#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z3p n SER 22 N 0.00 0.00 -0.01 6.43 7.64 -1.26 -5.00 113.62 121.41 1z3p n SER 22 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 1z3p n SER 22 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1z3p n SER 22 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1z3p n SER 23 N 0.00 1.84 -4.72 6.43 2.88 -1.26 -4.69 113.62 114.11 1z3p n SER 23 Ca 0.00 -2.02 -0.30 0.00 -1.33 0.00 0.00 58.87 55.22 1z3p n SER 23 Cb 0.00 -0.04 0.13 0.00 -0.75 0.00 0.00 64.21 63.55 1z3p n SER 23 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1z3p s ASN 24 N -1.10 3.59 0.21 -3.46 2.20 -1.26 -4.76 114.94 110.36 1z3p s ASN 24 Ca 0.03 1.62 -0.13 0.00 -0.94 0.00 0.00 52.86 53.45 1z3p s ASN 24 Cb 0.03 -2.29 0.25 0.00 -2.00 0.00 0.00 41.25 37.24 1z3p s ASN 24 CO 0.00 -2.58 1.63 0.22 -2.94 0.00 0.00 177.10 173.43 1z3p h TYR 25 N -1.51 -0.30 0.13 1.54 3.20 -1.98 -2.33 116.97 115.72 1z3p h TYR 25 Ca -0.48 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1z3p h TYR 25 Cb 1.27 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.76 1z3p h TYR 25 CO 0.46 -0.26 -0.10 0.00 -1.64 0.00 0.00 178.16 176.62 1z3p h ASN 27 N -0.24 0.66 -0.13 0.00 -0.26 -1.81 0.00 115.58 113.80 1z3p h ASN 27 Ca -0.00 0.04 -0.07 0.00 -0.56 0.00 0.00 56.30 55.71 1z3p h ASN 27 Cb 0.22 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1z3p h ASN 27 CO -0.01 0.39 -0.19 1.56 -1.06 0.00 0.00 177.43 178.12 1z3p h GLN 28 N 0.79 0.36 -0.17 0.81 4.20 -1.14 -2.93 115.11 117.03 1z3p h GLN 28 Ca 0.38 -0.22 -0.18 0.00 0.06 0.00 0.00 58.65 58.69 1z3p h GLN 28 Cb 0.31 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1z3p h GLN 28 CO -0.23 0.80 -0.62 0.52 -0.67 0.00 0.00 178.83 178.63 1z3p h MET 29 N -0.04 0.60 -0.48 1.46 2.86 -0.64 -0.68 114.93 118.01 1z3p h MET 29 Ca 0.01 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.21 1z3p h MET 29 Cb 0.76 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1z3p h MET 29 CO 0.05 1.03 0.21 0.52 1.06 0.00 0.00 176.91 179.78 1z3p h MET 30 N 0.44 0.67 0.07 1.72 2.86 -1.08 -0.78 114.93 118.84 1z3p h MET 30 Ca -0.01 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1z3p h MET 30 Cb 1.19 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1z3p h MET 30 CO 0.12 0.55 -0.03 -0.22 1.06 0.00 0.00 176.91 178.38 1z3p h LYS 31 N 0.67 -0.09 -0.03 1.72 1.63 -1.37 0.76 116.57 119.86 1z3p h LYS 31 Ca 0.17 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1z3p h LYS 31 Cb 0.11 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1z3p h LYS 31 CO -0.02 0.48 -0.13 0.66 -3.45 0.00 0.00 179.45 176.99 1z3p h SER 32 N -0.83 0.04 -0.24 4.20 4.64 -1.01 -2.11 113.55 118.24 1z3p h SER 32 Ca -0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1z3p h SER 32 Cb 0.61 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1z3p h SER 32 CO 0.02 0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.69 1z3p n ARG 33 N -4.37 1.76 -3.38 4.77 5.12 -0.31 -4.90 116.66 115.35 1z3p n ARG 33 Ca -0.02 -0.94 -0.19 0.00 -1.93 0.00 0.00 57.85 54.77 1z3p n ARG 33 Cb 0.21 -1.33 0.07 0.00 -1.16 0.00 0.00 32.46 30.24 1z3p n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1z3p n ASN 34 N 0.23 -5.14 -0.08 0.55 4.05 -0.79 -4.93 115.26 109.15 1z3p n ASN 34 Ca 0.09 -0.46 -0.09 0.00 0.45 0.00 0.00 54.58 