#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z3m n SER 22 N 0.00 0.00 -0.48 6.43 7.64 -1.26 -5.01 113.62 120.94 1z3m n SER 22 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1z3m n SER 22 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 1z3m n SER 22 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1z3m n SER 23 N 0.00 2.37 -4.73 6.43 7.64 -1.26 -4.67 113.62 119.40 1z3m n SER 23 Ca 0.00 -1.74 -0.31 0.00 1.01 0.00 0.00 58.87 57.83 1z3m n SER 23 Cb 0.00 -0.11 0.12 0.00 -1.01 0.00 0.00 64.21 63.21 1z3m n SER 23 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1z3m s ASN 24 N -0.91 3.88 0.26 6.43 2.20 -1.26 -4.78 114.94 120.75 1z3m s ASN 24 Ca 0.16 1.92 -0.03 0.00 -0.94 0.00 0.00 52.86 53.98 1z3m s ASN 24 Cb 0.09 -2.52 0.54 0.00 -2.00 0.00 0.00 41.25 37.37 1z3m s ASN 24 CO 0.13 -2.45 1.68 0.22 -2.94 0.00 0.00 177.10 173.74 1z3m h TYR 25 N -1.42 0.33 0.37 1.54 3.20 -1.98 -2.40 116.97 116.61 1z3m h TYR 25 Ca -0.44 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.46 1z3m h TYR 25 Cb 1.25 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.50 1z3m h TYR 25 CO 0.54 -0.10 -0.18 0.00 -1.64 0.00 0.00 178.16 176.78 1z3m h ASN 27 N -0.59 0.36 -0.04 0.00 -0.26 -1.80 0.41 115.58 113.67 1z3m h ASN 27 Ca -0.05 0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.77 1z3m h ASN 27 Cb 0.43 0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1z3m h ASN 27 CO 0.08 0.16 -0.05 1.56 -1.06 0.00 0.00 177.43 178.12 1z3m h GLN 28 N 0.51 0.10 -0.33 0.81 4.20 -1.28 -2.96 115.11 116.15 1z3m h GLN 28 Ca 0.41 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.93 1z3m h GLN 28 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1z3m h GLN 28 CO -0.37 0.59 -0.32 1.98 -0.67 0.00 0.00 178.83 180.04 1z3m h MET 29 N -0.37 0.71 -0.73 1.46 4.05 -0.63 0.23 114.93 119.65 1z3m h MET 29 Ca 0.01 -0.33 -0.02 0.00 -0.28 0.00 0.00 59.70 59.08 1z3m h MET 29 Cb 0.57 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 1z3m h MET 29 CO 0.01 0.93 0.39 0.52 0.23 0.00 0.00 176.91 178.99 1z3m h MET 30 N 0.60 1.01 0.11 0.39 2.86 -1.00 -0.62 114.93 118.29 1z3m h MET 30 Ca 0.07 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1z3m h MET 30 Cb 0.83 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1z3m h MET 30 CO 0.07 0.75 -0.05 -0.22 1.06 0.00 0.00 176.91 178.52 1z3m h LYS 31 N 1.02 -0.14 -0.91 1.72 1.63 -1.31 0.27 116.57 118.84 1z3m h LYS 31 Ca 0.26 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.14 1z3m h LYS 31 Cb 0.04 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.64 1z3m h LYS 31 CO -0.04 0.33 0.59 1.03 -3.45 0.00 0.00 179.45 177.92 1z3m h SER 32 N -0.73 0.90 -0.17 4.20 0.87 -0.80 -2.06 113.55 115.76 1z3m h SER 32 Ca -0.02 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1z3m h SER 32 Cb 0.54 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1z3m h SER 32 CO 0.02 0.56 0.00 0.54 -0.53 0.00 0.00 176.83 177.43 1z3m n ARG 33 N -4.50 1.63 -3.35 2.24 5.12 -0.25 -4.90 116.66 112.65 1z3m n ARG 33 Ca 0.14 -0.72 -0.18 0.00 -1.93 0.00 0.00 57.85 55.16 1z3m n ARG 33 Cb 0.22 -1.34 0.07 0.00 -1.16 0.00 0.00 32.46 30.25 1z3m n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1z3m n ASN 34 N 0.09 -4.83 -0.07 0.55 4.05 -0.77 -4.93 115.26 109.34 1z3m n ASN 34 Ca 0.07 -0.45 -0.08 0.00 0.45 0.00 