#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rln n SER 22 N 0.00 0.00 -0.02 6.43 7.64 -1.26 -4.99 113.62 121.42 2rln n SER 22 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2rln n SER 22 Cb 0.00 0.00 0.54 0.00 -1.01 0.00 0.00 64.21 63.74 2rln n SER 22 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2rln n SER 23 N 0.00 0.20 -4.75 6.43 7.64 -1.26 -3.66 113.62 118.22 2rln n SER 23 Ca 0.00 0.09 -0.33 0.00 1.01 0.00 0.00 58.87 59.63 2rln n SER 23 Cb 0.00 -0.23 0.06 0.00 -1.01 0.00 0.00 64.21 63.03 2rln n SER 23 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2rln s ASN 24 N -2.88 4.80 0.27 6.43 2.20 -1.26 -4.78 114.94 119.71 2rln s ASN 24 Ca 0.17 2.13 -0.01 0.00 -0.94 0.00 0.00 52.86 54.21 2rln s ASN 24 Cb 0.19 -2.57 0.58 0.00 -2.00 0.00 0.00 41.25 37.45 2rln s ASN 24 CO 0.56 -1.85 1.70 0.22 -2.94 0.00 0.00 177.10 174.79 2rln h TYR 25 N -0.05 0.47 -0.03 1.54 3.20 -1.98 -1.42 116.97 118.69 2rln h TYR 25 Ca -0.47 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 2rln h TYR 25 Cb 1.26 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 2rln h TYR 25 CO 0.52 -0.05 0.01 0.00 -1.64 0.00 0.00 178.16 177.00 2rln h ASN 27 N -0.12 0.55 0.63 0.00 -0.26 -1.74 -1.14 115.58 113.50 2rln h ASN 27 Ca 0.01 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.75 2rln h ASN 27 Cb 0.18 -0.08 0.01 0.00 -1.06 0.00 0.00 38.32 37.36 2rln h ASN 27 CO -0.00 0.36 -0.30 1.56 -1.06 0.00 0.00 177.43 177.99 2rln h GLN 28 N 0.68 -0.81 -0.62 0.81 4.20 -1.10 -2.99 115.11 115.29 2rln h GLN 28 Ca 0.29 0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.99 2rln h GLN 28 Cb 0.16 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 2rln h GLN 28 CO -0.17 -0.49 0.12 0.52 -0.67 0.00 0.00 178.83 178.13 2rln h MET 29 N -1.05 0.99 -0.86 1.46 2.86 -0.86 -0.04 114.93 117.43 2rln h MET 29 Ca -0.09 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 2rln h MET 29 Cb 0.69 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 2rln h MET 29 CO 0.14 0.90 0.50 0.52 1.06 0.00 0.00 176.91 180.03 2rln h MET 30 N 0.93 1.17 0.10 1.72 2.86 -1.30 0.14 114.93 120.56 2rln h MET 30 Ca 0.19 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2rln h MET 30 Cb 0.38 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2rln h MET 30 CO 0.01 0.83 -0.05 -0.22 1.06 0.00 0.00 176.91 178.54 2rln h LYS 31 N 1.19 -0.12 -0.97 1.72 1.63 -1.35 0.44 116.57 119.11 2rln h LYS 31 Ca 0.31 0.01 0.12 0.00 -0.85 0.00 0.00 60.65 60.24 2rln h LYS 31 Cb -0.02 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.55 2rln h LYS 31 CO -0.05 0.37 0.59 1.03 -3.45 0.00 0.00 179.45 177.94 2rln h SER 32 N -0.71 0.86 -0.18 4.20 0.87 -0.76 -1.46 113.55 116.36 2rln h SER 32 Ca -0.01 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2rln h SER 32 Cb 0.55 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2rln h SER 32 CO 0.02 0.45 0.00 0.54 -0.53 0.00 0.00 176.83 177.31 2rln n ARG 33 N -4.66 1.66 -3.15 2.24 5.12 0.48 -4.90 116.66 113.45 2rln n ARG 33 Ca 0.18 -0.76 -0.18 0.00 -1.93 0.00 0.00 57.85 55.16 2rln n ARG 33 Cb 0.36 -1.34 0.05 0.00 -1.16 0.00 0.00 32.46 30.36 2rln n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2rln n ASN 34 N 0.11 -5.21 -0.10 0.55 4.05 -0.55 -4.93 115.26 109.19 2rln n ASN 34 Ca 0.07 -0.34 -0.11 0.00 0.45 0.00 0.00 