54.57 1z3p n ASN 34 Cb 0.30 -4.29 -0.11 0.00 1.23 0.00 0.00 39.78 36.91 1z3p n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1z3p n LEU 35 N -4.17 0.79 -0.44 1.20 4.77 0.20 -4.67 117.00 114.68 1z3p n LEU 35 Ca -0.03 -0.03 0.07 0.00 -0.03 0.00 0.00 56.01 55.99 1z3p n LEU 35 Cb 0.56 0.10 0.14 0.00 -2.33 0.00 0.00 43.42 41.89 1z3p n LEU 35 CO 0.54 0.49 0.41 0.35 -1.33 0.00 0.00 177.39 177.85 1z3p n THR 36 N -2.69 1.67 0.07 -5.08 -2.24 -0.84 -4.33 114.28 100.84 1z3p n THR 36 Ca -0.27 -2.32 -0.09 0.00 -2.27 0.00 0.00 64.05 59.10 1z3p n THR 36 Cb 0.95 -0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 69.02 1z3p n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1z3p h LYS 37 N 0.47 0.07 0.00 -0.78 1.57 -1.82 -3.35 116.57 112.73 1z3p h LYS 37 Ca -0.02 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1z3p h LYS 37 Cb 1.12 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1z3p h LYS 37 CO 0.01 1.03 -0.02 -0.40 -0.57 0.00 0.00 179.45 179.50 1z3p n ASP 38 N -3.42 1.91 0.00 0.86 5.68 -1.26 -5.08 116.55 115.24 1z3p n ASP 38 Ca -0.02 -2.36 0.00 0.00 -0.50 0.00 0.00 54.79 51.91 1z3p n ASP 38 Cb 0.94 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 1z3p n ASP 38 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1z3p n ARG 39 N -0.81 -1.46 -3.95 0.11 1.85 -1.26 -5.12 116.66 106.03 1z3p n ARG 39 Ca 0.06 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.57 1z3p n ARG 39 Cb 0.44 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.71 1z3p n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1z3p s LYS 41 N 1.33 4.47 0.15 0.00 2.20 -1.26 -4.98 119.74 121.65 1z3p s LYS 41 Ca 0.00 1.05 -0.20 0.00 -0.36 0.00 0.00 55.97 56.47 1z3p s LYS 41 Cb -0.17 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1z3p s LYS 41 CO -0.04 0.01 1.66 -1.35 -0.36 0.00 0.00 175.35 175.28 1z3p h PRO 42 N 6.79 -0.11 -3.72 4.03 0.11 -1.98 -3.42 132.00 133.70 1z3p h PRO 42 Ca -0.41 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.57 1z3p h PRO 42 Cb 1.20 0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.14 1z3p h PRO 42 CO 0.76 -0.07 -0.55 0.14 -0.21 0.00 0.00 178.00 178.07 1z3p s VAL 43 N -6.17 0.11 -0.13 3.15 -7.23 -1.26 -0.96 120.40 107.92 1z3p s VAL 43 Ca -0.14 -0.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 1z3p s VAL 43 Cb 0.12 -0.59 0.07 0.00 0.56 0.00 0.00 36.38 36.54 1z3p s VAL 43 CO 0.69 -0.50 0.72 0.21 -0.31 0.00 0.00 175.10 175.91 1z3p s ASN 44 N -1.71 -0.67 -0.05 4.85 2.47 -0.38 -5.01 114.94 114.45 1z3p s ASN 44 Ca -0.11 0.94 0.06 0.00 0.42 0.00 0.00 52.86 54.17 1z3p s ASN 44 Cb -0.05 0.83 -0.01 0.00 -1.45 0.00 0.00 41.25 40.56 1z3p s ASN 44 CO -0.01 -0.47 -0.24 -0.89 -3.72 0.00 0.00 177.10 171.76 1z3p s THR 45 N -0.66 1.98 -0.10 -5.21 2.01 -1.26 -0.44 115.64 111.97 1z3p s THR 45 Ca -0.07 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.91 1z3p s THR 45 Cb -0.02 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 1z3p s THR 45 CO 0.06 0.55 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.06 1z3p s PHE 46 N -0.21 2.80 -0.22 4.92 0.08 -0.38 -4.97 117.98 120.01 1z3p s PHE 46 Ca -0.02 -0.37 -0.07 0.00 0.12 0.00 0.00 56.93 56.60 1z3p s PHE 46 Cb -0.13 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1z3p s PHE 46 CO 0.03 0.01 0.06 0.08 -0.10 0.00 0.00 175.22 175.29 1z3p s VAL 