.00 -6.44 -1.58 3.11 -1.90 -3.45 116.57 106.32 2jov h LYS 17 Ca -0.12 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 57.15 2jov h LYS 17 Cb 0.52 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.71 2jov h LYS 17 CO 0.16 0.04 1.14 0.71 -2.81 0.00 0.00 179.45 178.70 2jov s TYR 18 N -2.03 2.20 -0.58 1.91 2.02 -1.26 -4.85 117.35 114.76 2jov s TYR 18 Ca -0.11 0.65 0.24 0.00 -0.37 0.00 0.00 57.07 57.48 2jov s TYR 18 Cb 0.01 -4.26 0.21 0.00 -0.40 0.00 0.00 41.96 37.52 2jov s TYR 18 CO 0.17 -2.28 1.19 0.09 -1.57 0.00 0.00 175.55 173.14 2jov n ASN 19 N 9.39 0.68 -3.84 2.29 3.02 -1.26 -4.82 115.26 120.73 2jov n ASN 19 Ca 0.18 0.04 -0.18 0.00 -0.03 0.00 0.00 54.58 54.60 2jov n ASN 19 Cb 0.48 0.41 -0.16 0.00 -0.61 0.00 0.00 39.78 39.89 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2jov s VAL 20 N -3.20 0.28 -0.10 2.41 -7.23 -1.26 0.08 120.40 111.38 2jov s VAL 20 Ca 0.05 0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.27 2jov s VAL 20 Cb 0.13 -0.36 -0.00 0.00 0.56 0.00 0.00 36.38 36.71 2jov s VAL 20 CO 0.76 0.17 -0.22 0.54 -0.31 0.00 0.00 175.10 176.03 2jov s VAL 21 N 0.98 2.20 0.03 1.32 0.11 -0.73 -4.94 120.40 119.37 2jov s VAL 21 Ca -0.10 -0.97 -0.30 0.00 -2.93 0.00 0.00 61.98 57.67 2jov s VAL 21 Cb -0.14 -1.85 -0.06 0.00 -1.53 0.00 0.00 36.38 32.80 2jov s VAL 21 CO -0.01 0.55 1.46 -2.16 -3.33 0.00 0.00 175.10 171.61 2jov s PRO 22 N 0.35 4.27 0.24 1.54 0.04 -1.26 -1.36 135.00 138.82 2jov s PRO 22 Ca -0.18 2.07 0.09 0.00 0.04 0.00 0.00 61.00 63.02 2jov s PRO 22 Cb -0.18 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 2jov s PRO 22 CO 0.08 -0.59 -0.05 0.14 0.04 0.00 0.00 177.00 176.62 2jov s VAL 23 N 2.27 3.31 0.26 -0.36 -7.23 0.13 -3.06 120.40 115.73 2jov s VAL 23 Ca 0.66 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2jov s VAL 23 Cb -0.34 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.84 2jov s VAL 23 CO 0.28 -0.29 0.23 -1.59 -0.31 0.00 0.00 175.10 173.42 2jov s LYS 24 N -3.40 1.48 -0.17 4.82 -2.85 0.11 -0.38 119.74 119.34 2jov s LYS 24 Ca 0.29 -1.77 -0.04 0.00 -1.00 0.00 0.00 55.97 53.45 2jov s LYS 24 Cb -0.07 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 35.99 2jov s LYS 24 CO 0.18 -0.53 -0.03 -1.12 0.10 0.00 0.00 175.35 173.96 2jov s SER 25 N -3.24 4.77 0.40 0.03 0.01 -0.50 -0.98 113.70 114.19 2jov s SER 25 Ca 0.38 -0.17 0.12 0.00 1.31 0.00 0.00 55.95 57.59 2jov s SER 25 Cb 0.04 -1.79 0.81 0.00 0.21 0.00 0.00 66.02 65.29 2jov s SER 25 CO 0.19 0.12 1.90 -0.55 0.41 0.00 0.00 173.24 175.31 2jov h ASN 26 N 7.06 0.10 -3.69 2.44 -1.07 -1.89 -3.42 115.58 115.11 2jov h ASN 26 Ca -0.33 -0.02 -0.68 0.00 0.07 0.00 0.00 56.30 55.33 2jov h ASN 26 Cb 1.19 -0.03 -0.20 0.00 -2.07 0.00 0.00 38.32 37.21 2jov h ASN 26 CO 0.62 0.33 -0.71 -0.54 0.07 0.00 0.00 177.43 177.20 2jov s LYS 27 N -4.52 2.80 -0.11 4.14 1.02 -1.26 -5.03 119.74 116.78 2jov s LYS 27 Ca -0.04 -0.58 -0.29 0.00 0.02 0.00 0.00 55.97 55.08 2jov s LYS 27 Cb 0.15 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 