54.58 54.65 2rln n ASN 34 Cb 0.28 -3.89 -0.14 0.00 1.23 0.00 0.00 39.78 37.26 2rln n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2rln n LEU 35 N -3.61 0.65 -0.23 1.20 4.32 0.11 -4.63 117.00 114.80 2rln n LEU 35 Ca -0.03 -0.03 0.09 0.00 -0.02 0.00 0.00 56.01 56.02 2rln n LEU 35 Cb 0.56 0.18 0.15 0.00 -1.62 0.00 0.00 43.42 42.69 2rln n LEU 35 CO 0.44 0.56 0.50 0.35 -1.22 0.00 0.00 177.39 178.02 2rln n THR 36 N -2.81 1.87 0.09 -5.08 -2.24 -1.00 -4.35 114.28 100.76 2rln n THR 36 Ca -0.33 -2.40 -0.07 0.00 -2.27 0.00 0.00 64.05 58.98 2rln n THR 36 Cb 1.08 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 2rln n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2rln h LYS 37 N 0.25 0.08 0.00 -0.78 1.57 -1.82 -3.36 116.57 112.50 2rln h LYS 37 Ca -0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2rln h LYS 37 Cb 1.03 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2rln h LYS 37 CO 0.00 0.91 -0.05 -0.40 -0.57 0.00 0.00 179.45 179.35 2rln n ASP 38 N -3.56 1.57 -3.67 0.86 5.68 -1.26 -5.07 116.55 111.10 2rln n ASP 38 Ca -0.02 -2.11 0.01 0.00 -0.50 0.00 0.00 54.79 52.17 2rln n ASP 38 Cb 0.83 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 2rln n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rln s ARG 39 N -1.23 0.56 -0.24 0.11 1.70 -1.26 -5.12 118.95 113.48 2rln s ARG 39 Ca 0.08 -0.34 -0.01 0.00 -0.47 0.00 0.00 55.73 54.99 2rln s ARG 39 Cb 0.07 0.17 0.02 0.00 -0.57 0.00 0.00 34.95 34.64 2rln s ARG 39 CO 0.01 -0.26 -0.08 0.00 -1.08 0.00 0.00 175.30 173.89 2rln s LYS 41 N 1.33 4.29 0.21 0.00 2.20 -1.26 -5.00 119.74 121.52 2rln s LYS 41 Ca 0.01 0.85 -0.10 0.00 -0.36 0.00 0.00 55.97 56.38 2rln s LYS 41 Cb -0.16 -3.55 0.31 0.00 -1.51 0.00 0.00 37.83 32.92 2rln s LYS 41 CO -0.05 -0.22 1.69 -1.35 -0.36 0.00 0.00 175.35 175.05 2rln h PRO 42 N 7.28 0.21 -3.49 4.03 0.11 -1.98 -3.43 132.00 134.73 2rln h PRO 42 Ca -0.32 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.63 2rln h PRO 42 Cb 1.15 -0.05 -0.21 0.00 0.11 0.00 0.00 31.00 32.00 2rln h PRO 42 CO 0.80 0.14 -0.48 0.14 -0.21 0.00 0.00 178.00 178.39 2rln s VAL 43 N -6.11 0.08 -0.13 3.15 -7.23 -1.26 -1.11 120.40 107.79 2rln s VAL 43 Ca -0.13 -0.67 -0.26 0.00 -1.81 0.00 0.00 61.98 59.11 2rln s VAL 43 Cb 0.18 -0.44 0.06 0.00 0.56 0.00 0.00 36.38 36.75 2rln s VAL 43 CO 0.74 -0.37 0.63 0.21 -0.31 0.00 0.00 175.10 176.00 2rln s ASN 44 N -1.37 -0.62 -0.07 4.85 2.47 -0.38 -5.01 114.94 114.81 2rln s ASN 44 Ca -0.15 0.90 0.05 0.00 0.42 0.00 0.00 52.86 54.08 2rln s ASN 44 Cb -0.07 0.84 -0.01 0.00 -1.45 0.00 0.00 41.25 40.56 2rln s ASN 44 CO 0.02 -0.43 -0.23 -0.89 -3.72 0.00 0.00 177.10 171.85 2rln s THR 45 N -0.57 2.26 -0.09 -5.21 2.01 -1.26 -0.42 115.64 112.36 2rln s THR 45 Ca -0.07 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 60.95 2rln s THR 45 Cb -0.02 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 2rln s THR 45 CO 0.06 0.56 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.12 2rln s PHE 46 N -0.06 2.93 -0.18 4.92 0.08 -0.29 -4.97 117.98 120.41 2rln s PHE 46 Ca -0.06 -0.10 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 2rln s PHE 46 Cb -0.15 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2rln s PHE 46 CO 0.05 0.22 0.01 0.08 -0.10 0.00 0.00 175.22 175.48 2rln s VAL 47 N -0.51 4.22 -0.99 -0.44 1.01 -1.26 -0.79 120.40 121.63 2rln s VAL 47 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2rln s VAL 47 Cb -0.12 -2.89 0.32 0.00 0.00 0.00 0.00 36.38 33.69 2rln s VAL 47 CO 0.02 0.45 1.68 1.41 0.00 0.00 0.00 175.10 178.66 2rln n HIS 48 N 3.86 2.80 -4.20 5.22 -0.00 0.43 -4.95 115.22 118.39 2rln n HIS 48 Ca -0.17 -2.71 -0.12 0.00 -0.00 0.00 0.00 57.72 54.73 2rln n HIS 48 Cb 0.52 -1.14 -0.10 0.00 -0.00 0.00 0.00 29.99 29.27 2rln n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2rln s GLU 49 N -3.99 1.01 0.62 -0.41 0.41 -1.26 -4.61 118.70 110.46 2rln s GLU 49 Ca 0.39 -1.48 -0.18 0.00 -0.41 0.00 0.00 54.97 53.29 2rln s GLU 49 Cb 0.17 -0.04 -0.02 0.00 -1.78 0.00 0.00 34.13 32.47 2rln s GLU 49 CO -0.09 -0.18 1.22 -1.54 -0.49 0.00 0.00 175.26 174.18 2rln s SER 50 N -3.11 4.99 0.17 -0.19 1.04 -1.26 -4.88 113.70 110.46 2rln s SER 50 Ca 0.23 2.41 -0.15 0.00 0.48 0.00 0.00 55.95 58.93 2rln s SER 50 Cb 0.07 -2.60 0.09 0.00 0.10 0.00 0.00 66.02 63.68 2rln s SER 50 CO 0.02 -1.73 1.78 0.25 0.98 0.00 0.00 173.24 174.54 2rln h LEU 51 N 0.68 0.32 -1.41 2.42 5.85 -2.00 -2.34 115.31 118.83 2rln h LEU 51 Ca -0.50 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 2rln h LEU 51 Cb 1.30 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2rln h LEU 51 CO 0.54 0.23 0.08 0.00 -0.34 0.00 0.00 178.44 178.95 2rln h ALA 52 N 1.24 1.53 -0.15 1.25 0.00 -1.98 0.00 119.26 121.14 2rln h ALA 52 Ca 0.19 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2rln h ALA 52 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2rln h ALA 52 CO -0.13 0.35 -0.45 -0.44 0.00 0.00 0.00 179.25 178.58 2rln h ASP 53 N 0.47 0.40 -0.12 0.00 3.32 -1.82 -0.23 116.42 118.44 2rln h ASP 53 Ca 0.11 -0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.80 2rln h ASP 53 Cb 0.18 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.63 2rln h ASP 53 CO -0.00 0.79 -0.63 0.58 -1.72 0.00 0.00 179.24 178.26 2rln h VAL 54 N 0.30 1.33 0.00 -1.35 2.07 -0.90 -3.07 116.25 114.63 2rln h VAL 54 Ca 0.02 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 2rln h VAL 54 Cb 0.91 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2rln h VAL 54 CO 0.08 0.58 -0.11 1.56 0.02 0.00 0.00 177.57 179.70 2rln h GLN 55 N 0.30 0.00 0.00 1.57 4.20 -0.83 -1.89 115.11 118.45 2rln h GLN 55 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2rln h GLN 55 Cb 1.27 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 2rln h GLN 55 CO 0.13 0.11 -0.02 0.00 -0.67 0.00 0.00 178.83 178.38 2rln h ALA 56 N 1.89 1.17 0.00 3.87 0.00 -0.93 -2.56 119.26 122.70 2rln h ALA 56 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2rln h ALA 56 Cb 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2rln h ALA 56 CO 0.01 0.02 -0.07 0.28 0.00 0.00 0.00 179.25 179.50 2rln h VAL 57 N 0.00 0.46 0.00 0.00 2.07 -1.40 -2.63 116.25 114.74 2rln h VAL 57 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2rln h VAL 57 Cb 0.09 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2rln h VAL 57 CO 0.00 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.66 2rln n SER 59 N -1.22 1.67 0.00 0.00 3.41 -0.99 -5.01 113.62 111.48 2rln n SER 59 Ca 0.05 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 2rln n SER 59 Cb 0.07 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2rln