47 N -0.17 4.47 -1.13 -0.44 1.01 -1.26 -0.90 120.40 121.97 1z3p s VAL 47 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1z3p s VAL 47 Cb -0.13 -3.05 0.26 0.00 0.00 0.00 0.00 36.38 33.46 1z3p s VAL 47 CO 0.03 0.39 1.84 1.41 0.00 0.00 0.00 175.10 178.77 1z3p n HIS 48 N 4.28 2.59 -4.14 5.22 -0.00 0.49 -4.92 115.22 118.74 1z3p n HIS 48 Ca -0.16 -2.64 -0.09 0.00 -0.00 0.00 0.00 57.72 54.83 1z3p n HIS 48 Cb 0.52 -1.43 -0.10 0.00 -0.00 0.00 0.00 29.99 28.98 1z3p n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1z3p s GLU 49 N -2.68 0.84 0.61 -0.41 0.41 -1.26 -4.57 118.70 111.63 1z3p s GLU 49 Ca 0.39 -1.37 -0.19 0.00 -0.41 0.00 0.00 54.97 53.40 1z3p s GLU 49 Cb 0.13 0.11 -0.03 0.00 -1.78 0.00 0.00 34.13 32.56 1z3p s GLU 49 CO -0.03 -0.16 1.25 -1.54 -0.49 0.00 0.00 175.26 174.28 1z3p s SER 50 N -3.02 4.97 0.21 -0.19 1.04 -1.26 -4.88 113.70 110.57 1z3p s SER 50 Ca 0.17 2.51 -0.09 0.00 0.48 0.00 0.00 55.95 59.02 1z3p s SER 50 Cb 0.07 -2.61 0.27 0.00 0.10 0.00 0.00 66.02 63.85 1z3p s SER 50 CO -0.03 -1.75 1.79 0.25 0.98 0.00 0.00 173.24 174.48 1z3p h LEU 51 N 0.80 0.45 -1.18 2.42 5.85 -2.00 -2.35 115.31 119.30 1z3p h LEU 51 Ca -0.51 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 1z3p h LEU 51 Cb 1.31 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1z3p h LEU 51 CO 0.54 0.28 0.03 0.00 -0.34 0.00 0.00 178.44 178.95 1z3p h ALA 52 N 1.38 1.33 0.00 1.25 0.00 -1.99 -0.98 119.26 120.25 1z3p h ALA 52 Ca 0.31 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1z3p h ALA 52 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1z3p h ALA 52 CO -0.23 0.46 -0.49 -0.44 0.00 0.00 0.00 179.25 178.56 1z3p h ASP 53 N 0.57 0.00 0.15 0.00 3.32 -1.80 -1.36 116.42 117.29 1z3p h ASP 53 Ca 0.12 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.90 1z3p h ASP 53 Cb 0.32 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.89 1z3p h ASP 53 CO 0.01 0.49 -1.11 0.58 -1.72 0.00 0.00 179.24 177.48 1z3p h VAL 54 N 0.00 1.31 -0.02 -1.35 2.07 -1.07 -3.18 116.25 114.01 1z3p h VAL 54 Ca -0.00 -2.41 -0.06 0.00 0.82 0.00 0.00 66.70 65.05 1z3p h VAL 54 Cb 0.89 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1z3p h VAL 54 CO 0.06 0.73 -0.27 1.56 0.02 0.00 0.00 177.57 179.67 1z3p h GLN 55 N 0.30 0.04 0.00 1.57 4.20 -1.00 -2.48 115.11 117.74 1z3p h GLN 55 Ca -0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1z3p h GLN 55 Cb 1.77 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.55 1z3p h GLN 55 CO 0.21 0.31 -0.02 0.00 -0.67 0.00 0.00 178.83 178.66 1z3p h ALA 56 N 1.69 1.08 0.00 3.87 0.00 -1.22 -2.55 119.26 122.12 1z3p h ALA 56 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1z3p h ALA 56 Cb 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1z3p h ALA 56 CO 0.04 0.02 -0.06 0.28 0.00 0.00 0.00 179.25 179.52 1z3p h VAL 57 N 0.00 0.67 0.00 0.00 2.07 -1.53 -2.57 116.25 114.89 1z3p h VAL 57 Ca -0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1z3p h VAL 57 Cb 0.17 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1z3p h VAL 57 CO 0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1z3p n SER 59 N -1.33 1.79 0.00 0.00 3.41 -0.97 -4.99 113.62 111.54 1z3p n SER 59 Ca 0.03 -3.09 0.00 0.00 -0.26 0.00 0.00 58.87 55.56 1z3p n SER 59 Cb 0.07 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1z3p