#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbg s SER 22 N 0.00 3.53 0.00 6.43 0.01 -1.26 -4.94 113.70 117.46 1rbg s SER 22 Ca 0.00 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1rbg s SER 22 Cb 0.00 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.23 1rbg s SER 22 CO 0.00 -0.25 0.00 -1.20 0.41 0.00 0.00 173.24 172.20 1rbg n SER 23 N 4.79 0.00 -4.75 2.44 7.64 -1.26 -4.94 113.62 117.54 1rbg n SER 23 Ca -0.11 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.46 1rbg n SER 23 Cb 0.45 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.76 1rbg n SER 23 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1rbg s ASN 24 N 0.00 4.16 0.22 6.43 2.20 -1.26 -4.80 114.94 121.89 1rbg s ASN 24 Ca 0.00 1.79 -0.10 0.00 -0.94 0.00 0.00 52.86 53.61 1rbg s ASN 24 Cb 0.00 -2.46 0.32 0.00 -2.00 0.00 0.00 41.25 37.11 1rbg s ASN 24 CO 0.00 -2.25 1.67 0.22 -2.94 0.00 0.00 177.10 173.80 1rbg h TYR 25 N -1.28 0.02 -0.22 1.54 3.20 -1.98 -1.57 116.97 116.67 1rbg h TYR 25 Ca -0.45 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.45 1rbg h TYR 25 Cb 1.24 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 1rbg h TYR 25 CO 0.54 -0.15 0.06 0.00 -1.64 0.00 0.00 178.16 176.98 1rbg h ASN 27 N 0.19 0.92 -0.09 0.00 -0.26 -1.80 -0.38 115.58 114.16 1rbg h ASN 27 Ca 0.07 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.79 1rbg h ASN 27 Cb 0.25 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1rbg h ASN 27 CO -0.00 0.63 -0.01 1.56 -1.06 0.00 0.00 177.43 178.55 1rbg h GLN 28 N 1.08 0.15 0.00 0.81 4.20 -0.96 -2.89 115.11 117.50 1rbg h GLN 28 Ca 0.35 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.83 1rbg h GLN 28 Cb 0.01 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1rbg h GLN 28 CO -0.12 0.44 -0.80 1.98 -0.67 0.00 0.00 178.83 179.66 1rbg h MET 29 N -0.14 0.00 -0.43 1.46 4.05 -0.54 -0.64 114.93 118.68 1rbg h MET 29 Ca 0.02 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.35 1rbg h MET 29 Cb 0.37 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1rbg h MET 29 CO 0.01 0.80 -0.12 0.52 0.23 0.00 0.00 176.91 178.34 1rbg h MET 30 N 0.00 0.79 0.12 0.39 2.86 -1.12 0.22 114.93 118.20 1rbg h MET 30 Ca -0.01 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1rbg h MET 30 Cb 1.44 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1rbg h MET 30 CO 0.10 0.88 -0.06 -0.22 1.06 0.00 0.00 176.91 178.67 1rbg h LYS 31 N 0.71 -0.15 -0.77 1.72 1.63 -1.33 0.10 116.57 118.49 1rbg h LYS 31 Ca 0.12 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.02 1rbg h LYS 31 Cb 0.61 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.22 1rbg h LYS 31 CO 0.04 0.33 0.50 0.66 -3.45 0.00 0.00 179.45 177.54 1rbg h SER 32 N -0.81 0.64 -0.33 4.20 4.64 -1.00 -0.15 113.55 120.73 1rbg h SER 32 Ca -0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rbg h SER 32 Cb 0.56 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1rbg h SER 32 CO 0.03 0.38 0.00 0.54 -0.87 0.00 0.00 176.83 176.91 1rbg n ARG 33 N -4.50 2.50 -3.45 4.77 5.12 0.06 -4.88 116.66 116.27 1rbg n ARG 33 Ca 0.13 -1.50 -0.21 0.00 -1.93 0.00 0.00 57.85 54.34 1rbg n ARG 33 Cb 0.31 -1.63 0.07 0.00 -1.16 0.00 0.00 32.46 30.06 1rbg n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1rbg n ASN 34 N 0.45 -5.61 -0.08 0.55 4.05 -0.07 -4.91 115.26 109.64 1rbg