0.00 54.58 54.56 1z3m n ASN 34 Cb 0.28 -4.22 -0.11 0.00 1.23 0.00 0.00 39.78 36.96 1z3m n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1z3m n LEU 35 N -4.05 0.57 -0.26 1.20 4.77 0.05 -4.68 117.00 114.60 1z3m n LEU 35 Ca -0.04 -0.02 0.08 0.00 -0.03 0.00 0.00 56.01 56.00 1z3m n LEU 35 Cb 0.57 0.16 0.14 0.00 -2.33 0.00 0.00 43.42 41.95 1z3m n LEU 35 CO 0.52 0.43 0.48 0.35 -1.33 0.00 0.00 177.39 177.85 1z3m n THR 36 N -2.61 1.72 0.10 -5.08 -2.24 -1.02 -4.26 114.28 100.89 1z3m n THR 36 Ca -0.24 -2.22 -0.02 0.00 -2.27 0.00 0.00 64.05 59.29 1z3m n THR 36 Cb 0.93 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 1z3m n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1z3m h LYS 37 N 0.23 0.00 0.00 -0.78 1.57 -1.83 -3.35 116.57 112.41 1z3m h LYS 37 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1z3m h LYS 37 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1z3m h LYS 37 CO 0.00 0.75 -0.16 -0.40 -0.57 0.00 0.00 179.45 179.07 1z3m n ASP 38 N -3.33 1.27 0.00 0.86 5.68 -1.26 -5.08 116.55 114.69 1z3m n ASP 38 Ca 0.01 -2.34 0.00 0.00 -0.50 0.00 0.00 54.79 51.95 1z3m n ASP 38 Cb 0.82 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1z3m n ASP 38 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1z3m n ARG 39 N -0.67 -0.46 -3.92 0.11 1.85 -1.26 -5.12 116.66 107.19 1z3m n ARG 39 Ca 0.07 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.57 1z3m n ARG 39 Cb 0.59 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.86 1z3m n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1z3m s LYS 41 N 1.22 4.49 0.17 0.00 2.20 -1.26 -4.95 119.74 121.60 1z3m s LYS 41 Ca -0.04 1.54 -0.15 0.00 -0.36 0.00 0.00 55.97 56.96 1z3m s LYS 41 Cb -0.20 -3.45 0.12 0.00 -1.51 0.00 0.00 37.83 32.79 1z3m s LYS 41 CO -0.02 -0.18 1.72 -1.35 -0.36 0.00 0.00 175.35 175.17 1z3m h PRO 42 N 6.89 0.20 -3.63 4.03 0.11 -1.98 -3.42 132.00 134.20 1z3m h PRO 42 Ca -0.39 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.56 1z3m h PRO 42 Cb 1.20 -0.05 -0.20 0.00 0.11 0.00 0.00 31.00 32.07 1z3m h PRO 42 CO 0.79 0.13 -0.51 0.14 -0.21 0.00 0.00 178.00 178.35 1z3m s VAL 43 N -6.16 0.10 -0.17 3.15 -7.23 -1.26 -0.78 120.40 108.05 1z3m s VAL 43 Ca -0.13 -0.84 -0.28 0.00 -1.81 0.00 0.00 61.98 58.92 1z3m s VAL 43 Cb 0.14 -0.58 0.08 0.00 0.56 0.00 0.00 36.38 36.57 1z3m s VAL 43 CO 0.72 -0.46 0.75 0.21 -0.31 0.00 0.00 175.10 176.00 1z3m s ASN 44 N -1.65 -0.66 -0.06 4.85 2.47 -0.45 -5.01 114.94 114.43 1z3m s ASN 44 Ca -0.11 1.03 0.06 0.00 0.42 0.00 0.00 52.86 54.25 1z3m s ASN 44 Cb -0.06 0.96 -0.01 0.00 -1.45 0.00 0.00 41.25 40.69 1z3m s ASN 44 CO -0.01 -0.39 -0.23 -0.89 -3.72 0.00 0.00 177.10 171.86 1z3m s THR 45 N -0.38 2.27 -0.11 -5.21 2.01 -1.26 -0.58 115.64 112.38 1z3m s THR 45 Ca -0.04 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1z3m s THR 45 Cb -0.03 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 1z3m s THR 45 CO 0.04 0.57 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.04 1z3m s PHE 46 N -0.29 2.76 -0.22 4.92 0.08 -0.30 -4.98 117.98 119.96 1z3m s PHE 46 Ca 0.00 -0.56 -0.09 0.00 0.12 0.00 0.00 56.93 56.40 1z3m s PHE 46 Cb -0.13 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1z3m s PHE 46 CO 0.03 -0.13 0.11 0.08 -0.10 0.00 0.00 175.22 175.20 1z3m s VAL 47 N 0.09 5.04 -1.09 -0.44 1.01 -1.26 -0.74 