n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1z3p n GLN 60 N -1.05 1.12 -2.41 4.33 6.02 -0.45 -5.00 117.38 119.93 1z3p n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1z3p n GLN 60 Cb 0.69 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.93 1z3p n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1z3p s LYS 61 N 4.37 3.83 0.04 -1.09 2.47 -1.05 -4.88 119.74 123.42 1z3p s LYS 61 Ca 0.00 1.14 -0.30 0.00 -1.56 0.00 0.00 55.97 55.25 1z3p s LYS 61 Cb 0.00 -3.91 -0.05 0.00 -1.46 0.00 0.00 37.83 32.40 1z3p s LYS 61 CO 0.00 -1.23 1.21 1.21 0.16 0.00 0.00 175.35 176.70 1z3p s ASN 62 N 3.04 7.06 0.10 1.43 3.04 -1.26 0.33 114.94 128.68 1z3p s ASN 62 Ca 0.57 2.00 -0.04 0.00 0.04 0.00 0.00 52.86 55.43 1z3p s ASN 62 Cb -0.16 -2.57 -0.03 0.00 -1.54 0.00 0.00 41.25 36.95 1z3p s ASN 62 CO 0.26 -0.50 0.09 0.68 -3.04 0.00 0.00 177.10 174.58 1z3p s VAL 63 N 1.31 0.15 0.42 -5.21 -7.23 -0.02 -4.91 120.40 104.90 1z3p s VAL 63 Ca 0.59 -1.64 -0.23 0.00 -1.81 0.00 0.00 61.98 58.89 1z3p s VAL 63 Cb -0.29 -1.68 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 1z3p s VAL 63 CO 0.28 -0.67 1.02 0.00 -0.31 0.00 0.00 175.10 175.42 1z3p s ALA 64 N -3.95 3.03 0.65 1.32 0.00 -1.26 -3.12 121.76 118.44 1z3p s ALA 64 Ca 0.13 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.63 1z3p s ALA 64 Cb 0.06 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.98 1z3p s ALA 64 CO -0.05 -0.15 0.97 0.00 0.00 0.00 0.00 175.76 176.53 1z3p h LYS 66 N -0.42 0.00 -0.03 0.00 1.57 -1.95 -0.08 116.57 115.66 1z3p h LYS 66 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1z3p h LYS 66 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1z3p h LYS 66 CO 0.61 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 1z3p n ASN 67 N -4.46 0.52 0.00 0.86 6.94 -1.26 -4.89 115.26 112.97 1z3p n ASN 67 Ca -0.01 -1.35 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 1z3p n ASN 67 Cb 0.18 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 1z3p n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1z3p n GLY 68 N 0.97 1.90 3.73 4.83 0.00 -0.04 -5.05 105.19 111.52 1z3p n GLY 68 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1z3p n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1z3p s GLN 69 N -0.75 1.74 -0.23 1.61 -1.52 -1.26 -4.61 119.66 114.65 1z3p s GLN 69 Ca 0.00 1.34 0.12 0.00 -1.95 0.00 0.00 55.36 54.87 1z3p s GLN 69 Cb 0.00 -1.83 0.45 0.00 -0.22 0.00 0.00 33.01 31.42 1z3p s GLN 69 CO 0.00 -2.06 1.34 0.25 -0.25 0.00 0.00 175.29 174.57 1z3p n THR 70 N -3.79 2.32 -1.37 -0.19 -2.24 -1.26 0.89 114.28 108.64 1z3p n THR 70 Ca 0.10 -2.71 -0.21 0.00 -2.27 0.00 0.00 64.05 58.97 1z3p n THR 70 Cb 0.53 -0.28 0.15 0.00 -2.10 0.00 0.00 70.33 68.63 1z3p n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1z3p n ASN 71 N -1.09 4.31 -4.69 3.42 6.94 -1.26 -4.75 115.26 118.13 1z3p n ASN 71 Ca 0.25 -3.71 -0.29 0.00 -0.02 0.00 0.00 54.58 50.81 1z3p n ASN 71 Cb 0.86 -0.78 -0.08 0.00 -2.36 0.00 0.00 39.78 37.42 1z3p n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1z3p s TYR 73 N -1.45 -0.01 -0.13 0.00 1.51 -0.19 -0.84 117.35 116.23 1z3p s TYR 73 Ca 0.27 0.03 -0.04 0.00 -1.01 0.00 0.00 57.07 56.32 1z3p s TYR 73 Cb -0.11 -0.00 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 1z3p s TYR 73 CO 0.19 -0.01 0.00 -1.14 -1.11 0.00 0.00 175.55 