n ASN 34 Ca 0.14 -0.48 -0.06 0.00 0.45 0.00 0.00 54.58 54.62 1rbg n ASN 34 Cb 0.55 -4.51 -0.16 0.00 1.23 0.00 0.00 39.78 36.90 1rbg n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1rbg n LEU 35 N -4.43 0.00 -0.30 1.20 4.32 0.32 -4.64 117.00 113.46 1rbg n LEU 35 Ca -0.01 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.05 1rbg n LEU 35 Cb 0.56 0.40 0.12 0.00 -1.62 0.00 0.00 43.42 42.88 1rbg n LEU 35 CO 0.57 0.40 0.45 0.35 -1.22 0.00 0.00 177.39 177.95 1rbg n THR 36 N -2.64 1.51 0.12 -5.08 -2.24 -0.97 -4.37 114.28 100.62 1rbg n THR 36 Ca -0.27 -1.97 -0.00 0.00 -2.27 0.00 0.00 64.05 59.54 1rbg n THR 36 Cb 1.04 -0.05 0.06 0.00 -2.10 0.00 0.00 70.33 69.28 1rbg n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rbg h LYS 37 N 0.21 0.00 0.00 -0.78 1.57 -1.82 -3.37 116.57 112.38 1rbg h LYS 37 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1rbg h LYS 37 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1rbg h LYS 37 CO 0.00 0.65 -0.19 -0.40 -0.57 0.00 0.00 179.45 178.94 1rbg n ASP 38 N -3.40 1.26 -3.64 0.86 5.68 -1.26 -5.07 116.55 110.98 1rbg n ASP 38 Ca 0.01 -2.45 0.01 0.00 -0.50 0.00 0.00 54.79 51.86 1rbg n ASP 38 Cb 0.74 -0.28 -0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1rbg n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rbg s ARG 39 N -1.43 0.46 -0.21 0.11 1.70 -1.26 -5.12 118.95 113.20 1rbg s ARG 39 Ca 0.15 -0.26 -0.05 0.00 -0.47 0.00 0.00 55.73 55.10 1rbg s ARG 39 Cb 0.13 0.15 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1rbg s ARG 39 CO 0.01 -0.21 -0.01 0.00 -1.08 0.00 0.00 175.30 174.02 1rbg s LYS 41 N 1.15 4.23 0.16 0.00 2.20 -1.26 -5.00 119.74 121.22 1rbg s LYS 41 Ca 0.03 0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 56.02 1rbg s LYS 41 Cb -0.14 -3.36 0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1rbg s LYS 41 CO 0.01 0.35 1.63 -1.35 -0.36 0.00 0.00 175.35 175.62 1rbg h PRO 42 N 5.95 0.91 -3.54 4.03 0.11 -1.98 -3.42 132.00 134.05 1rbg h PRO 42 Ca -0.45 -0.27 -0.15 0.00 0.11 0.00 0.00 66.00 65.24 1rbg h PRO 42 Cb 1.19 -0.09 -0.21 0.00 0.11 0.00 0.00 31.00 32.00 1rbg h PRO 42 CO 0.71 0.91 -0.51 0.14 -0.21 0.00 0.00 178.00 179.03 1rbg s VAL 43 N -5.09 0.08 -0.09 3.15 -7.23 -1.26 -0.93 120.40 109.02 1rbg s VAL 43 Ca -0.12 -0.66 -0.22 0.00 -1.81 0.00 0.00 61.98 59.17 1rbg s VAL 43 Cb 0.12 -0.40 0.05 0.00 0.56 0.00 0.00 36.38 36.71 1rbg s VAL 43 CO 0.82 -0.36 0.53 0.21 -0.31 0.00 0.00 175.10 175.99 1rbg s ASN 44 N -1.28 -0.49 -0.10 4.85 2.47 -0.66 -5.01 114.94 114.71 1rbg s ASN 44 Ca -0.14 0.67 0.02 0.00 0.42 0.00 0.00 52.86 53.83 1rbg s ASN 44 Cb -0.07 0.67 -0.01 0.00 -1.45 0.00 0.00 41.25 40.38 1rbg s ASN 44 CO 0.01 -0.42 -0.17 -0.89 -3.72 0.00 0.00 177.10 171.91 1rbg s THR 45 N -0.74 2.76 -0.11 -5.21 2.01 -1.26 -0.94 115.64 112.16 1rbg s THR 45 Ca -0.08 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 1rbg s THR 45 Cb -0.03 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1rbg s THR 45 CO 0.05 0.55 0.00 -0.36 -0.69 0.00 0.00 174.62 174.17 1rbg s PHE 46 N 0.10 3.15 -0.20 4.92 0.08 -0.22 -4.97 117.98 120.85 1rbg s PHE 46 Ca -0.08 0.10 -0.06 0.00 0.12 0.00 0.00 56.93 57.02 1rbg s PHE 46 Cb -0.15 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1rbg s PHE 46 CO 0.05 0.36 0.04 0.08 -0.10 0.00 0.00 175.22 175.65 1rbg s VAL 47 N -0.56 