120.40 123.00 1z3m s VAL 47 Ca -0.06 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1z3m s VAL 47 Cb -0.15 -3.32 0.30 0.00 0.00 0.00 0.00 36.38 33.22 1z3m s VAL 47 CO 0.05 0.40 1.53 1.41 0.00 0.00 0.00 175.10 178.49 1z3m n HIS 48 N 4.00 2.28 -4.06 5.22 -0.00 0.87 -4.95 115.22 118.58 1z3m n HIS 48 Ca -0.16 -2.57 -0.10 0.00 -0.00 0.00 0.00 57.72 54.89 1z3m n HIS 48 Cb 0.52 -1.29 -0.08 0.00 -0.00 0.00 0.00 29.99 29.14 1z3m n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1z3m s GLU 49 N -2.73 1.07 0.61 -0.41 0.41 -1.26 -4.51 118.70 111.87 1z3m s GLU 49 Ca 0.32 -1.32 -0.18 0.00 -0.41 0.00 0.00 54.97 53.37 1z3m s GLU 49 Cb 0.06 0.31 -0.03 0.00 -1.78 0.00 0.00 34.13 32.70 1z3m s GLU 49 CO 0.09 -0.35 1.22 -1.54 -0.49 0.00 0.00 175.26 174.19 1z3m s SER 50 N -3.02 5.04 0.20 -0.19 1.04 -1.26 -4.90 113.70 110.61 1z3m s SER 50 Ca 0.22 2.42 -0.11 0.00 0.48 0.00 0.00 55.95 58.95 1z3m s SER 50 Cb 0.05 -2.60 0.17 0.00 0.10 0.00 0.00 66.02 63.74 1z3m s SER 50 CO 0.02 -1.70 1.82 0.25 0.98 0.00 0.00 173.24 174.62 1z3m h LEU 51 N 0.76 0.59 -1.08 2.42 5.85 -2.00 -2.51 115.31 119.34 1z3m h LEU 51 Ca -0.50 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 1z3m h LEU 51 Cb 1.30 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1z3m h LEU 51 CO 0.54 0.40 0.31 0.00 -0.34 0.00 0.00 178.44 179.36 1z3m h ALA 52 N 1.29 1.28 0.00 1.25 0.00 -1.99 -1.53 119.26 119.56 1z3m h ALA 52 Ca 0.26 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1z3m h ALA 52 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1z3m h ALA 52 CO -0.13 0.55 -0.35 -0.44 0.00 0.00 0.00 179.25 178.89 1z3m h ASP 53 N 0.96 0.00 0.31 0.00 3.32 -1.83 -1.72 116.42 117.46 1z3m h ASP 53 Ca 0.23 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.00 1z3m h ASP 53 Cb 0.12 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.69 1z3m h ASP 53 CO -0.03 0.35 -1.20 0.58 -1.72 0.00 0.00 179.24 177.22 1z3m h VAL 54 N 0.00 1.36 0.00 -1.35 2.07 -1.14 -3.21 116.25 113.99 1z3m h VAL 54 Ca -0.00 -2.63 -0.05 0.00 0.82 0.00 0.00 66.70 64.84 1z3m h VAL 54 Cb 0.68 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1z3m h VAL 54 CO 0.05 0.79 -0.24 1.56 0.02 0.00 0.00 177.57 179.74 1z3m h GLN 55 N 0.20 0.00 0.00 1.57 4.20 -1.03 -2.20 115.11 117.86 1z3m h GLN 55 Ca -0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1z3m h GLN 55 Cb 1.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.66 1z3m h GLN 55 CO 0.22 0.24 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 1z3m h ALA 56 N 1.76 1.00 0.00 3.87 0.00 -1.32 -2.60 119.26 121.98 1z3m h ALA 56 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1z3m h ALA 56 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1z3m h ALA 56 CO 0.03 0.00 -0.17 0.28 0.00 0.00 0.00 179.25 179.39 1z3m h VAL 57 N 0.00 0.80 0.00 0.00 2.07 -1.49 -2.62 116.25 115.00 1z3m h VAL 57 Ca 0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1z3m h VAL 57 Cb 0.29 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1z3m h VAL 57 CO 0.00 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1z3m n SER 59 N -1.45 2.19 0.00 0.00 3.41 -0.99 -4.98 113.62 111.80 1z3m n SER 59 Ca 0.02 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 1z3m n SER 59 Cb 0.06 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1z3m