2jov s LYS 27 CO 0.72 0.60 1.79 -2.14 -0.92 0.00 0.00 175.35 175.41 2jov s PRO 28 N -0.65 3.89 0.41 -1.68 0.02 -1.26 -4.73 135.00 131.00 2jov s PRO 28 Ca 0.10 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.20 2jov s PRO 28 Cb -0.11 -4.10 -0.02 0.00 0.02 0.00 0.00 34.50 30.29 2jov s PRO 28 CO 0.02 -1.20 0.63 0.14 -0.33 0.00 0.00 177.00 176.25 2jov s VAL 29 N 5.13 4.49 0.35 3.83 -7.23 0.91 -4.69 120.40 123.20 2jov s VAL 29 Ca 0.80 -0.44 -0.25 0.00 -1.81 0.00 0.00 61.98 60.28 2jov s VAL 29 Cb -0.33 -3.65 -0.10 0.00 0.56 0.00 0.00 36.38 32.86 2jov s VAL 29 CO 0.33 -0.45 0.95 -1.61 -0.31 0.00 0.00 175.10 174.01 2jov s GLU 30 N -4.47 4.48 1.16 4.82 2.02 -1.26 -1.10 118.70 124.34 2jov s GLU 30 Ca 0.45 1.29 -0.18 0.00 0.02 0.00 0.00 54.97 56.54 2jov s GLU 30 Cb -0.10 -2.64 0.27 0.00 0.10 0.00 0.00 34.13 31.76 2jov s GLU 30 CO 0.38 0.18 1.14 0.96 0.02 0.00 0.00 175.26 177.94 2jov s ILE 31 N -1.75 1.68 0.00 -1.63 -4.36 -1.26 -3.64 121.20 110.23 2jov s ILE 31 Ca 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.92 2jov s ILE 31 Cb -0.17 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.97 2jov s ILE 31 CO 0.21 0.00 0.00 -1.20 0.24 0.00 0.00 174.94 174.19 2jov n SER 32 N -4.58 0.00 -0.30 4.36 7.64 -1.26 -4.65 113.62 114.84 2jov n SER 32 Ca 0.13 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.07 2jov n SER 32 Cb 0.59 -0.10 0.24 0.00 -1.01 0.00 0.00 64.21 63.94 2jov n SER 32 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2jov n LYS 33 N -0.70 1.38 -0.04 1.43 4.81 -1.24 -3.93 118.16 119.87 2jov n LYS 33 Ca 0.00 -0.58 0.01 0.00 -0.87 0.00 0.00 58.31 56.87 2jov n LYS 33 Cb 0.00 -1.22 0.32 0.00 0.02 0.00 0.00 35.03 34.15 2jov n LYS 33 CO 0.00 0.00 0.00 0.11 1.17 0.00 0.00 177.40 178.68 2jov h TRP 34 N 1.03 0.61 -0.05 5.64 5.08 -1.82 -1.73 115.95 124.70 2jov h TRP 34 Ca 0.00 -0.02 -0.12 0.00 1.08 0.00 0.00 58.89 59.83 2jov h TRP 34 Cb 0.23 -0.19 -0.01 0.00 -3.00 0.00 0.00 29.16 26.18 2jov h TRP 34 CO 0.09 0.49 -0.51 0.97 -1.28 0.00 0.00 178.44 178.19 2jov h ILE 35 N 0.61 1.36 0.50 0.12 2.10 -1.99 -2.32 117.51 117.90 2jov h ILE 35 Ca 0.15 -1.77 -0.02 0.00 1.08 0.00 0.00 64.86 64.29 2jov h ILE 35 Cb 0.13 1.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 2jov h ILE 35 CO -0.01 0.52 -0.24 -0.78 -1.08 0.00 0.00 178.15 176.55 2jov h ASP 36 N 0.11 -0.57 -0.36 2.19 3.58 -1.59 -1.64 116.42 118.14 2jov h ASP 36 Ca 0.00 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 2jov h ASP 36 Cb 0.95 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2jov h ASP 36 CO 0.07 -0.22 0.02 -0.26 -2.88 0.00 0.00 179.24 175.98 2jov h PHE 37 N -0.97 0.75 -0.39 0.28 0.04 -1.50 -2.43 116.94 112.72 2jov h PHE 37 Ca -0.07 -0.09 -0.10 0.00 2.80 0.00 0.00 57.97 60.50 2jov h PHE 37 Cb 0.61 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 2jov h PHE 37 CO 0.01 0.70 -0.18 0.66 -0.60 0.00 0.00 178.31 178.89 2jov h SER 38 N 0.68 0.75 -0.28 2.17 4.64 -1.43 -0.50 113.55 119.58 2jov h SER 38 Ca 0.14 -0.25 