4.39 -1.02 -0.44 1.01 -1.26 -0.44 120.40 122.08 1rbg s VAL 47 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1rbg s VAL 47 Cb -0.12 -2.99 0.31 0.00 0.00 0.00 0.00 36.38 33.59 1rbg s VAL 47 CO 0.02 0.43 1.61 1.41 0.00 0.00 0.00 175.10 178.58 1rbg n HIS 48 N 3.97 2.61 -4.16 5.22 -0.00 0.03 -4.92 115.22 117.97 1rbg n HIS 48 Ca -0.17 -2.67 -0.10 0.00 -0.00 0.00 0.00 57.72 54.78 1rbg n HIS 48 Cb 0.52 -1.17 -0.10 0.00 -0.00 0.00 0.00 29.99 29.24 1rbg n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rbg s GLU 49 N -3.59 0.90 0.51 -0.41 0.41 -1.26 -4.56 118.70 110.70 1rbg s GLU 49 Ca 0.36 -1.41 -0.21 0.00 -0.41 0.00 0.00 54.97 53.30 1rbg s GLU 49 Cb 0.13 0.10 -0.06 0.00 -1.78 0.00 0.00 34.13 32.52 1rbg s GLU 49 CO -0.02 -0.19 1.17 -1.54 -0.49 0.00 0.00 175.26 174.18 1rbg s SER 50 N -3.05 5.83 0.27 -0.19 1.04 -1.26 -4.88 113.70 111.46 1rbg s SER 50 Ca 0.20 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.93 1rbg s SER 50 Cb 0.07 -2.60 0.56 0.00 0.10 0.00 0.00 66.02 64.15 1rbg s SER 50 CO -0.00 -1.15 1.79 0.25 0.98 0.00 0.00 173.24 175.11 1rbg h LEU 51 N 1.55 0.72 -0.88 2.42 5.85 -2.00 -2.38 115.31 120.60 1rbg h LEU 51 Ca -0.50 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.18 1rbg h LEU 51 Cb 1.26 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1rbg h LEU 51 CO 0.58 0.34 -0.55 0.00 -0.34 0.00 0.00 178.44 178.48 1rbg h ALA 52 N 1.55 1.06 -0.08 1.25 0.00 -1.98 0.41 119.26 121.47 1rbg h ALA 52 Ca 0.49 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1rbg h ALA 52 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1rbg h ALA 52 CO -0.32 0.68 -0.59 -0.44 0.00 0.00 0.00 179.25 178.59 1rbg h ASP 53 N 0.00 0.28 0.09 0.00 3.32 -1.82 -0.28 116.42 118.02 1rbg h ASP 53 Ca -0.01 -0.16 -0.21 0.00 0.02 0.00 0.00 57.03 56.67 1rbg h ASP 53 Cb 0.99 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1rbg h ASP 53 CO 0.07 0.80 -0.82 0.58 -1.72 0.00 0.00 179.24 178.16 1rbg h VAL 54 N 0.19 1.33 -0.10 -1.35 2.07 -0.96 -3.11 116.25 114.33 1rbg h VAL 54 Ca -0.00 -2.14 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 1rbg h VAL 54 Cb 1.08 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1rbg h VAL 54 CO 0.09 0.66 -0.06 1.56 0.02 0.00 0.00 177.57 179.83 1rbg h GLN 55 N 0.38 0.14 0.00 1.57 4.20 -0.66 -2.21 115.11 118.53 1rbg h GLN 55 Ca -0.06 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1rbg h GLN 55 Cb 1.43 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.18 1rbg h GLN 55 CO 0.15 0.22 -0.03 0.00 -0.67 0.00 0.00 178.83 178.50 1rbg h ALA 56 N 1.80 1.27 0.00 3.87 0.00 -0.97 -2.66 119.26 122.57 1rbg h ALA 56 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rbg h ALA 56 Cb 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1rbg h ALA 56 CO 0.01 0.04 -0.05 0.28 0.00 0.00 0.00 179.25 179.53 1rbg h VAL 57 N 0.00 0.51 0.00 0.00 2.07 -1.47 -2.55 116.25 114.81 1rbg h VAL 57 Ca -0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1rbg h VAL 57 Cb 0.12 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1rbg h VAL 57 CO 0.00 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1rbg n SER 59 N -1.31 2.08 0.00 0.00 3.41 -0.96 -5.00 113.62 111.83 1rbg n SER 59 Ca 0.06 -3.56 0.00 0.00 -0.26 0.00 0.00 58.87 55.10 1rbg n SER 59 Cb 0.10 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1rbg