173.48 1z3p s GLN 74 N 0.04 3.44 0.38 -0.62 0.74 0.15 -1.77 119.66 122.02 1z3p s GLN 74 Ca -0.00 -0.43 -0.27 0.00 0.05 0.00 0.00 55.36 54.71 1z3p s GLN 74 Cb -0.00 -2.93 -0.09 0.00 1.10 0.00 0.00 33.01 31.08 1z3p s GLN 74 CO -0.00 0.45 1.29 -1.54 -0.55 0.00 0.00 175.29 174.94 1z3p s SER 75 N -0.19 6.51 0.31 6.67 1.04 -0.55 -2.54 113.70 124.95 1z3p s SER 75 Ca 0.05 2.63 0.02 0.00 0.48 0.00 0.00 55.95 59.13 1z3p s SER 75 Cb -0.12 -2.64 0.50 0.00 0.10 0.00 0.00 66.02 63.86 1z3p s SER 75 CO 0.02 -0.71 1.84 1.88 0.98 0.00 0.00 173.24 177.25 1z3p h TYR 76 N 2.94 0.67 -1.76 5.02 0.05 -1.96 -3.44 116.97 118.50 1z3p h TYR 76 Ca -0.49 -0.07 -0.58 0.00 0.05 0.00 0.00 58.73 57.64 1z3p h TYR 76 Cb 1.24 -0.19 -0.10 0.00 1.01 0.00 0.00 36.73 38.69 1z3p h TYR 76 CO 0.54 0.62 -0.56 -1.54 -1.05 0.00 0.00 178.16 176.17 1z3p s SER 77 N -6.68 4.28 0.47 3.88 1.04 -1.26 -5.07 113.70 110.35 1z3p s SER 77 Ca -0.08 -1.06 -0.19 0.00 0.48 0.00 0.00 55.95 55.10 1z3p s SER 77 Cb 0.15 -0.51 -0.10 0.00 0.10 0.00 0.00 66.02 65.67 1z3p s SER 77 CO 0.78 -0.39 0.97 0.42 0.98 0.00 0.00 173.24 176.00 1z3p s THR 78 N -2.57 4.43 0.16 2.02 -4.23 -1.26 -4.41 115.64 109.78 1z3p s THR 78 Ca 0.37 1.37 0.06 0.00 -1.18 0.00 0.00 61.69 62.32 1z3p s THR 78 Cb 0.03 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 1z3p s THR 78 CO 0.21 -0.46 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.65 1z3p s MET 79 N -3.53 1.16 -0.12 3.99 -1.94 0.83 -4.78 119.30 114.90 1z3p s MET 79 Ca 0.61 -1.42 -0.29 0.00 -1.71 0.00 0.00 55.69 52.87 1z3p s MET 79 Cb -0.10 -0.95 -0.02 0.00 2.01 0.00 0.00 34.83 35.77 1z3p s MET 79 CO 0.20 0.16 1.27 0.45 -0.01 0.00 0.00 175.02 177.10 1z3p s SER 80 N -2.93 6.95 0.07 3.03 0.15 -1.26 -1.50 113.70 118.21 1z3p s SER 80 Ca 0.16 1.77 0.01 0.00 0.70 0.00 0.00 55.95 58.59 1z3p s SER 80 Cb -0.02 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1z3p s SER 80 CO 0.04 -0.72 -0.05 0.27 1.20 0.00 0.00 173.24 173.97 1z3p s ILE 81 N 3.15 0.47 -0.11 6.45 -5.25 0.14 -0.38 121.20 125.68 1z3p s ILE 81 Ca 0.56 -1.63 0.02 0.00 -0.99 0.00 0.00 60.65 58.61 1z3p s ILE 81 Cb -0.23 -1.28 0.01 0.00 2.95 0.00 0.00 42.46 43.91 1z3p s ILE 81 CO 0.18 -0.78 -0.15 -0.89 -1.79 0.00 0.00 174.94 171.51 1z3p s THR 82 N -3.04 1.53 -0.14 8.37 2.01 -0.08 -1.40 115.64 122.88 1z3p s THR 82 Ca 0.03 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.25 1z3p s THR 82 Cb 0.01 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1z3p s THR 82 CO -0.05 0.45 0.27 -0.62 -0.69 0.00 0.00 174.62 173.98 1z3p s ASP 83 N 1.01 6.45 -0.18 3.53 2.15 0.79 -1.24 116.67 129.17 1z3p s ASP 83 Ca -0.06 0.52 -0.00 0.00 0.43 0.00 0.00 52.55 53.44 1z3p s ASP 83 Cb -0.15 -2.17 0.01 0.00 -0.30 0.00 0.00 42.92 40.32 1z3p s ASP 83 CO -0.02 0.16 -0.16 0.00 -0.17 0.00 0.00 175.17 174.98 1z3p s ARG 85 N 1.26 1.09 0.42 0.00 3.52 -0.94 -1.24 118.95 123.06 1z3p s ARG 85 Ca 0.04 -0.26 -0.27 0.00 -0.13 0.00 0.00 55.73 55.11 1z3p s ARG 85 Cb -0.14 -0.99 -0.10 0.00 -1.56 0.00 0.00 34.95 32.16 1z3p s ARG 85 CO -0.09 0.03 1.46 -1.21 -0.81 0.00 0.00 175.30 174.68 1z3p s GLU 86 N 0.55 3.89 0.81 5.12 2.02 -0.13 0.08 118.70 131.04 1z3p s GLU 86 Ca -0.09 2.50 -0.12 0.00 0.02 0.00 0.00 54.97 57.29 1z3p s GLU 86 Cb -0.12 -2.81 0.09 0.00 0.10 0.00 0.00 34.13 31.39 1z3p s GLU 86 CO 0.01 -0.69 1.17 0.95 0.02 