0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2jov h SER 38 Cb 0.39 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 2jov h SER 38 CO 0.01 0.93 -0.04 0.78 -0.87 0.00 0.00 176.83 177.64 2jov h ASN 39 N 0.66 -0.20 -0.10 4.97 2.35 -0.82 0.13 115.58 122.57 2jov h ASN 39 Ca 0.10 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2jov h ASN 39 Cb 0.67 0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 2jov h ASN 39 CO 0.05 -0.06 0.04 0.58 -1.65 0.00 0.00 177.43 176.38 2jov h VAL 40 N 0.04 1.15 -0.33 2.81 2.07 -1.15 -3.04 116.25 117.80 2jov h VAL 40 Ca 0.14 -0.46 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 2jov h VAL 40 Cb 0.20 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2jov h VAL 40 CO -0.26 0.14 -0.37 -0.07 0.02 0.00 0.00 177.57 177.02 2jov h LEU 41 N -0.00 0.90 -1.77 2.57 3.38 -0.86 -2.56 115.31 116.97 2jov h LEU 41 Ca 0.03 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2jov h LEU 41 Cb 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2jov h LEU 41 CO -0.00 1.20 0.00 0.28 0.09 0.00 0.00 178.44 180.01 2jov h SER 42 N 0.62 0.00 -0.69 -0.43 0.02 -0.80 -0.36 113.55 111.90 2jov h SER 42 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2jov h SER 42 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2jov h SER 42 CO 0.09 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.32 2jov n ARG 43 N -3.07 2.89 -4.03 3.45 1.74 -1.08 -4.87 116.66 111.70 2jov n ARG 43 Ca -0.00 -2.65 -0.34 0.00 -0.77 0.00 0.00 57.85 54.09 2jov n ARG 43 Cb 0.25 -1.59 -0.15 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.13 2.59 -0.16 0.55 2.96 -0.15 -5.06 118.68 118.28 2jov s LEU 44 Ca 0.47 -0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 2jov s LEU 44 Cb 0.26 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 2jov s LEU 44 CO 0.31 -0.04 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.96 2jov s TYR 45 N 1.34 3.03 -0.07 5.38 2.02 -1.26 -4.39 117.35 123.40 2jov s TYR 45 Ca 0.04 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 2jov s TYR 45 Cb -0.14 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 2jov s TYR 45 CO -0.08 -0.06 -0.05 0.54 -1.57 0.00 0.00 175.55 174.33 2jov s VAL 46 N 0.44 3.85 -0.56 0.71 0.11 -0.98 -4.95 120.40 119.02 2jov s VAL 46 Ca -0.03 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.64 2jov s VAL 46 Cb -0.14 -2.59 0.23 0.00 -1.53 0.00 0.00 36.38 32.35 2jov s VAL 46 CO 0.03 0.59 0.62 0.61 -3.33 0.00 0.00 175.10 173.62 2jov n GLY 47 N 2.16 3.97 3.55 6.54 0.00 -1.26 0.04 105.19 120.19 2jov n GLY 47 Ca -0.18 -2.30 -0.01 0.00 0.00 0.00 0.00 46.02 43.53 2jov n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jov s VAL 48 N -1.81 -0.47 -0.28 1.61 0.11 -1.25 -4.93 120.40 113.38 2jov s VAL 48 Ca 0.36 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.12 2jov s VAL 48 Cb 0.12 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2jov s VAL 48 CO -0.07 0.00 1.60 -2.84 -3.33 0.00 0.00 175.10 170.46 2jov s PRO 49 N 2.25 3.67 0.39 1.54 0.02 -1.26 -5.00 135.00 136.61 2jov s PRO 49 Ca -0.06 1.48 0.06 0.00 0.02 0.00 0.00 61.00 62.50 2jov s PRO 49 Cb -0.07 -4.06 -0.07 0.00 0.02 0.00 0.00 34.50 30.32 2jov s PRO 49 CO -0.18 -1.44 0.02 0.95 -0.33 0.00 0.00 177.00 176.02 2jov s THR 50 N 5.54 1.76 0.53 0.99 -4.23 -1.26 -4.73 115.64 114.23 2jov s THR 50 Ca 0.71 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.30 2jov s THR 50 Cb -0.22 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.75 2jov s THR 50 CO 0.30 0.00 0.60 -0.54 -0.54 0.00 0.00 174.62 174.45 2jov s LYS 51 N -3.76 2.39 0.29 3.99 1.02 -1.26 0.74 119.74 123.15 2jov s LYS 51 Ca 0.34 -1.68 -0.30 0.00 0.02 0.00 0.00 55.97 54.36 2jov s LYS 51 Cb 0.09 -2.48 -0.11 0.00 -0.52 0.00 0.00 37.83 34.81 2jov s LYS 51 CO 0.17 -0.63 1.56 0.45 -0.92 0.00 0.00 175.35 175.98 2jov s SER 52 N -4.45 6.41 0.00 2.83 0.15 -1.12 -3.07 113.70 114.45 2jov s SER 52 Ca 0.52 2.92 0.00 0.00 0.70 0.00 0.00 55.95 60.08 2jov s SER 52 Cb -0.05 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2jov s SER 52 CO 0.32 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.49 2jov n GLY 53 N 2.05 1.07 3.77 9.45 0.00 0.48 -4.96 105.19 117.05 2jov n GLY 53 Ca 0.07 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.47 6.42 -0.20 1.61 2.20 -0.99 -4.88 114.94 116.63 2jov s ASN 54 Ca 0.00 0.49 -0.17 0.00 -0.94 0.00 0.00 52.86 52.24 2jov s ASN 54 Cb 0.00 -2.15 -0.04 0.00 -2.00 0.00 0.00 41.25 37.07 2jov s ASN 54 CO 0.00 0.21 0.46 -0.69 -2.94 0.00 0.00 177.10 174.13 2jov s VAL 55 N -0.04 5.15 -0.21 3.54 1.01 -1.26 0.09 120.40 128.67 2jov s VAL 55 Ca 0.15 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2jov s VAL 55 Cb -0.13 -3.78 -0.20 0.00 0.00 0.00 0.00 36.38 32.27 2jov s VAL 55 CO 0.04 0.21 -0.03 1.33 0.00 0.00 0.00 175.10 176.65 2jov n VAL 56 N 4.46 1.58 -4.03 2.92 0.24 0.37 -4.91 118.33 118.95 2jov n VAL 56 Ca -0.07 -0.61 -0.28 0.00 -2.04 0.00 0.00 64.34 61.35 2jov n VAL 56 Cb 0.51 -1.47 -0.17 0.00 -1.47 0.00 0.00 33.84 31.23 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 1.51 3.82 -1.24 0.00 1.02 -1.26 -0.53 119.74 123.06 2jov s LYS 58 Ca 0.03 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.58 2jov s LYS 58 Cb -0.13 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2jov s LYS 58 CO -0.08 0.21 0.97 -1.71 -0.92 0.00 0.00 175.35 173.83 2jov n ASN 59 N 3.68 -2.37 -4.70 2.83 2.85 -0.82 -4.87 115.26 111.86 2jov n ASN 59 Ca -0.17 -0.65 -0.42 0.00 -0.11 0.00 0.00 54.58 53.23 2jov n ASN 59 Cb 0.52 -4.93 -0.03 0.00 1.24 0.00 0.00 39.78 36.59 2jov n ASN 59 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 2jov s ILE 60 N -3.40 2.31 -1.78 -1.44 2.07 -1.10 -1.31 121.20 116.55 2jov s ILE 60 Ca 0.07 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 2jov s ILE 60 Cb -0.03 -3.01 0.00 0.00 0.13 0.00 0.00 42.46 39.55 2jov s ILE 60 CO 0.74 0.00 0.00 0.23 -1.91 0.00 0.00 174.94 174.01 2jov n MET 61 N 5.02 -1.24 -2.94 3.50 2.81 -1.26 -3.34 117.12 119.69 2jov n MET 61 Ca 0.17 1.06 -0.11 0.00 -1.81 0.00 0.00 