n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rbg n GLN 60 N -1.22 0.00 -2.82 4.33 6.02 -0.29 -5.00 117.38 118.40 1rbg n GLN 60 Ca 0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 1rbg n GLN 60 Cb 0.70 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.92 1rbg n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rbg s LYS 61 N 3.93 3.99 0.08 -1.09 2.47 -1.08 -4.88 119.74 123.16 1rbg s LYS 61 Ca 0.00 0.77 -0.31 0.00 -1.56 0.00 0.00 55.97 54.88 1rbg s LYS 61 Cb 0.00 -3.74 -0.06 0.00 -1.46 0.00 0.00 37.83 32.57 1rbg s LYS 61 CO 0.00 -0.78 1.20 1.21 0.16 0.00 0.00 175.35 177.14 1rbg s ASN 62 N 1.64 7.08 0.19 1.43 3.04 -1.26 -0.59 114.94 126.47 1rbg s ASN 62 Ca 0.38 2.05 -0.01 0.00 0.04 0.00 0.00 52.86 55.32 1rbg s ASN 62 Cb -0.13 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.95 1rbg s ASN 62 CO 0.14 -0.45 0.12 0.68 -3.04 0.00 0.00 177.10 174.54 1rbg s VAL 63 N 0.88 0.05 0.33 -5.21 -7.23 -0.59 -4.93 120.40 103.70 1rbg s VAL 63 Ca 0.58 -1.99 -0.26 0.00 -1.81 0.00 0.00 61.98 58.50 1rbg s VAL 63 Cb -0.30 -2.44 -0.09 0.00 0.56 0.00 0.00 36.38 34.11 1rbg s VAL 63 CO 0.30 -0.07 1.00 0.00 -0.31 0.00 0.00 175.10 176.02 1rbg s ALA 64 N -4.12 3.21 0.68 1.32 0.00 -1.26 -3.22 121.76 118.38 1rbg s ALA 64 Ca 0.37 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 1rbg s ALA 64 Cb 0.07 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1rbg s ALA 64 CO 0.11 0.01 1.06 0.00 0.00 0.00 0.00 175.76 176.94 1rbg h LYS 66 N -0.61 0.00 -0.12 0.00 1.57 -1.92 0.59 116.57 116.09 1rbg h LYS 66 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1rbg h LYS 66 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1rbg h LYS 66 CO 0.60 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 1rbg n ASN 67 N -4.12 1.02 0.00 0.86 0.23 -1.26 -4.95 115.26 107.05 1rbg n ASN 67 Ca 0.14 -1.68 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 1rbg n ASN 67 Cb 0.82 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.44 1rbg n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rbg n GLY 68 N 0.96 2.92 3.80 4.83 0.00 0.20 -5.03 105.19 112.87 1rbg n GLY 68 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1rbg n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rbg s GLN 69 N -0.29 2.49 -0.28 1.61 -0.21 -1.26 -4.63 119.66 117.08 1rbg s GLN 69 Ca 0.00 0.93 0.09 0.00 0.02 0.00 0.00 55.36 56.39 1rbg s GLN 69 Cb 0.00 -1.94 0.49 0.00 1.00 0.00 0.00 33.01 32.56 1rbg s GLN 69 CO 0.00 -1.41 1.41 0.25 -2.12 0.00 0.00 175.29 173.42 1rbg n THR 70 N -3.34 2.51 -1.35 -0.19 -2.24 -1.26 -0.38 114.28 108.03 1rbg n THR 70 Ca 0.08 -2.95 -0.26 0.00 -2.27 0.00 0.00 64.05 58.65 1rbg n THR 70 Cb 0.54 -0.36 0.13 0.00 -2.10 0.00 0.00 70.33 68.54 1rbg n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rbg n ASN 71 N -1.10 5.27 -4.78 3.42 6.94 -1.26 -4.74 115.26 119.01 1rbg n ASN 71 Ca 0.32 -3.72 -0.28 0.00 -0.02 0.00 0.00 54.58 50.88 1rbg n ASN 71 Cb 0.96 -0.84 -0.06 0.00 -2.36 0.00 0.00 39.78 37.48 1rbg n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rbg s TYR 73 N -1.58 -0.12 -0.15 0.00 1.51 0.37 -1.53 117.35 115.84 1rbg s TYR 73 Ca 0.30 0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 56.62 1rbg s TYR 73 Cb -0.11 0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.74 1rbg s TYR 73 CO 0.22 -0.06 