0.00 0.00 175.26 176.73 1z3p s THR 87 N -1.16 2.03 0.36 3.63 -4.23 -0.77 -4.79 115.64 110.70 1z3p s THR 87 Ca 0.57 -0.04 0.23 0.00 -1.18 0.00 0.00 61.69 61.28 1z3p s THR 87 Cb -0.45 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 70.63 1z3p s THR 87 CO 0.60 0.00 1.97 1.23 -0.54 0.00 0.00 174.62 177.88 1z3p h GLY 88 N -1.05 0.00 -1.70 3.99 0.00 -1.94 -2.90 103.07 99.46 1z3p h GLY 88 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1z3p h GLY 88 CO 0.63 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.03 1z3p n SER 89 N -3.72 2.76 -4.74 0.19 3.41 -1.26 -4.96 113.62 105.30 1z3p n SER 89 Ca -0.01 -1.89 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 1z3p n SER 89 Cb 0.31 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1z3p n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1z3p s SER 90 N -1.73 6.68 -0.22 4.04 0.15 -1.10 -4.98 113.70 116.55 1z3p s SER 90 Ca 0.34 2.63 -0.13 0.00 0.70 0.00 0.00 55.95 59.50 1z3p s SER 90 Cb 0.21 -2.62 0.07 0.00 -1.71 0.00 0.00 66.02 61.97 1z3p s SER 90 CO 0.30 -0.69 0.54 -0.75 1.20 0.00 0.00 173.24 173.85 1z3p s LYS 91 N -0.25 0.55 0.42 5.44 2.20 -1.20 -4.94 119.74 121.95 1z3p s LYS 91 Ca 0.60 0.99 -0.25 0.00 -0.36 0.00 0.00 55.97 56.94 1z3p s LYS 91 Cb -0.41 0.06 -0.10 0.00 -1.51 0.00 0.00 37.83 35.87 1z3p s LYS 91 CO 0.42 -0.15 1.19 0.98 -0.36 0.00 0.00 175.35 177.43 1z3p n TYR 92 N 4.24 1.85 1.58 4.03 9.36 -1.26 -0.74 117.16 136.21 1z3p n TYR 92 Ca -0.21 0.52 0.15 0.00 3.32 0.00 0.00 57.90 61.68 1z3p n TYR 92 Cb 0.57 -2.33 0.68 0.00 -0.63 0.00 0.00 39.34 37.63 1z3p n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1z3p n PRO 93 N 0.09 0.97 -2.65 2.98 -0.04 -1.26 -4.97 135.00 130.13 1z3p n PRO 93 Ca 0.07 -0.33 -0.43 0.00 -0.04 0.00 0.00 63.50 62.78 1z3p n PRO 93 Cb 0.39 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1z3p n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1z3p n ASN 94 N -0.73 5.33 -4.77 3.54 3.02 0.08 -4.69 115.26 117.04 1z3p n ASN 94 Ca 0.18 -3.11 -0.39 0.00 -0.03 0.00 0.00 54.58 51.22 1z3p n ASN 94 Cb 0.25 -1.47 -0.03 0.00 -0.61 0.00 0.00 39.78 37.92 1z3p n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1z3p s ALA 96 N -1.27 0.75 0.09 0.00 0.00 -1.26 -3.12 121.76 116.95 1z3p s ALA 96 Ca 0.50 -0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.24 1z3p s ALA 96 Cb -0.33 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1z3p s ALA 96 CO 0.42 0.13 -0.17 0.71 0.00 0.00 0.00 175.76 176.84 1z3p s TYR 97 N 0.16 1.49 -0.18 0.00 1.51 -1.26 -1.85 117.35 117.21 1z3p s TYR 97 Ca -0.02 -0.44 -0.10 0.00 -1.01 0.00 0.00 57.07 55.50 1z3p s TYR 97 Cb -0.07 -0.82 -0.05 0.00 -0.11 0.00 0.00 41.96 40.91 1z3p s TYR 97 CO 0.00 0.13 0.14 0.21 -1.11 0.00 0.00 175.55 174.92 1z3p s LYS 98 N -1.86 4.05 -0.20 -0.62 2.20 0.11 -4.83 119.74 118.59 1z3p s LYS 98 Ca 0.02 -0.19 -0.09 0.00 -0.36 0.00 0.00 55.97 55.36 1z3p s LYS 98 Cb -0.10 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1z3p s LYS 98 CO 0.03 0.39 0.10 0.99 -0.36 0.00 0.00 175.35 176.50 1z3p s THR 99 N 0.09 5.05 -0.11 3.43 2.01 -1.26 -2.20 115.64 122.64 1z3p s THR 99 Ca 0.10 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 1z3p s THR 99 Cb -0.11 -3.30 0.03 0.00 0.01 0.00 0.00 72.50 69.13 1z3p s THR 99 CO -0.00 0.44 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.45 