n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rln n GLN 60 N -0.97 1.65 -2.31 4.33 6.02 -0.39 -4.99 117.38 120.71 2rln n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 2rln n GLN 60 Cb 0.69 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.93 2rln n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2rln s LYS 61 N 4.22 3.74 0.09 -1.09 2.47 -1.09 -4.87 119.74 123.22 2rln s LYS 61 Ca 0.00 1.23 -0.30 0.00 -1.56 0.00 0.00 55.97 55.34 2rln s LYS 61 Cb 0.00 -3.98 -0.06 0.00 -1.46 0.00 0.00 37.83 32.33 2rln s LYS 61 CO 0.00 -1.35 1.15 1.21 0.16 0.00 0.00 175.35 176.52 2rln s ASN 62 N 3.66 7.16 0.16 1.43 3.04 -1.26 -0.06 114.94 129.07 2rln s ASN 62 Ca 0.62 2.00 -0.02 0.00 0.04 0.00 0.00 52.86 55.50 2rln s ASN 62 Cb -0.18 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.91 2rln s ASN 62 CO 0.28 -0.38 0.11 0.68 -3.04 0.00 0.00 177.10 174.75 2rln s VAL 63 N 0.70 0.07 0.34 -5.21 -7.23 0.30 -4.91 120.40 104.45 2rln s VAL 63 Ca 0.55 -1.88 -0.22 0.00 -1.81 0.00 0.00 61.98 58.62 2rln s VAL 63 Cb -0.29 -2.17 -0.10 0.00 0.56 0.00 0.00 36.38 34.39 2rln s VAL 63 CO 0.31 -0.30 0.88 0.00 -0.31 0.00 0.00 175.10 175.68 2rln s ALA 64 N -4.07 3.21 0.60 1.32 0.00 -1.26 -2.89 121.76 118.67 2rln s ALA 64 Ca 0.28 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 2rln s ALA 64 Cb 0.07 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 2rln s ALA 64 CO 0.05 0.21 0.95 0.00 0.00 0.00 0.00 175.76 176.96 2rln h LYS 66 N -0.24 0.10 -0.00 0.00 1.57 -1.92 0.20 116.57 116.27 2rln h LYS 66 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2rln h LYS 66 Cb 1.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2rln h LYS 66 CO 0.62 0.06 -0.02 0.27 -0.57 0.00 0.00 179.45 179.81 2rln n ASN 67 N -4.41 0.26 0.00 0.86 0.23 -1.26 -4.91 115.26 106.03 2rln n ASN 67 Ca 0.10 -0.83 0.00 0.00 -0.53 0.00 0.00 54.58 53.32 2rln n ASN 67 Cb 0.56 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2rln n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2rln n GLY 68 N 1.12 2.77 3.73 4.83 0.00 0.69 -5.06 105.19 113.28 2rln n GLY 68 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2rln n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rln s GLN 69 N -0.91 1.93 -0.28 1.61 -1.52 -1.26 -4.59 119.66 114.64 2rln s GLN 69 Ca 0.00 1.38 0.10 0.00 -1.95 0.00 0.00 55.36 54.89 2rln s GLN 69 Cb 0.00 -1.84 0.54 0.00 -0.22 0.00 0.00 33.01 31.49 2rln s GLN 69 CO 0.00 -1.92 1.52 0.25 -0.25 0.00 0.00 175.29 174.89 2rln n THR 70 N -3.51 2.58 -1.19 -0.19 -2.24 -1.26 0.47 114.28 108.94 2rln n THR 70 Ca 0.11 -2.38 -0.14 0.00 -2.27 0.00 0.00 64.05 59.37 2rln n THR 70 Cb 0.52 -0.32 0.23 0.00 -2.10 0.00 0.00 70.33 68.66 2rln n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2rln n ASN 71 N -0.92 3.96 -4.89 3.42 6.94 -1.26 -4.73 115.26 117.79 2rln n ASN 71 Ca 0.33 -3.49 -0.29 0.00 -0.02 0.00 0.00 54.58 51.12 2rln n ASN 71 Cb 1.09 -0.77 -0.04 0.00 -2.36 0.00 0.00 39.78 37.69 2rln n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2rln s TYR 73 N -1.61 0.05 -0.12 0.00 1.51 -0.17 -0.54 117.35 116.47 2rln s TYR 73 Ca 0.33 0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.38 2rln s TYR 73 Cb -0.12 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 2rln s TYR 73 CO 0.27 -0.02 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.54 