n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1z3m n GLN 60 N -1.31 1.17 -2.36 4.33 6.02 -0.26 -5.00 117.38 119.98 1z3m n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1z3m n GLN 60 Cb 0.62 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.86 1z3m n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1z3m s LYS 61 N 3.93 3.82 0.02 -1.09 2.47 -1.04 -4.88 119.74 122.98 1z3m s LYS 61 Ca 0.00 1.24 -0.30 0.00 -1.56 0.00 0.00 55.97 55.35 1z3m s LYS 61 Cb 0.00 -3.93 -0.05 0.00 -1.46 0.00 0.00 37.83 32.39 1z3m s LYS 61 CO 0.00 -1.24 1.25 1.21 0.16 0.00 0.00 175.35 176.72 1z3m s ASN 62 N 3.25 7.02 0.10 1.43 3.04 -1.26 0.13 114.94 128.64 1z3m s ASN 62 Ca 0.59 2.00 -0.04 0.00 0.04 0.00 0.00 52.86 55.45 1z3m s ASN 62 Cb -0.17 -2.57 -0.03 0.00 -1.54 0.00 0.00 41.25 36.94 1z3m s ASN 62 CO 0.26 -0.55 0.10 0.68 -3.04 0.00 0.00 177.10 174.54 1z3m s VAL 63 N 1.59 0.15 0.50 -5.21 -7.23 -0.34 -4.91 120.40 104.94 1z3m s VAL 63 Ca 0.59 -1.60 -0.20 0.00 -1.81 0.00 0.00 61.98 58.96 1z3m s VAL 63 Cb -0.29 -1.65 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 1z3m s VAL 63 CO 0.27 -0.67 1.06 0.00 -0.31 0.00 0.00 175.10 175.44 1z3m s ALA 64 N -3.94 2.83 0.67 1.32 0.00 -1.26 -3.21 121.76 118.17 1z3m s ALA 64 Ca 0.12 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1z3m s ALA 64 Cb 0.06 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.97 1z3m s ALA 64 CO -0.06 -0.41 0.95 0.00 0.00 0.00 0.00 175.76 176.24 1z3m h LYS 66 N -0.43 0.52 -0.00 0.00 1.57 -1.92 -1.94 116.57 114.36 1z3m h LYS 66 Ca -0.43 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1z3m h LYS 66 Cb 1.31 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1z3m h LYS 66 CO 0.56 0.42 -0.00 0.27 -0.57 0.00 0.00 179.45 180.13 1z3m n ASN 67 N -4.40 0.01 0.00 0.86 0.23 -1.26 -4.90 115.26 105.80 1z3m n ASN 67 Ca 0.02 -0.27 0.00 0.00 -0.53 0.00 0.00 54.58 53.80 1z3m n ASN 67 Cb 0.13 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 1z3m n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1z3m n GLY 68 N 1.25 0.97 3.75 4.83 0.00 -0.73 -5.08 105.19 110.18 1z3m n GLY 68 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1z3m n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1z3m s GLN 69 N -0.78 2.18 -0.21 1.61 -1.52 -1.26 -4.66 119.66 115.02 1z3m s GLN 69 Ca 0.00 1.28 0.14 0.00 -1.95 0.00 0.00 55.36 54.83 1z3m s GLN 69 Cb 0.00 -1.88 0.51 0.00 -0.22 0.00 0.00 33.01 31.42 1z3m s GLN 69 CO 0.00 -1.71 1.43 0.25 -0.25 0.00 0.00 175.29 175.01 1z3m n THR 70 N -3.39 2.36 -1.01 -0.19 -2.24 -1.26 0.35 114.28 108.89 1z3m n THR 70 Ca 0.10 -2.15 -0.15 0.00 -2.27 0.00 0.00 64.05 59.57 1z3m n THR 70 Cb 0.53 -0.28 0.22 0.00 -2.10 0.00 0.00 70.33 68.70 1z3m n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1z3m n ASN 71 N -0.75 4.13 -4.80 3.42 6.94 -1.26 -4.74 115.26 118.20 1z3m n ASN 71 Ca 0.25 -3.36 -0.29 0.00 -0.02 0.00 0.00 54.58 51.17 1z3m n ASN 71 Cb 0.94 -0.78 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 1z3m n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1z3m s TYR 73 N -1.53 0.08 -0.11 0.00 1.51 -0.32 -1.20 117.35 115.79 1z3m s TYR 73 Ca 0.30 -0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.32 1z3m s TYR 73 Cb -0.11 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 1z3m s TYR 73 CO 0.23 -0.01 0.03 -1.14 -1.11 0.00 0.00 175.55 