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.43 1rbg s GLN 74 N 0.13 3.64 0.34 -0.62 0.74 0.24 -1.38 119.66 122.75 1rbg s GLN 74 Ca -0.01 -0.50 -0.29 0.00 0.05 0.00 0.00 55.36 54.62 1rbg s GLN 74 Cb -0.02 -2.92 -0.11 0.00 1.10 0.00 0.00 33.01 31.07 1rbg s GLN 74 CO -0.00 0.28 1.38 -1.54 -0.55 0.00 0.00 175.29 174.86 1rbg s SER 75 N 0.27 6.62 0.29 6.67 1.04 -0.54 -2.64 113.70 125.40 1rbg s SER 75 Ca -0.02 2.81 -0.01 0.00 0.48 0.00 0.00 55.95 59.20 1rbg s SER 75 Cb -0.14 -2.65 0.43 0.00 0.10 0.00 0.00 66.02 63.76 1rbg s SER 75 CO 0.03 -0.67 1.90 1.88 0.98 0.00 0.00 173.24 177.36 1rbg h TYR 76 N 3.45 0.94 -1.70 5.02 0.05 -1.96 -3.44 116.97 119.32 1rbg h TYR 76 Ca -0.49 -0.03 -0.53 0.00 0.05 0.00 0.00 58.73 57.73 1rbg h TYR 76 Cb 1.23 -0.30 -0.06 0.00 1.01 0.00 0.00 36.73 38.61 1rbg h TYR 76 CO 0.55 0.68 -0.47 0.45 -1.05 0.00 0.00 178.16 178.33 1rbg s SER 77 N -6.45 4.84 0.53 3.88 0.15 -1.26 -5.07 113.70 110.32 1rbg s SER 77 Ca -0.11 -0.78 -0.18 0.00 0.70 0.00 0.00 55.95 55.58 1rbg s SER 77 Cb 0.17 -0.67 -0.07 0.00 -1.71 0.00 0.00 66.02 63.74 1rbg s SER 77 CO 0.80 -0.47 1.03 0.42 1.20 0.00 0.00 173.24 176.22 1rbg s THR 78 N -2.46 4.00 0.11 6.45 -4.23 -1.26 -4.38 115.64 113.87 1rbg s THR 78 Ca 0.42 1.06 0.06 0.00 -1.18 0.00 0.00 61.69 62.05 1rbg s THR 78 Cb -0.02 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1rbg s THR 78 CO 0.25 -0.44 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.70 1rbg s MET 79 N -3.74 0.99 -0.06 3.99 -1.94 0.14 -4.78 119.30 113.89 1rbg s MET 79 Ca 0.64 -1.18 -0.30 0.00 -1.71 0.00 0.00 55.69 53.14 1rbg s MET 79 Cb -0.14 -0.91 -0.05 0.00 2.01 0.00 0.00 34.83 35.74 1rbg s MET 79 CO 0.28 0.18 1.54 0.45 -0.01 0.00 0.00 175.02 177.47 1rbg s SER 80 N -2.28 6.74 0.05 3.03 0.15 -1.26 -1.10 113.70 119.03 1rbg s SER 80 Ca 0.07 2.12 0.02 0.00 0.70 0.00 0.00 55.95 58.86 1rbg s SER 80 Cb -0.06 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1rbg s SER 80 CO 0.03 -0.86 -0.08 0.27 1.20 0.00 0.00 173.24 173.79 1rbg s ILE 81 N 3.64 0.60 -0.18 6.45 -5.25 0.53 -0.79 121.20 126.19 1rbg s ILE 81 Ca 0.68 -1.15 -0.00 0.00 -0.99 0.00 0.00 60.65 59.19 1rbg s ILE 81 Cb -0.31 -0.71 0.01 0.00 2.95 0.00 0.00 42.46 44.40 1rbg s ILE 81 CO 0.26 -0.40 -0.15 -0.89 -1.79 0.00 0.00 174.94 171.97 1rbg s THR 82 N -1.50 2.53 -0.06 8.37 2.01 0.42 -1.44 115.64 125.96 1rbg s THR 82 Ca -0.08 -0.80 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 1rbg s THR 82 Cb -0.09 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 1rbg s THR 82 CO 0.00 0.51 0.56 -1.81 -0.69 0.00 0.00 174.62 173.19 1rbg s ASP 83 N 1.13 6.85 -0.21 3.53 1.01 0.10 -1.05 116.67 128.03 1rbg s ASP 83 Ca 0.01 1.02 -0.02 0.00 0.71 0.00 0.00 52.55 54.26 1rbg s ASP 83 Cb -0.14 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1rbg s ASP 83 CO -0.06 0.02 -0.08 0.00 0.21 0.00 0.00 175.17 175.26 1rbg s ARG 85 N 1.41 1.24 0.32 0.00 3.52 -0.17 -1.65 118.95 123.62 1rbg s ARG 85 Ca 0.05 -0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 55.00 1rbg s ARG 85 Cb -0.14 -1.11 -0.12 0.00 -1.56 0.00 0.00 34.95 32.02 1rbg s ARG 85 CO -0.06 0.09 1.46 0.39 -0.81 0.00 0.00 175.30 176.37 1rbg n GLU 86 N 3.48 2.45 -1.39 5.12 1.02 -0.11 -0.08 120.64 131.13 1rbg n GLU 86 Ca -0.20 0.87 -0.29 0.00 -0.02 0.00 0.00 57.16 57.51 1rbg n GLU 86 Cb 0.53 -2.57 0.14 0.00 -0.02 0.00 0.00 31.44 29.52 1rbg n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1rbg s THR 87 N -0.58 2.33 0.41 2.62 -4.23 -0.50 -4.80 115.64 110.89 1rbg s THR 87 Ca 0.60 0.11 0.35 0.00 -1.18 0.00 0.00 61.69 61.56 1rbg s THR 87 Cb -0.53 -2.75 0.37 0.00 1.34 0.00 0.00 72.50 70.93 1rbg s THR 87 CO 0.56 -0.14 2.15 1.23 -0.54 0.00 0.00 174.62 177.88 1rbg h GLY 88 N -1.53 0.00 -2.72 3.99 0.00 -1.94 -2.72 103.07 98.15 1rbg h GLY 88 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1rbg h GLY 88 CO 0.59 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.99 1rbg n SER 89 N -3.32 4.18 -4.77 0.19 3.41 -1.26 -4.94 113.62 107.10 1rbg n SER 89 Ca -0.02 -2.48 -0.38 0.00 -0.26 0.00 0.00 58.87 55.74 1rbg n SER 89 Cb 0.20 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 1rbg n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rbg s SER 90 N -0.75 6.70 -0.15 4.04 0.15 -1.03 -4.89 113.70 117.77 1rbg s SER 90 Ca 0.42 0.83 -0.07 0.00 0.70 0.00 0.00 55.95 57.82 1rbg s SER 90 Cb 0.29 -2.25 0.06 0.00 -1.71 0.00 0.00 66.02 62.40 1rbg s SER 90 CO 0.17 0.16 0.35 -0.75 1.20 0.00 0.00 173.24 174.37 1rbg s LYS 91 N -0.15 0.30 0.29 5.44 2.20 -1.17 -4.92 119.74 121.72 1rbg s LYS 91 Ca 0.23 0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 56.30 1rbg s LYS 91 Cb -0.15 0.00 -0.13 0.00 -1.51 0.00 0.00 37.83 36.04 1rbg s LYS 91 CO 0.11 -0.19 1.27 0.98 -0.36 0.00 0.00 175.35 177.15 1rbg n TYR 92 N 4.56 2.00 1.54 4.03 9.36 -1.26 0.26 117.16 137.66 1rbg n TYR 92 Ca -0.19 0.55 0.15 0.00 3.32 0.00 0.00 57.90 61.72 1rbg n TYR 92 Cb 0.53 -2.39 0.74 0.00 -0.63 0.00 0.00 39.34 37.59 1rbg n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rbg n PRO 93 N 1.13 0.66 -1.99 2.98 -0.04 -1.26 -4.95 135.00 131.53 1rbg n PRO 93 Ca 0.08 -0.10 -0.40 0.00 -0.04 0.00 0.00 63.50 63.04 1rbg n PRO 93 Cb 0.33 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1rbg n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rbg n ASN 94 N -1.08 7.75 -4.77 3.54 3.02 0.14 -4.93 115.26 118.93 1rbg n ASN 94 Ca 0.16 -3.10 -0.40 0.00 -0.03 0.00 0.00 54.58 51.21 1rbg n ASN 94 Cb 0.23 -1.39 -0.00 0.00 -0.61 0.00 0.00 39.78 38.01 1rbg n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rbg s ALA 96 N -1.20 0.16 0.08 0.00 0.00 -1.26 0.21 121.76 119.75 1rbg s ALA 96 Ca 0.56 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.59 1rbg s ALA 96 Cb -0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1rbg s ALA 96 CO 0.54 0.00 -0.17 0.71 0.00 0.00 0.00 175.76 176.85 1rbg s TYR 97 N 0.25 1.42 -0.18 0.00 1.51 -1.26 -1.41 117.35 117.68 1rbg s TYR 97 Ca -0.02 -0.45 -0.09 0.00 -1.01 0.00 0.00 57.07 55.50 1rbg s TYR 97 Cb -0.04 -0.79 -0.05 0.00 -0.11 0.00 0.00 41.96 40.98 1rbg s TYR 97 CO -0.01 0.11 0.12 0.15 -1.11 0.00 0.00 175.55 174.82 1rbg s LYS 98 N -1.81 3.99 -0.27 -0.62 -0.14 0.88 -4.83 119.74 116.94 1rbg s LYS 98 Ca 0.01 -0.22 -0.11 0.00 -1.36 0.00 0.00 55.97 54.29 1rbg s LYS 98 Cb -0.10 -3.34 -0.05 0.00 -1.68 0.00 0.00 37.83 32.66 1rbg s LYS 98 CO 0.03 0.41 0.18 0.99 -0.76 0.00 0.00 175.35 176.20 1rbg s THR 99 N 0.05 5.30 -0.17 2.17 2.01 -1.26 -1.00 115.64 122.74 1rbg s THR 99 Ca 0.09 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.26 1rbg s THR 99 Cb -0.11 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 68.91 1rbg s THR 99 CO -0.00 