1z3p s THR 100 N 0.50 0.64 0.01 -0.82 2.01 -0.59 -4.99 115.64 112.39 1z3p s THR 100 Ca 0.05 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 1z3p s THR 100 Cb -0.12 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1z3p s THR 100 CO 0.00 0.19 0.36 -1.58 -0.69 0.00 0.00 174.62 172.90 1z3p s GLN 101 N 1.85 3.77 0.19 4.92 2.00 -1.26 -0.15 119.66 130.98 1z3p s GLN 101 Ca 0.03 0.22 -0.24 0.00 -2.00 0.00 0.00 55.36 53.37 1z3p s GLN 101 Cb -0.14 -3.13 0.05 0.00 0.80 0.00 0.00 33.01 30.60 1z3p s GLN 101 CO -0.07 0.65 0.84 0.00 -0.50 0.00 0.00 175.29 176.22 1z3p s ALA 102 N -1.20 -1.50 -0.21 1.58 0.00 -0.49 -4.99 121.76 114.94 1z3p s ALA 102 Ca 0.26 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1z3p s ALA 102 Cb -0.15 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.72 1z3p s ALA 102 CO 0.14 -0.99 -0.16 -0.80 0.00 0.00 0.00 175.76 173.95 1z3p s ASN 103 N -2.88 3.67 0.20 0.00 0.01 -1.26 -0.68 114.94 114.00 1z3p s ASN 103 Ca 0.10 -0.91 -0.14 0.00 -0.71 0.00 0.00 52.86 51.20 1z3p s ASN 103 Cb -0.03 -1.52 0.01 0.00 0.41 0.00 0.00 41.25 40.12 1z3p s ASN 103 CO 0.02 -0.07 0.45 -1.59 -1.51 0.00 0.00 177.10 174.39 1z3p s LYS 104 N 1.23 1.35 0.29 -0.60 -2.85 -0.56 -4.78 119.74 113.83 1z3p s LYS 104 Ca 0.00 -1.02 -0.28 0.00 -1.00 0.00 0.00 55.97 53.66 1z3p s LYS 104 Cb -0.16 0.47 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 1z3p s LYS 104 CO -0.10 -0.55 1.04 -1.01 0.10 0.00 0.00 175.35 174.83 1z3p s HIS 105 N -3.93 3.64 0.10 1.78 3.76 -1.26 -0.12 115.29 119.26 1z3p s HIS 105 Ca 0.14 1.75 0.04 0.00 -0.15 0.00 0.00 55.06 56.84 1z3p s HIS 105 Cb 0.00 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 1z3p s HIS 105 CO 0.00 -0.26 0.08 0.96 -0.85 0.00 0.00 174.74 174.68 1z3p s ILE 106 N -1.29 4.45 -0.13 0.60 -4.36 -1.26 0.43 121.20 119.64 1z3p s ILE 106 Ca 0.46 -0.88 -0.00 0.00 -0.26 0.00 0.00 60.65 59.98 1z3p s ILE 106 Cb -0.28 -3.18 0.02 0.00 1.25 0.00 0.00 42.46 40.28 1z3p s ILE 106 CO 0.35 0.06 -0.11 -0.63 0.24 0.00 0.00 174.94 174.85 1z3p s ILE 107 N -1.47 1.33 0.19 8.37 1.01 0.72 -1.49 121.20 129.86 1z3p s ILE 107 Ca 0.29 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.54 1z3p s ILE 107 Cb -0.12 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1z3p s ILE 107 CO 0.22 0.41 -0.18 0.68 0.00 0.00 0.00 174.94 176.07 1z3p s VAL 108 N 1.58 1.92 -0.17 2.92 -7.23 -0.73 -0.53 120.40 118.16 1z3p s VAL 108 Ca 0.05 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.08 1z3p s VAL 108 Cb -0.13 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1z3p s VAL 108 CO -0.10 -0.38 0.11 0.00 -0.31 0.00 0.00 175.10 174.42 1z3p s ALA 109 N -2.31 3.64 0.13 1.32 0.00 -0.29 -1.02 121.76 123.23 1z3p s ALA 109 Ca 0.19 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.55 1z3p s ALA 109 Cb -0.05 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1z3p s ALA 109 CO 0.08 0.29 -0.17 0.00 0.00 0.00 0.00 175.76 175.96 1z3p s GLU 111 N -2.26 1.67 1.12 0.00 2.02 -0.67 -4.90 118.70 115.68 1z3p s GLU 111 Ca 0.19 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1z3p s GLU 111 Cb -0.10 0.55 0.00 0.00 0.10 0.00 0.00 34.13 34.68 1z3p s GLU 111 CO 0.11 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.06 1z3p n GLY 112 N -0.42 -1.92 2.74 -1.39 0.00 -1.26 -2.35 105.19 100.59 1z3p n GLY 112 Ca -0.03 -1.36 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 1z3p n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1z3p s ASN 113 N -3.95 1.46 0.82 1.61 2.47 -1.26 -3.00 114.94 113.09 1z3p s ASN 113 Ca 0.00 -0.19 -0.13 0.00 0.42 0.00 0.00 52.86 52.97 1z3p s ASN 113 Cb 0.00 0.22 0.09 0.00 -1.45 0.00 0.00 41.25 40.11 1z3p s ASN 113 CO 0.00 -0.31 1.19 -2.16 -3.72 0.00 0.00 177.10 172.09 1z3p s PRO 114 N 2.28 1.58 -0.62 0.43 0.04 -1.26 -5.07 135.00 132.37 1z3p s PRO 114 Ca 0.05 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.50 1z3p s PRO 114 Cb -0.15 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1z3p s PRO 114 CO -0.10 -2.24 1.42 -0.47 0.04 0.00 0.00 177.00 175.64 1z3p s TYR 115 N -2.28 2.23 0.23 0.56 5.04 -1.16 -4.87 117.35 117.10 1z3p s TYR 115 Ca 0.71 0.36 0.04 0.00 -2.44 0.00 0.00 57.07 55.74 1z3p s TYR 115 Cb -0.27 -4.43 -0.05 0.00 0.35 0.00 0.00 41.96 37.56 1z3p s TYR 115 CO 0.52 -2.02 -0.01 0.14 -1.34 0.00 0.00 175.55 172.84 1z3p s VAL 116 N 6.26 1.10 0.27 3.14 -7.23 -0.99 -4.84 120.40 118.11 1z3p s VAL 116 Ca 0.49 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 1z3p s VAL 116 Cb -0.10 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.39 1z3p s VAL 116 CO 0.22 -0.33 1.39 -2.84 -0.31 0.00 0.00 175.10 173.23 1z3p s PRO 117 N -3.85 4.29 0.00 4.82 0.02 -1.26 -1.66 135.00 137.36 1z3p s PRO 117 Ca 0.28 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1z3p s PRO 117 Cb 0.05 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1z3p s PRO 117 CO 0.09 -0.35 0.00 1.33 -0.33 0.00 0.00 177.00 177.74 1z3p n VAL 118 N 1.85 0.00 -3.79 3.83 0.24 0.23 -4.91 118.33 115.77 1z3p n VAL 118 Ca 0.05 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 1z3p n VAL 118 Cb 0.41 0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 33.28 1z3p n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1z3p s HIS 119 N -1.04 -0.20 -0.54 6.34 3.76 -1.15 -4.99 115.29 117.47 1z3p s HIS 119 Ca 0.00 0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 55.18 1z3p s HIS 119 Cb 0.00 0.07 0.10 0.00 1.11 0.00 0.00 32.58 33.86 1z3p s HIS 119 CO 0.00 -0.23 0.54 0.12 -0.85 0.00 0.00 174.74 174.32 1z3p s PHE 120 N -0.52 3.16 -0.03 1.40 5.36 -1.26 -1.13 117.98 124.95 1z3p s PHE 120 Ca -0.06 -1.05 -0.25 0.00 -0.96 0.00 0.00 56.93 54.61 1z3p s PHE 120 Cb -0.04 -3.69 -0.19 0.00 -0.34 0.00 0.00 43.02 38.76 1z3p s PHE 120 CO 0.02 -1.05 1.15 0.22 -1.46 0.00 0.00 175.22 174.10 1z3p h ASP 121 N 8.95 -0.09 -1.30 6.13 3.58 -1.14 -3.49 116.42 129.06 1z3p h ASP 121 Ca -0.29 -0.44 0.18 0.00 0.42 0.00 0.00 57.03 56.90 1z3p h ASP 121 Cb 1.10 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.14 1z3p h ASP 121 CO 1.01 0.42 0.47 0.00 -2.88 0.00 0.00 179.24 178.26 1z3p n ALA 122 N -2.42 -1.91 -2.90 -0.78 0.00 -0.92 -5.00 120.51 106.58 1z3p n ALA 122 Ca -0.08 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 1z3p n ALA 122 Cb 0.26 0.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 1z3p n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1z3p s SER 123 N -2.52 0.23 0.00 0.00 0.01 -1.26 -0.20 113.70 109.96 1z3p s SER 123 Ca 0.16 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1z3p s SER 123 Cb -0.01 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1z3p s SER 123 CO 0.00 -0.12 0.35 0.52 0.41 0.00 0.00 173.24 174.40