173.55 1z3m s GLN 74 N 0.06 3.21 0.40 -0.62 0.74 0.12 -1.73 119.66 121.84 1z3m s GLN 74 Ca -0.00 -0.36 -0.26 0.00 0.05 0.00 0.00 55.36 54.79 1z3m s GLN 74 Cb -0.01 -2.92 -0.09 0.00 1.10 0.00 0.00 33.01 31.09 1z3m s GLN 74 CO -0.00 0.64 1.25 -1.54 -0.55 0.00 0.00 175.29 175.09 1z3m s SER 75 N -0.70 6.43 0.25 6.67 1.04 -0.42 -2.49 113.70 124.49 1z3m s SER 75 Ca 0.11 2.53 -0.02 0.00 0.48 0.00 0.00 55.95 59.05 1z3m s SER 75 Cb -0.12 -2.63 0.31 0.00 0.10 0.00 0.00 66.02 63.68 1z3m s SER 75 CO 0.02 -0.75 1.72 1.88 0.98 0.00 0.00 173.24 177.09 1z3m h TYR 76 N 2.73 0.80 -1.87 5.02 0.05 -1.95 -3.44 116.97 118.31 1z3m h TYR 76 Ca -0.49 -0.14 -0.55 0.00 0.05 0.00 0.00 58.73 57.60 1z3m h TYR 76 Cb 1.24 -0.21 -0.08 0.00 1.01 0.00 0.00 36.73 38.69 1z3m h TYR 76 CO 0.54 0.80 -0.54 0.45 -1.05 0.00 0.00 178.16 178.36 1z3m s SER 77 N -6.70 4.61 0.50 3.88 0.15 -1.26 -5.07 113.70 109.81 1z3m s SER 77 Ca -0.09 -0.81 -0.18 0.00 0.70 0.00 0.00 55.95 55.57 1z3m s SER 77 Cb 0.14 -0.69 -0.09 0.00 -1.71 0.00 0.00 66.02 63.67 1z3m s SER 77 CO 0.81 -0.30 0.98 0.42 1.20 0.00 0.00 173.24 176.35 1z3m s THR 78 N -2.45 4.48 0.15 6.45 -4.23 -1.26 -4.43 115.64 114.35 1z3m s THR 78 Ca 0.38 1.27 0.06 0.00 -1.18 0.00 0.00 61.69 62.22 1z3m s THR 78 Cb -0.02 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1z3m s THR 78 CO 0.22 -0.59 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.53 1z3m s MET 79 N -3.85 1.11 -0.13 3.99 -1.94 0.74 -4.78 119.30 114.45 1z3m s MET 79 Ca 0.60 -1.37 -0.29 0.00 -1.71 0.00 0.00 55.69 52.92 1z3m s MET 79 Cb -0.10 -0.93 -0.03 0.00 2.01 0.00 0.00 34.83 35.79 1z3m s MET 79 CO 0.27 0.16 1.34 0.45 -0.01 0.00 0.00 175.02 177.23 1z3m s SER 80 N -2.79 6.90 0.08 3.03 0.15 -1.26 -1.56 113.70 118.25 1z3m s SER 80 Ca 0.14 1.82 0.02 0.00 0.70 0.00 0.00 55.95 58.64 1z3m s SER 80 Cb -0.03 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1z3m s SER 80 CO 0.04 -0.77 -0.08 0.27 1.20 0.00 0.00 173.24 173.89 1z3m s ILE 81 N 3.43 0.71 -0.13 6.45 -5.25 0.60 -0.09 121.20 126.92 1z3m s ILE 81 Ca 0.59 -1.59 0.01 0.00 -0.99 0.00 0.00 60.65 58.67 1z3m s ILE 81 Cb -0.25 -1.26 0.02 0.00 2.95 0.00 0.00 42.46 43.92 1z3m s ILE 81 CO 0.19 -0.64 -0.15 -0.89 -1.79 0.00 0.00 174.94 171.66 1z3m s THR 82 N -2.61 1.54 -0.13 8.37 2.01 0.08 -1.20 115.64 123.70 1z3m s THR 82 Ca 0.03 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.27 1z3m s THR 82 Cb -0.02 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 1z3m s THR 82 CO -0.02 0.45 0.28 -0.62 -0.69 0.00 0.00 174.62 174.02 1z3m s ASP 83 N 1.26 6.48 -0.16 3.53 2.15 0.58 -1.15 116.67 129.35 1z3m s ASP 83 Ca -0.00 0.56 0.01 0.00 0.43 0.00 0.00 52.55 53.55 1z3m s ASP 83 Cb -0.14 -2.17 0.01 0.00 -0.30 0.00 0.00 42.92 40.32 1z3m s ASP 83 CO -0.06 0.20 -0.18 0.00 -0.17 0.00 0.00 175.17 174.95 1z3m s ARG 85 N 1.05 0.97 0.35 0.00 3.52 -0.91 -1.34 118.95 122.59 1z3m s ARG 85 Ca -0.01 -0.24 -0.29 0.00 -0.13 0.00 0.00 55.73 55.06 1z3m s ARG 85 Cb -0.14 -0.90 -0.11 0.00 -1.56 0.00 0.00 34.95 32.23 1z3m s ARG 85 CO -0.06 0.03 1.51 0.39 -0.81 0.00 0.00 175.30 176.37 1z3m n GLU 86 N 3.59 2.66 -1.63 5.12 1.02 0.04 0.07 120.64 131.52 1z3m n GLU 86 Ca -0.21 0.94 -0.29 0.00 -0.02 0.00 0.00 57.16 57.58 1z3m n GLU 86 Cb 0.53 -2.68 0.14 0.00 -0.02 0.00 0.00 31.44 29.41 1z3m