2rln s GLN 74 N 0.18 3.37 0.29 -0.62 0.74 0.91 -1.67 119.66 122.87 2rln s GLN 74 Ca -0.02 -0.45 -0.29 0.00 0.05 0.00 0.00 55.36 54.65 2rln s GLN 74 Cb -0.02 -2.88 -0.10 0.00 1.10 0.00 0.00 33.01 31.10 2rln s GLN 74 CO -0.01 0.46 1.34 -1.54 -0.55 0.00 0.00 175.29 174.99 2rln s SER 75 N -0.22 6.77 0.22 6.67 1.04 -0.62 -2.66 113.70 124.90 2rln s SER 75 Ca 0.05 2.63 -0.08 0.00 0.48 0.00 0.00 55.95 59.02 2rln s SER 75 Cb -0.13 -2.64 0.18 0.00 0.10 0.00 0.00 66.02 63.54 2rln s SER 75 CO 0.02 -0.57 1.86 1.88 0.98 0.00 0.00 173.24 177.42 2rln h TYR 76 N 4.13 1.10 -1.82 5.02 0.05 -1.96 -3.44 116.97 120.05 2rln h TYR 76 Ca -0.47 -0.00 -0.53 0.00 0.05 0.00 0.00 58.73 57.77 2rln h TYR 76 Cb 1.22 -0.36 -0.06 0.00 1.01 0.00 0.00 36.73 38.54 2rln h TYR 76 CO 0.58 0.74 -0.50 0.45 -1.05 0.00 0.00 178.16 178.38 2rln s SER 77 N -6.07 4.85 0.51 3.88 0.15 -1.26 -5.07 113.70 110.68 2rln s SER 77 Ca -0.13 -0.72 -0.16 0.00 0.70 0.00 0.00 55.95 55.64 2rln s SER 77 Cb 0.16 -0.76 -0.08 0.00 -1.71 0.00 0.00 66.02 63.63 2rln s SER 77 CO 0.81 -0.36 0.97 0.42 1.20 0.00 0.00 173.24 176.28 2rln s THR 78 N -2.41 4.55 0.09 6.45 -4.23 -1.26 -4.43 115.64 114.39 2rln s THR 78 Ca 0.40 1.18 0.05 0.00 -1.18 0.00 0.00 61.69 62.14 2rln s THR 78 Cb -0.03 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 2rln s THR 78 CO 0.24 -0.68 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.47 2rln s MET 79 N -4.05 0.87 -0.13 3.99 -1.94 0.79 -4.79 119.30 114.04 2rln s MET 79 Ca 0.58 -1.05 -0.29 0.00 -1.71 0.00 0.00 55.69 53.22 2rln s MET 79 Cb -0.10 -0.79 -0.03 0.00 2.01 0.00 0.00 34.83 35.92 2rln s MET 79 CO 0.31 0.16 1.48 0.45 -0.01 0.00 0.00 175.02 177.41 2rln s SER 80 N -2.02 6.73 0.10 3.03 0.15 -1.26 -1.10 113.70 119.32 2rln s SER 80 Ca 0.02 1.88 0.02 0.00 0.70 0.00 0.00 55.95 58.57 2rln s SER 80 Cb -0.08 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2rln s SER 80 CO 0.02 -0.92 -0.07 0.27 1.20 0.00 0.00 173.24 173.74 2rln s ILE 81 N 4.02 0.70 -0.13 6.45 -4.36 0.52 -0.43 121.20 127.97 2rln s ILE 81 Ca 0.65 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 2rln s ILE 81 Cb -0.27 -1.61 0.02 0.00 1.25 0.00 0.00 42.46 41.86 2rln s ILE 81 CO 0.23 -0.83 -0.12 -0.89 0.24 0.00 0.00 174.94 173.57 2rln s THR 82 N -3.44 1.38 -0.08 8.37 2.01 0.03 -1.43 115.64 122.49 2rln s THR 82 Ca 0.10 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.41 2rln s THR 82 Cb 0.04 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 2rln s THR 82 CO -0.04 0.43 0.49 -1.81 -0.69 0.00 0.00 174.62 172.99 2rln s ASP 83 N 1.52 6.75 -0.20 3.53 1.11 0.53 -1.13 116.67 128.79 2rln s ASP 83 Ca 0.04 0.90 -0.00 0.00 0.18 0.00 0.00 52.55 53.67 2rln s ASP 83 Cb -0.13 -2.29 0.01 0.00 1.07 0.00 0.00 42.92 41.58 2rln s ASP 83 CO -0.09 0.07 -0.15 0.00 1.18 0.00 0.00 175.17 176.18 2rln s ARG 85 N 1.33 1.22 0.33 0.00 3.52 -0.82 -1.26 118.95 123.27 2rln s ARG 85 Ca 0.04 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.06 2rln s ARG 85 Cb -0.14 -1.08 -0.11 0.00 -1.56 0.00 0.00 34.95 32.05 2rln s ARG 85 CO -0.10 0.03 1.57 0.39 -0.81 0.00 0.00 175.30 176.37 2rln n GLU 86 N 3.71 2.72 -1.68 5.12 1.02 -0.27 -0.20 120.64 131.07 2rln n GLU 86 Ca -0.22 0.96 -0.29 0.00 -0.02 0.00 0.00 57.16 57.59 2rln n GLU 86 Cb 0.52 -2.73 0.13 0.00 -0.02 0.00 0.00 31.44 29.34 2rln