57.70 57.01 2jov n MET 61 Cb 0.37 -5.34 0.01 0.00 -0.71 0.00 0.00 33.22 27.55 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 -0.89 -7.68 0.08 7.83 4.05 -0.43 -5.00 115.26 113.22 2jov n ASN 62 Ca -0.18 0.42 0.00 0.00 0.45 0.00 0.00 54.58 55.27 2jov n ASN 62 Cb 0.58 -4.99 0.00 0.00 1.23 0.00 0.00 39.78 36.61 2jov n ASN 62 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 2jov n THR 63 N -0.38 0.05 0.00 -0.44 -2.24 -1.21 -5.05 114.28 105.01 2jov n THR 63 Ca 0.09 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2jov n THR 63 Cb 0.49 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2jov n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jov n GLY 64 N 1.62 0.99 3.72 3.38 0.00 -1.26 -5.03 105.19 108.61 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 -1.10 4.69 -0.33 1.61 1.01 -1.26 -4.66 120.40 120.36 2jov s VAL 65 Ca 0.00 2.05 -0.11 0.00 0.00 0.00 0.00 61.98 63.93 2jov s VAL 65 Cb 0.00 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.06 2jov s VAL 65 CO 0.00 0.23 0.19 -1.81 0.00 0.00 0.00 175.10 173.71 2jov s ASP 66 N 0.57 5.74 -0.38 3.32 1.01 -1.26 -1.94 116.67 123.73 2jov s ASP 66 Ca 0.50 -0.58 -0.29 0.00 0.71 0.00 0.00 52.55 52.89 2jov s ASP 66 Cb -0.22 -2.05 0.02 0.00 1.01 0.00 0.00 42.92 41.68 2jov s ASP 66 CO 0.29 -0.24 1.11 -0.63 0.21 0.00 0.00 175.17 175.90 2jov s ILE 67 N 1.64 4.39 -0.02 0.77 -1.09 0.31 -2.81 121.20 124.38 2jov s ILE 67 Ca 0.05 1.54 0.07 0.00 -2.23 0.00 0.00 60.65 60.07 2jov s ILE 67 Cb -0.18 -4.48 -0.02 0.00 -1.58 0.00 0.00 42.46 36.20 2jov s ILE 67 CO 0.08 -0.68 -0.23 0.27 -1.23 0.00 0.00 174.94 173.15 2jov s ILE 68 N 3.97 2.35 0.14 2.92 -4.36 -0.15 -0.48 121.20 125.59 2jov s ILE 68 Ca 0.47 -1.05 -0.11 0.00 -0.26 0.00 0.00 60.65 59.70 2jov s ILE 68 Cb -0.10 -1.86 -0.06 0.00 1.25 0.00 0.00 42.46 41.68 2jov s ILE 68 CO 0.22 0.55 0.48 0.00 0.24 0.00 0.00 174.94 176.42 2jov n THR 70 N 0.61 1.11 -3.65 0.00 5.66 -1.17 -0.39 114.28 116.44 2jov n THR 70 Ca -0.05 -1.14 -0.27 0.00 -3.05 0.00 0.00 64.05 59.54 2jov n THR 70 Cb 0.52 0.41 -0.03 0.00 -1.55 0.00 0.00 70.33 69.69 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 -1.22 3.52 -0.42 1.09 -0.14 -1.26 -4.49 119.74 116.82 2jov s LYS 71 Ca 0.05 -0.33 -0.09 0.00 -1.36 0.00 0.00 55.97 54.24 2jov s LYS 71 Cb 0.04 -2.81 0.08 0.00 -1.68 0.00 0.00 37.83 33.46 2jov s LYS 71 CO 0.01 0.37 0.26 -0.80 -0.76 0.00 0.00 175.35 174.43 2jov s ASN 72 N -3.27 5.65 -0.03 2.83 0.02 -1.26 -2.78 114.94 116.10 2jov s ASN 72 Ca 0.39 -1.50 -0.23 0.00 -1.02 0.00 0.00 52.86 50.50 2jov s ASN 72 Cb -0.11 -1.99 -0.04 0.00 0.02 0.00 0.00 41.25 39.13 2jov s ASN 72 CO 0.30 -0.54 0.69 -0.76 0.02 0.00 0.00 177.10 176.81 2jov s LEU 73 N 1.43 4.37 -0.44 0.60 1.02 0.23 -4.96 118.68 120.93 2jov s LEU 73 Ca 0.03 1.23 -0.28 0.00 0.02 0.00 0.00 54.13 55.13 2jov s LEU 73 Cb -0.23 -3.07 -0.01 0.00 0.02 0.00 0.00 46.19 42.89 2jov s LEU 73 CO 0.02 -0.04 1.76 -2.16 0.02 0.00 0.00 176.35 175.95 2jov s PRO 74 N 0.39 3.14 0.00 1.29 0.04 -1.26 -4.32 