n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1z3m s THR 87 N -0.78 1.98 0.35 2.62 -4.23 -0.64 -4.80 115.64 110.14 1z3m s THR 87 Ca 0.57 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.28 1z3m s THR 87 Cb -0.49 -2.82 0.20 0.00 1.34 0.00 0.00 72.50 70.74 1z3m s THR 87 CO 0.59 0.00 1.93 1.23 -0.54 0.00 0.00 174.62 177.83 1z3m h GLY 88 N -1.47 0.00 0.60 3.99 0.00 -1.94 -3.06 103.07 101.18 1z3m h GLY 88 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1z3m h GLY 88 CO 0.59 0.00 -0.84 -1.14 0.00 0.00 0.00 176.54 175.15 1z3m n SER 89 N -3.79 0.66 -4.60 0.19 3.41 -1.26 -4.97 113.62 103.26 1z3m n SER 89 Ca -0.01 -0.40 -0.48 0.00 -0.26 0.00 0.00 58.87 57.71 1z3m n SER 89 Cb 0.34 0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 64.90 1z3m n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1z3m n SER 90 N -1.70 1.74 -3.67 4.04 2.88 -1.16 -4.99 113.62 110.76 1z3m n SER 90 Ca 0.04 1.14 -0.09 0.00 -1.33 0.00 0.00 58.87 58.63 1z3m n SER 90 Cb 0.38 -1.26 -0.09 0.00 -0.75 0.00 0.00 64.21 62.48 1z3m n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1z3m s LYS 91 N -0.21 0.54 0.36 -1.46 2.20 -1.17 -4.92 119.74 115.08 1z3m s LYS 91 Ca 0.74 1.00 -0.27 0.00 -0.36 0.00 0.00 55.97 57.08 1z3m s LYS 91 Cb -0.82 0.06 -0.12 0.00 -1.51 0.00 0.00 37.83 35.45 1z3m s LYS 91 CO 0.50 -0.16 1.19 0.98 -0.36 0.00 0.00 175.35 177.51 1z3m n TYR 92 N 4.32 1.89 1.73 4.03 9.36 -1.26 -0.45 117.16 136.77 1z3m n TYR 92 Ca -0.22 0.57 0.15 0.00 3.32 0.00 0.00 57.90 61.72 1z3m n TYR 92 Cb 0.57 -2.35 0.75 0.00 -0.63 0.00 0.00 39.34 37.68 1z3m n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1z3m n PRO 93 N 0.39 1.15 -2.85 2.98 -0.04 -1.26 -4.97 135.00 130.40 1z3m n PRO 93 Ca 0.07 -0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 62.74 1z3m n PRO 93 Cb 0.37 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1z3m n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1z3m n ASN 94 N -0.62 5.62 -4.77 3.54 3.02 0.40 -4.75 115.26 117.70 1z3m n ASN 94 Ca 0.21 -3.17 -0.40 0.00 -0.03 0.00 0.00 54.58 51.19 1z3m n ASN 94 Cb 0.22 -1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 37.95 1z3m n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1z3m s ALA 96 N -1.22 0.83 0.08 0.00 0.00 -1.26 -2.92 121.76 117.27 1z3m s ALA 96 Ca 0.49 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.19 1z3m s ALA 96 Cb -0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1z3m s ALA 96 CO 0.45 0.14 -0.16 0.71 0.00 0.00 0.00 175.76 176.89 1z3m s TYR 97 N 0.18 1.40 -0.19 0.00 1.51 -1.26 -1.62 117.35 117.37 1z3m s TYR 97 Ca -0.03 -0.45 -0.09 0.00 -1.01 0.00 0.00 57.07 55.49 1z3m s TYR 97 Cb -0.08 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 40.94 1z3m s TYR 97 CO 0.00 0.11 0.12 0.21 -1.11 0.00 0.00 175.55 174.88 1z3m s LYS 98 N -1.79 4.11 -0.20 -0.62 2.20 0.11 -4.83 119.74 118.71 1z3m s LYS 98 Ca 0.01 -0.24 -0.09 0.00 -0.36 0.00 0.00 55.97 55.29 1z3m s LYS 98 Cb -0.10 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1z3m s LYS 98 CO 0.03 0.33 0.11 0.99 -0.36 0.00 0.00 175.35 176.45 1z3m s THR 99 N 0.27 5.18 -0.09 3.43 2.01 -1.26 -2.14 115.64 123.04 1z3m s THR 99 Ca 0.08 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 1z3m s THR 99 Cb -0.11 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.05 1z3m s THR 99 CO -0.01 0.43 