n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2rln s THR 87 N -0.42 1.99 -1.47 2.62 -4.23 -0.83 -4.83 115.64 108.46 2rln s THR 87 Ca 0.60 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.35 2rln s THR 87 Cb -0.48 -2.85 0.45 0.00 1.34 0.00 0.00 72.50 70.95 2rln s THR 87 CO 0.54 0.00 1.81 0.61 -0.54 0.00 0.00 174.62 177.05 2rln n GLY 88 N -2.69 -1.07 0.43 3.99 0.00 -1.26 -2.88 105.19 101.71 2rln n GLY 88 Ca 0.08 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.06 2rln n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rln n SER 89 N -1.26 1.78 -4.73 1.61 3.41 -1.26 -5.00 113.62 108.16 2rln n SER 89 Ca 0.12 -1.39 -0.42 0.00 -0.26 0.00 0.00 58.87 56.92 2rln n SER 89 Cb 0.19 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 2rln n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2rln s SER 90 N -1.70 6.83 -0.19 4.04 0.15 -1.14 -4.97 113.70 116.71 2rln s SER 90 Ca 0.14 2.43 -0.11 0.00 0.70 0.00 0.00 55.95 59.12 2rln s SER 90 Cb 0.13 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.89 2rln s SER 90 CO 0.34 -0.60 0.47 -0.75 1.20 0.00 0.00 173.24 173.89 2rln s LYS 91 N 0.21 0.46 0.35 5.44 2.20 -1.20 -4.93 119.74 122.28 2rln s LYS 91 Ca 0.60 0.87 -0.27 0.00 -0.36 0.00 0.00 55.97 56.81 2rln s LYS 91 Cb -0.38 0.02 -0.12 0.00 -1.51 0.00 0.00 37.83 35.84 2rln s LYS 91 CO 0.37 -0.15 1.20 0.98 -0.36 0.00 0.00 175.35 177.38 2rln n TYR 92 N 4.23 1.92 1.76 4.03 9.36 -1.26 -0.15 117.16 137.05 2rln n TYR 92 Ca -0.22 0.57 0.15 0.00 3.32 0.00 0.00 57.90 61.72 2rln n TYR 92 Cb 0.56 -2.35 0.76 0.00 -0.63 0.00 0.00 39.34 37.67 2rln n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2rln n PRO 93 N 0.45 1.25 -2.80 2.98 -0.04 -1.26 -4.96 135.00 130.62 2rln n PRO 93 Ca 0.06 -0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 62.69 2rln n PRO 93 Cb 0.36 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 2rln n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2rln n ASN 94 N -0.52 6.01 -4.76 3.54 3.02 0.79 -4.64 115.26 118.69 2rln n ASN 94 Ca 0.21 -3.32 -0.37 0.00 -0.03 0.00 0.00 54.58 51.07 2rln n ASN 94 Cb 0.22 -1.34 0.02 0.00 -0.61 0.00 0.00 39.78 38.07 2rln n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rln s ALA 96 N -1.45 -0.05 0.11 0.00 0.00 -1.26 0.15 121.76 119.26 2rln s ALA 96 Ca 0.68 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.97 2rln s ALA 96 Cb -0.34 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2rln s ALA 96 CO 0.40 -0.07 -0.19 0.71 0.00 0.00 0.00 175.76 176.61 2rln s TYR 97 N 0.52 1.72 -0.17 0.00 1.51 -1.26 -1.97 117.35 117.70 2rln s TYR 97 Ca -0.04 -0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 55.49 2rln s TYR 97 Cb -0.06 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 2rln s TYR 97 CO -0.02 0.22 0.12 0.21 -1.11 0.00 0.00 175.55 174.96 2rln s LYS 98 N -2.14 3.89 -0.22 -0.62 2.20 0.73 -4.83 119.74 118.75 2rln s LYS 98 Ca 0.08 -0.22 -0.08 0.00 -0.36 0.00 0.00 55.97 55.39 2rln s LYS 98 Cb -0.09 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 2rln s LYS 98 CO 0.05 0.45 0.09 0.99 -0.36 0.00 0.00 175.35 176.56 2rln s THR 99 N -0.10 4.77 -0.14 3.43 2.01 -1.26 -1.95 115.64 122.40 2rln s THR 99 Ca 0.09 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.06 2rln s THR 99 Cb -0.12 -3.19 0.04 0.00 0.01 0.00 0.00 72.50 69.24 