0.27 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.17 1rbg s THR 100 N 1.61 1.67 0.03 -0.82 2.01 0.24 -4.97 115.64 115.40 1rbg s THR 100 Ca 0.07 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 1rbg s THR 100 Cb -0.15 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 1rbg s THR 100 CO 0.09 0.38 0.33 -1.58 -0.69 0.00 0.00 174.62 173.15 1rbg s GLN 101 N 1.43 3.67 0.18 4.92 2.00 -1.26 0.03 119.66 130.63 1rbg s GLN 101 Ca 0.03 0.06 -0.24 0.00 -2.00 0.00 0.00 55.36 53.21 1rbg s GLN 101 Cb -0.14 -3.06 0.05 0.00 0.80 0.00 0.00 33.01 30.66 1rbg s GLN 101 CO -0.10 0.62 0.80 0.00 -0.50 0.00 0.00 175.29 176.11 1rbg s ALA 102 N -1.31 -1.50 -0.22 1.58 0.00 -0.52 -4.99 121.76 114.80 1rbg s ALA 102 Ca 0.29 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.40 1rbg s ALA 102 Cb -0.14 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.76 1rbg s ALA 102 CO 0.16 -0.95 -0.13 -0.80 0.00 0.00 0.00 175.76 174.04 1rbg s ASN 103 N -2.84 3.82 0.05 0.00 0.01 -1.26 -0.35 114.94 114.36 1rbg s ASN 103 Ca 0.09 -1.07 -0.01 0.00 -0.71 0.00 0.00 52.86 51.16 1rbg s ASN 103 Cb -0.03 -1.43 -0.04 0.00 0.41 0.00 0.00 41.25 40.17 1rbg s ASN 103 CO 0.00 -0.14 -0.03 -0.54 -1.51 0.00 0.00 177.10 174.89 1rbg s LYS 104 N 1.24 0.57 0.30 -0.60 1.02 -0.26 -4.76 119.74 117.25 1rbg s LYS 104 Ca -0.03 -1.14 -0.28 0.00 0.02 0.00 0.00 55.97 54.54 1rbg s LYS 104 Cb -0.17 0.20 -0.09 0.00 -0.52 0.00 0.00 37.83 37.24 1rbg s LYS 104 CO -0.08 -0.10 0.99 -1.01 -0.92 0.00 0.00 175.35 174.23 1rbg s HIS 105 N -3.61 3.69 0.10 3.18 3.76 -1.26 0.23 115.29 121.38 1rbg s HIS 105 Ca 0.04 1.79 0.05 0.00 -0.15 0.00 0.00 55.06 56.78 1rbg s HIS 105 Cb 0.06 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 1rbg s HIS 105 CO -0.09 -0.01 0.03 0.96 -0.85 0.00 0.00 174.74 174.78 1rbg s ILE 106 N -1.39 4.16 -0.16 0.60 -4.36 -1.26 -0.57 121.20 118.22 1rbg s ILE 106 Ca 0.47 -0.96 0.01 0.00 -0.26 0.00 0.00 60.65 59.91 1rbg s ILE 106 Cb -0.24 -3.00 0.02 0.00 1.25 0.00 0.00 42.46 40.48 1rbg s ILE 106 CO 0.31 0.09 -0.18 -0.63 0.24 0.00 0.00 174.94 174.77 1rbg s ILE 107 N -1.38 1.86 0.12 8.37 1.09 0.76 -1.47 121.20 130.55 1rbg s ILE 107 Ca 0.27 -0.83 0.10 0.00 -1.10 0.00 0.00 60.65 59.09 1rbg s ILE 107 Cb -0.12 -1.70 -0.04 0.00 -1.06 0.00 0.00 42.46 39.55 1rbg s ILE 107 CO 0.20 0.51 -0.24 0.68 -0.10 0.00 0.00 174.94 175.99 1rbg s VAL 108 N 1.27 1.98 -0.12 2.92 -7.23 -0.48 -0.15 120.40 118.59 1rbg s VAL 108 Ca 0.03 -1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 58.44 1rbg s VAL 108 Cb -0.13 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1rbg s VAL 108 CO -0.10 0.01 0.21 0.00 -0.31 0.00 0.00 175.10 174.91 1rbg s ALA 109 N -1.12 3.76 0.04 1.32 0.00 -0.64 -0.48 121.76 124.64 1rbg s ALA 109 Ca 0.10 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.60 1rbg s ALA 109 Cb -0.10 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1rbg s ALA 109 CO 0.05 0.41 -0.25 0.00 0.00 0.00 0.00 175.76 175.97 1rbg s GLU 111 N -1.21 1.18 0.24 0.00 2.02 -0.70 -4.89 118.70 115.34 1rbg s GLU 111 Ca 0.10 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1rbg s GLU 111 Cb -0.10 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.56 1rbg s GLU 111 CO 0.02 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.25 1rbg n GLY 112 N -0.24 -2.47 2.75 -1.39 0.00 -1.26 -1.95 