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.41 1z3m s THR 100 N 0.51 0.78 0.00 -0.82 2.01 -0.60 -4.99 115.64 112.52 1z3m s THR 100 Ca 0.06 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 1z3m s THR 100 Cb -0.12 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1z3m s THR 100 CO -0.00 0.32 0.33 -1.58 -0.69 0.00 0.00 174.62 173.01 1z3m s GLN 101 N 1.71 3.73 0.20 4.92 2.00 -1.26 -0.31 119.66 130.66 1z3m s GLN 101 Ca 0.03 0.17 -0.23 0.00 -2.00 0.00 0.00 55.36 53.33 1z3m s GLN 101 Cb -0.13 -3.13 0.05 0.00 0.80 0.00 0.00 33.01 30.60 1z3m s GLN 101 CO -0.06 0.67 0.85 0.00 -0.50 0.00 0.00 175.29 176.25 1z3m s ALA 102 N -1.19 -1.48 -0.17 1.58 0.00 -0.34 -4.99 121.76 115.15 1z3m s ALA 102 Ca 0.25 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1z3m s ALA 102 Cb -0.15 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.73 1z3m s ALA 102 CO 0.13 -1.03 -0.14 -0.80 0.00 0.00 0.00 175.76 173.93 1z3m s ASN 103 N -2.92 3.02 0.19 0.00 0.01 -1.26 -0.29 114.94 113.70 1z3m s ASN 103 Ca 0.11 -0.66 -0.18 0.00 -0.71 0.00 0.00 52.86 51.43 1z3m s ASN 103 Cb -0.03 -1.26 0.03 0.00 0.41 0.00 0.00 41.25 40.39 1z3m s ASN 103 CO 0.03 -0.07 0.53 -1.59 -1.51 0.00 0.00 177.10 174.49 1z3m s LYS 104 N 1.41 1.38 0.39 -0.60 -2.85 -0.60 -4.78 119.74 114.09 1z3m s LYS 104 Ca 0.03 -0.85 -0.25 0.00 -1.00 0.00 0.00 55.97 53.90 1z3m s LYS 104 Cb -0.14 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.07 1z3m s LYS 104 CO -0.10 -0.59 1.08 -1.01 0.10 0.00 0.00 175.35 174.83 1z3m s HIS 105 N -3.87 3.26 0.12 1.78 3.76 -1.26 -0.18 115.29 118.90 1z3m s HIS 105 Ca 0.09 1.63 0.06 0.00 -0.15 0.00 0.00 55.06 56.70 1z3m s HIS 105 Cb -0.01 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.45 1z3m s HIS 105 CO -0.03 -0.75 -0.03 0.96 -0.85 0.00 0.00 174.74 174.04 1z3m s ILE 106 N -1.56 3.72 -0.15 0.60 -4.36 -1.26 0.11 121.20 118.30 1z3m s ILE 106 Ca 0.56 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.74 1z3m s ILE 106 Cb -0.25 -2.80 0.02 0.00 1.25 0.00 0.00 42.46 40.69 1z3m s ILE 106 CO 0.31 0.04 -0.14 -0.63 0.24 0.00 0.00 174.94 174.76 1z3m s ILE 107 N -1.42 1.54 0.17 8.37 1.09 0.60 -1.30 121.20 130.25 1z3m s ILE 107 Ca 0.25 -0.62 0.10 0.00 -1.10 0.00 0.00 60.65 59.29 1z3m s ILE 107 Cb -0.11 -1.45 -0.04 0.00 -1.06 0.00 0.00 42.46 39.80 1z3m s ILE 107 CO 0.17 0.45 -0.23 0.68 -0.10 0.00 0.00 174.94 175.91 1z3m s VAL 108 N 1.50 2.18 -0.16 2.92 -7.23 -0.71 -0.45 120.40 118.45 1z3m s VAL 108 Ca 0.05 -1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 58.20 1z3m s VAL 108 Cb -0.13 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 1z3m s VAL 108 CO -0.11 -0.11 0.18 0.00 -0.31 0.00 0.00 175.10 174.76 1z3m s ALA 109 N -1.59 3.71 0.12 1.32 0.00 0.68 -1.18 121.76 124.83 1z3m s ALA 109 Ca 0.17 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.63 1z3m s ALA 109 Cb -0.08 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1z3m s ALA 109 CO 0.08 0.27 -0.21 0.00 0.00 0.00 0.00 175.76 175.90 1z3m s GLU 111 N -2.12 1.67 0.92 0.00 2.02 -0.76 -4.91 118.70 115.52 1z3m s GLU 111 Ca 0.17 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1z3m s GLU 111 Cb -0.10 0.57 0.00 0.00 0.10 0.00 0.00 34.13 34.70 1z3m s GLU 111 CO 0.09 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.03 1z3m n GLY 112 N -0.43 -1.91 2.69 -1.39 0.00 -1.26 -2.63 105.19 100.27 1z3m n GLY 112 Ca -0.05 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 1z3m n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1z3m s ASN 113 N -3.82 1.48 0.72 1.61 3.84 -1.26 -2.69 114.94 114.82 1z3m s ASN 113 Ca 0.00 -0.13 -0.16 0.00 0.21 0.00 0.00 52.86 52.78 1z3m s ASN 113 Cb 0.00 -0.05 0.02 0.00 -0.55 0.00 0.00 41.25 40.68 1z3m s ASN 113 CO 0.00 -0.29 1.19 -0.81 -2.79 0.00 0.00 177.10 174.40 1z3m n PRO 114 N 5.30 0.67 -2.31 0.43 -0.04 -1.26 -5.06 135.00 132.73 1z3m n PRO 114 Ca -0.05 0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 63.31 1z3m n PRO 114 Cb 0.50 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 1z3m n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1z3m s TYR 115 N -1.72 1.98 0.29 0.54 5.04 -1.10 -4.88 117.35 117.50 1z3m s TYR 115 Ca 0.78 0.35 0.07 0.00 -2.44 0.00 0.00 57.07 55.82 1z3m s TYR 115 Cb -0.34 -4.37 -0.06 0.00 0.35 0.00 0.00 41.96 37.53 1z3m s TYR 115 CO 0.46 -2.19 -0.05 0.14 -1.34 0.00 0.00 175.55 172.57 1z3m s VAL 116 N 7.33 1.67 0.24 3.14 -7.23 -1.08 -4.85 120.40 119.62 1z3m s VAL 116 Ca 0.50 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 1z3m s VAL 116 Cb -0.10 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.24 1z3m s VAL 116 CO 0.18 -0.27 1.35 -2.84 -0.31 0.00 0.00 175.10 173.22 1z3m s PRO 117 N -3.73 4.34 0.00 4.82 0.02 -1.26 -1.83 135.00 137.36 1z3m s PRO 117 Ca 0.30 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1z3m s PRO 117 Cb 0.04 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1z3m s PRO 117 CO 0.13 -0.30 0.00 1.33 -0.33 0.00 0.00 177.00 177.83 1z3m n VAL 118 N 2.19 0.00 -3.72 3.83 0.24 0.36 -4.92 118.33 116.31 1z3m n VAL 118 Ca 0.05 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 1z3m n VAL 118 Cb 0.42 0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 33.64 1z3m n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1z3m s HIS 119 N -0.72 -0.40 -0.45 6.34 3.76 -1.11 -4.98 115.29 117.73 1z3m s HIS 119 Ca 0.00 0.88 -0.16 0.00 -0.15 0.00 0.00 55.06 55.63 1z3m s HIS 119 Cb 0.00 0.16 0.05 0.00 1.11 0.00 0.00 32.58 33.90 1z3m s HIS 119 CO 0.00 -0.31 0.40 0.12 -0.85 0.00 0.00 174.74 174.10 1z3m s PHE 120 N -0.36 3.21 0.09 1.40 5.36 -1.26 -0.23 117.98 126.19 1z3m s PHE 120 Ca -0.05 -0.71 -0.05 0.00 -0.96 0.00 0.00 56.93 55.16 1z3m s PHE 120 Cb -0.03 -3.00 -0.23 0.00 -0.34 0.00 0.00 43.02 39.42 1z3m s PHE 120 CO 0.02 -0.75 1.18 0.22 -1.46 0.00 0.00 175.22 174.44 1z3m h ASP 121 N 8.74 0.49 0.00 6.13 3.58 -1.09 -3.48 116.42 130.79 1z3m h ASP 121 Ca -0.28 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.69 1z3m h ASP 121 Cb 1.11 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1z3m h ASP 121 CO 0.83 1.34 0.00 0.00 -2.88 0.00 0.00 179.24 178.54 1z3m n ALA 122 N -2.55 0.00 -3.45 -0.78 0.00 -1.00 -4.95 120.51 107.78 1z3m n ALA 122 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 1z3m n ALA 122 Cb 0.97 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.26 1z3m n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1z3m s SER 123 N 0.00 0.70 0.00 0.00 0.01 -1.26 -0.29 113.70 112.86 1z3m s SER 123 Ca 0.00 -0.09 0.09 0.00 1.31 0.00 0.00 55.95 57.26 1z3m s SER 123 Cb 0.00 -0.29 0.07 0.00 0.21 0.00 0.00 66.02 66.01 1z3m s SER 123 CO 0.00 -0.04 0.78 0.52 0.41 0.00 0.00 173.24 174.91