135.00 134.27 2jov s PRO 74 Ca 0.36 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2jov s PRO 74 Cb -0.18 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2jov s PRO 74 CO 0.19 -2.10 0.29 1.17 0.04 0.00 0.00 177.00 176.59 2jov n LYS 75 N 8.63 0.00 0.00 4.56 3.00 -1.26 -4.59 118.16 128.49 2jov n LYS 75 Ca 0.21 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 2jov n LYS 75 Cb 0.49 -0.93 0.00 0.00 0.00 0.00 0.00 35.03 34.59 2jov n LYS 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jov n ASP 76 N -1.19 0.44 0.00 3.14 8.00 -1.26 -4.99 116.55 120.69 2jov n ASP 76 Ca 0.00 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2jov n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2jov n ASP 76 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2jov n SER 77 N -0.04 0.00 -3.92 -2.24 3.41 -1.26 -4.49 113.62 105.08 2jov n SER 77 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2jov n SER 77 Cb 0.22 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.05 2jov n SER 77 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jov s LEU 78 N 0.00 2.05 0.07 1.04 1.43 -1.26 -5.16 118.68 116.85 2jov s LEU 78 Ca 0.00 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 2jov s LEU 78 Cb 0.00 0.15 -0.03 0.00 0.03 0.00 0.00 46.19 46.34 2jov s LEU 78 CO 0.00 -0.19 -0.23 -0.70 0.23 0.00 0.00 176.35 175.46 2jov s GLU 79 N -0.88 1.39 0.00 1.70 2.12 -1.26 -5.09 118.70 116.67 2jov s GLU 79 Ca -0.10 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.15 2jov s GLU 79 Cb -0.06 -1.61 0.00 0.00 0.26 0.00 0.00 34.13 32.72 2jov s GLU 79 CO -0.00 0.40 0.87 1.58 -0.54 0.00 0.00 175.26 177.57 2jov n HIS 80 N 1.50 0.00 0.00 5.30 -0.00 -1.26 -4.76 115.22 116.00 2jov n HIS 80 Ca -0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.00 2jov n HIS 80 Cb 0.53 -0.37 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 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 -1.77 0.00 0.00 1.57 8.25 -1.26 -4.05 115.22 117.96 2jov n HIS 81 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jov n HIS 81 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2jov n HIS 81 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jov n HIS 82 N 0.00 -1.16 -3.63 4.41 -0.00 -1.26 -5.15 115.22 108.43 2jov n HIS 82 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 2jov n HIS 82 Cb 0.00 0.23 -0.06 0.00 -0.12 0.00 0.00 29.99 30.04 2jov n HIS 82 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jov s HIS 83 N -0.71 -0.35 -0.20 1.57 2.46 -1.26 -5.12 115.29 111.69 2jov s HIS 83 Ca 0.00 0.79 -0.29 0.00 0.47 0.00 0.00 55.06 56.04 2jov s HIS 83 Cb 0.00 0.41 -0.04 0.00 -0.13 0.00 0.00 32.58 32.82 2jov s HIS 83 CO 0.00 -0.20 1.89 -1.58 -2.47 0.00 0.00 174.74 172.37 2jov s HIS 84 N -0.17 1.63 -1.20 3.88 2.46 -1.26 -5.21 115.29 115.42 2jov s HIS 84 Ca 0.03 0.39 0.10 0.00 0.47 0.00 0.00 55.06 56.05 2jov s HIS 84 Cb -0.04 -4.04 0.08 0.00 -0.13 0.00 0.00 32.58 28.45 2jov s HIS 84 CO -0.06 -3.72 0.80 1.58 -2.47 0.00 0.00 174.74 170.87