105.19 100.63 1rbg n GLY 112 Ca -0.10 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 43.89 1rbg n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbg s ASN 113 N -2.84 1.56 0.59 1.61 3.84 -1.26 -2.89 114.94 115.54 1rbg s ASN 113 Ca 0.00 -0.48 -0.18 0.00 0.21 0.00 0.00 52.86 52.41 1rbg s ASN 113 Cb 0.00 0.44 -0.04 0.00 -0.55 0.00 0.00 41.25 41.10 1rbg s ASN 113 CO 0.00 -0.36 1.16 -2.16 -2.79 0.00 0.00 177.10 172.95 1rbg s PRO 114 N 2.34 3.08 -0.59 0.43 0.04 -1.26 -5.08 135.00 133.96 1rbg s PRO 114 Ca 0.08 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 1rbg s PRO 114 Cb -0.15 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1rbg s PRO 114 CO -0.22 -1.08 1.59 -0.47 0.04 0.00 0.00 177.00 176.86 1rbg s TYR 115 N -1.81 2.00 0.15 0.56 5.04 -1.14 -4.86 117.35 117.30 1rbg s TYR 115 Ca 0.74 0.52 0.07 0.00 -2.44 0.00 0.00 57.07 55.95 1rbg s TYR 115 Cb -0.26 -4.30 -0.04 0.00 0.35 0.00 0.00 41.96 37.72 1rbg s TYR 115 CO 0.32 -2.20 -0.14 0.14 -1.34 0.00 0.00 175.55 172.32 1rbg s VAL 116 N 7.22 1.49 0.19 3.14 -7.23 -0.82 -4.83 120.40 119.56 1rbg s VAL 116 Ca 0.57 -1.92 -0.32 0.00 -1.81 0.00 0.00 61.98 58.50 1rbg s VAL 116 Cb -0.12 -1.76 -0.12 0.00 0.56 0.00 0.00 36.38 34.94 1rbg s VAL 116 CO 0.22 -0.49 1.71 -2.65 -0.31 0.00 0.00 175.10 173.58 1rbg n PRO 117 N 0.17 2.63 -0.00 4.82 -0.02 -1.26 -1.72 135.00 139.61 1rbg n PRO 117 Ca -0.12 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1rbg n PRO 117 Cb 0.58 -2.79 -0.01 0.00 -0.02 0.00 0.00 33.50 31.27 1rbg n PRO 117 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1rbg n VAL 118 N 3.93 0.01 -3.93 -1.45 0.24 -0.28 -4.91 118.33 111.94 1rbg n VAL 118 Ca 0.16 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.34 62.34 1rbg n VAL 118 Cb 0.34 0.28 -0.10 0.00 -1.47 0.00 0.00 33.84 32.88 1rbg n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1rbg s HIS 119 N -2.07 0.16 -0.35 6.34 3.76 -1.17 -4.99 115.29 116.96 1rbg s HIS 119 Ca -0.00 -0.36 -0.12 0.00 -0.15 0.00 0.00 55.06 54.43 1rbg s HIS 119 Cb 0.01 -0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.58 1rbg s HIS 119 CO 0.05 -0.27 0.22 0.12 -0.85 0.00 0.00 174.74 174.01 1rbg s PHE 120 N -1.67 3.22 -0.04 1.40 5.36 -1.26 -1.63 117.98 123.37 1rbg s PHE 120 Ca -0.13 -0.57 -0.04 0.00 -0.96 0.00 0.00 56.93 55.23 1rbg s PHE 120 Cb -0.07 -2.45 -0.27 0.00 -0.34 0.00 0.00 43.02 39.88 1rbg s PHE 120 CO -0.01 -0.50 0.70 0.22 -1.46 0.00 0.00 175.22 174.17 1rbg h ASP 121 N 8.46 0.40 0.00 6.13 3.58 -0.88 -3.49 116.42 130.62 1rbg h ASP 121 Ca -0.29 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 56.51 1rbg h ASP 121 Cb 1.13 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1rbg h ASP 121 CO 0.66 1.55 0.00 0.00 -2.88 0.00 0.00 179.24 178.57 1rbg n ALA 122 N -2.76 0.00 -2.45 -0.78 0.00 -0.96 -4.93 120.51 108.63 1rbg n ALA 122 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.96 1rbg n ALA 122 Cb 1.05 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.37 1rbg n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rbg s SER 123 N 0.00 2.82 0.00 0.00 0.01 -1.26 -0.17 113.70 115.10 1rbg s SER 123 Ca 0.00 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1rbg s SER 123 Cb 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1rbg s SER 123 CO 0.00 0.16 0.00 1.33 0.41 0.00 0.00 173.24 175.14