2rln s THR 99 CO 0.00 0.39 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.39 2rln s THR 100 N 0.92 0.96 0.01 -0.82 2.01 -0.48 -4.99 115.64 113.25 2rln s THR 100 Ca 0.05 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.44 2rln s THR 100 Cb -0.14 -1.11 -0.06 0.00 0.01 0.00 0.00 72.50 71.20 2rln s THR 100 CO 0.03 0.19 0.48 -1.58 -0.69 0.00 0.00 174.62 173.04 2rln s GLN 101 N 1.71 4.08 0.24 4.92 2.00 -1.26 -0.35 119.66 131.00 2rln s GLN 101 Ca 0.02 0.53 -0.19 0.00 -2.00 0.00 0.00 55.36 53.73 2rln s GLN 101 Cb -0.14 -3.26 0.02 0.00 0.80 0.00 0.00 33.01 30.43 2rln s GLN 101 CO -0.08 0.59 0.62 0.00 -0.50 0.00 0.00 175.29 175.93 2rln s ALA 102 N -0.84 -1.04 -0.16 1.58 0.00 -0.51 -4.99 121.76 115.80 2rln s ALA 102 Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2rln s ALA 102 Cb -0.17 0.89 0.03 0.00 0.00 0.00 0.00 23.12 23.87 2rln s ALA 102 CO 0.15 -0.92 -0.12 -0.80 0.00 0.00 0.00 175.76 174.07 2rln s ASN 103 N -2.90 2.90 0.19 0.00 0.01 -1.26 -0.35 114.94 113.52 2rln s ASN 103 Ca 0.11 -0.62 -0.17 0.00 -0.71 0.00 0.00 52.86 51.48 2rln s ASN 103 Cb -0.03 -1.18 0.03 0.00 0.41 0.00 0.00 41.25 40.48 2rln s ASN 103 CO 0.03 -0.09 0.51 -1.59 -1.51 0.00 0.00 177.10 174.44 2rln s LYS 104 N 1.47 1.35 0.26 -0.60 -2.85 -0.26 -4.77 119.74 114.34 2rln s LYS 104 Ca 0.03 -0.86 -0.29 0.00 -1.00 0.00 0.00 55.97 53.84 2rln s LYS 104 Cb -0.14 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.05 2rln s LYS 104 CO -0.10 -0.57 1.17 -1.01 0.10 0.00 0.00 175.35 174.94 2rln s HIS 105 N -3.87 3.43 0.03 1.78 3.76 -1.26 -0.15 115.29 119.02 2rln s HIS 105 Ca 0.09 1.56 0.02 0.00 -0.15 0.00 0.00 55.06 56.59 2rln s HIS 105 Cb -0.01 -3.40 -0.04 0.00 1.11 0.00 0.00 32.58 30.24 2rln s HIS 105 CO -0.03 -0.99 0.02 0.96 -0.85 0.00 0.00 174.74 173.84 2rln s ILE 106 N -0.83 4.23 -0.15 0.60 -4.36 -1.26 0.19 121.20 119.62 2rln s ILE 106 Ca 0.48 -0.71 0.02 0.00 -0.26 0.00 0.00 60.65 60.17 2rln s ILE 106 Cb -0.34 -2.95 0.02 0.00 1.25 0.00 0.00 42.46 40.44 2rln s ILE 106 CO 0.42 0.27 -0.19 -0.63 0.24 0.00 0.00 174.94 175.05 2rln s ILE 107 N -1.20 1.89 0.11 8.37 1.01 0.20 -1.59 121.20 129.98 2rln s ILE 107 Ca 0.23 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 60.11 2rln s ILE 107 Cb -0.12 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 2rln s ILE 107 CO 0.14 0.51 -0.21 0.68 0.00 0.00 0.00 174.94 176.07 2rln s VAL 108 N 1.09 1.73 -0.14 2.92 -7.23 -0.67 -0.12 120.40 117.99 2rln s VAL 108 Ca -0.02 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 2rln s VAL 108 Cb -0.14 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 2rln s VAL 108 CO -0.07 -0.10 0.22 0.00 -0.31 0.00 0.00 175.10 174.85 2rln s ALA 109 N -1.29 3.71 0.14 1.32 0.00 -0.50 -1.00 121.76 124.14 2rln s ALA 109 Ca 0.08 -0.54 0.10 0.00 0.00 0.00 0.00 51.96 51.60 2rln s ALA 109 Cb -0.09 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2rln s ALA 109 CO 0.05 0.30 -0.22 0.00 0.00 0.00 0.00 175.76 175.88 2rln s GLU 111 N -2.22 1.60 0.39 0.00 2.02 -0.72 -4.91 118.70 114.86 2rln s GLU 111 Ca 0.17 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.37 2rln s GLU 111 Cb -0.10 0.60 0.00 0.00 0.10 0.00 0.00 34.13 34.73 2rln s GLU 111 CO 0.09 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 175.06 2rln n GLY 112 N -0.43 -2.38 2.61 -1.39 0.00 -1.26 -2.31 105.19 100.03 2rln n GLY 112 Ca -0.09 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 2rln n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rln s ASN 113 N -2.77 2.39 0.67 1.61 2.47 -1.26 -2.61 114.94 115.45 2rln s ASN 113 Ca 0.00 -0.64 -0.16 0.00 0.42 0.00 0.00 52.86 52.48 2rln s ASN 113 Cb 0.00 -0.25 0.01 0.00 -1.45 0.00 0.00 41.25 39.55 2rln s ASN 113 CO 0.00 -0.35 1.20 -2.16 -3.72 0.00 0.00 177.10 172.07 2rln s PRO 114 N 2.13 2.50 -0.63 0.43 0.04 -1.26 -5.06 135.00 133.15 2rln s PRO 114 Ca 0.02 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 62.56 2rln s PRO 114 Cb -0.16 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2rln s PRO 114 CO -0.10 -1.56 1.71 -0.47 0.04 0.00 0.00 177.00 176.63 2rln s TYR 115 N -1.85 1.83 0.24 0.56 5.04 -1.07 -4.86 117.35 117.22 2rln s TYR 115 Ca 0.75 0.59 0.07 0.00 -2.44 0.00 0.00 57.07 56.04 2rln s TYR 115 Cb -0.29 -4.22 -0.05 0.00 0.35 0.00 0.00 41.96 37.75 2rln s TYR 115 CO 0.41 -2.26 -0.11 0.14 -1.34 0.00 0.00 175.55 172.38 2rln s VAL 116 N 8.16 1.72 0.31 3.14 -7.23 -0.98 -4.83 120.40 120.70 2rln s VAL 116 Ca 0.60 -2.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 2rln s VAL 116 Cb -0.12 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 2rln s VAL 116 CO 0.20 -0.47 1.32 -2.84 -0.31 0.00 0.00 175.10 173.00 2rln s PRO 117 N -3.67 4.35 0.00 4.82 0.02 -1.26 -1.75 135.00 137.50 2rln s PRO 117 Ca 0.26 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2rln s PRO 117 Cb 0.01 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2rln s PRO 117 CO 0.09 -0.22 0.00 1.33 -0.33 0.00 0.00 177.00 177.87 2rln n VAL 118 N 1.08 0.00 -3.73 3.83 0.24 -0.31 -4.91 118.33 114.54 2rln n VAL 118 Ca 0.01 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 2rln n VAL 118 Cb 0.42 0.63 -0.08 0.00 -1.47 0.00 0.00 33.84 33.33 2rln n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2rln s HIS 119 N -1.03 -0.26 -0.37 6.34 3.76 -1.19 -5.00 115.29 117.54 2rln s HIS 119 Ca 0.00 0.44 -0.13 0.00 -0.15 0.00 0.00 55.06 55.21 2rln s HIS 119 Cb 0.00 0.14 -0.00 0.00 1.11 0.00 0.00 32.58 33.83 2rln s HIS 119 CO 0.00 -0.40 0.26 0.12 -0.85 0.00 0.00 174.74 173.87 2rln s PHE 120 N -1.17 3.23 -0.01 1.40 5.36 -1.26 -1.40 117.98 124.12 2rln s PHE 120 Ca -0.12 -0.41 -0.05 0.00 -0.96 0.00 0.00 56.93 55.39 2rln s PHE 120 Cb -0.04 -2.51 -0.29 0.00 -0.34 0.00 0.00 43.02 39.84 2rln s PHE 120 CO 0.05 -0.47 0.81 0.22 -1.46 0.00 0.00 175.22 174.37 2rln h ASP 121 N 8.53 0.46 -1.81 6.13 3.58 -0.85 -3.48 116.42 128.97 2rln h ASP 121 Ca -0.29 -0.65 0.36 0.00 0.42 0.00 0.00 57.03 56.86 2rln h ASP 121 Cb 1.14 -0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.97 2rln h ASP 121 CO 0.67 1.54 0.89 0.00 -2.88 0.00 0.00 179.24 179.46 2rln n ALA 122 N -2.72 -3.45 -3.59 -0.78 0.00 -1.05 -4.94 120.51 103.98 2rln n ALA 122 Ca -0.19 -0.66 -0.13 0.00 0.00 0.00 0.00 53.44 52.46 2rln n ALA 122 Cb 1.05 0.03 -0.14 0.00 0.00 0.00 0.00 19.45 20.39 2rln n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2rln s SER 123 N -3.63 -0.11 0.00 0.00 0.01 -1.26 -0.63 113.70 108.08 2rln s SER 123 Ca 0.29 0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.92 2rln s SER 123 Cb -0.00 0.20 0.07 0.00 0.21 0.00 0.00 66.02 66.49 2rln s SER 123 CO -0.02 -0.13 0.78 0.52 0.41 0.00 0.00 173.24 174.80