#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbd n SER 22 N 0.00 -1.25 0.00 6.43 7.64 -1.26 -4.98 113.62 120.20 1rbd n SER 22 Ca 0.00 -1.82 0.09 0.00 1.01 0.00 0.00 58.87 58.14 1rbd n SER 22 Cb 0.00 2.07 0.39 0.00 -1.01 0.00 0.00 64.21 65.66 1rbd n SER 22 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rbd n SER 23 N -1.23 0.01 -4.75 6.43 3.41 -1.26 -3.91 113.62 112.31 1rbd n SER 23 Ca -0.04 0.50 -0.31 0.00 -0.26 0.00 0.00 58.87 58.76 1rbd n SER 23 Cb 0.34 -0.50 0.10 0.00 -0.26 0.00 0.00 64.21 63.89 1rbd n SER 23 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rbd s ASN 24 N -3.01 4.27 0.22 4.04 2.20 -1.26 -4.79 114.94 116.61 1rbd s ASN 24 Ca 0.09 1.89 -0.08 0.00 -0.94 0.00 0.00 52.86 53.81 1rbd s ASN 24 Cb 0.12 -2.53 0.31 0.00 -2.00 0.00 0.00 41.25 37.15 1rbd s ASN 24 CO 0.33 -2.19 1.74 0.22 -2.94 0.00 0.00 177.10 174.27 1rbd h TYR 25 N -1.21 0.43 -0.19 1.54 3.20 -1.98 -1.49 116.97 117.28 1rbd h TYR 25 Ca -0.44 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.44 1rbd h TYR 25 Cb 1.24 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1rbd h TYR 25 CO 0.57 0.11 0.03 0.00 -1.64 0.00 0.00 178.16 177.22 1rbd h ASN 27 N 0.10 0.79 0.30 0.00 -0.26 -1.75 -0.10 115.58 114.65 1rbd h ASN 27 Ca 0.06 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1rbd h ASN 27 Cb 0.31 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1rbd h ASN 27 CO 0.00 0.56 -0.14 1.56 -1.06 0.00 0.00 177.43 178.35 1rbd h GLN 28 N 0.94 -0.38 -0.14 0.81 4.20 -1.00 -2.74 115.11 116.80 1rbd h GLN 28 Ca 0.29 0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.92 1rbd h GLN 28 Cb -0.03 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1rbd h GLN 28 CO -0.09 -0.09 -0.37 0.52 -0.67 0.00 0.00 178.83 178.13 1rbd h MET 29 N -0.67 0.29 -0.20 1.46 2.86 -0.56 -0.25 114.93 117.86 1rbd h MET 29 Ca -0.04 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 1rbd h MET 29 Cb 0.47 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1rbd h MET 29 CO 0.07 0.63 -0.24 0.52 1.06 0.00 0.00 176.91 178.94 1rbd h MET 30 N 0.25 0.36 0.21 1.72 2.86 -1.09 -0.03 114.93 119.22 1rbd h MET 30 Ca 0.03 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1rbd h MET 30 Cb 0.77 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1rbd h MET 30 CO 0.06 0.59 -0.10 -0.22 1.06 0.00 0.00 176.91 178.29 1rbd h LYS 31 N 0.32 -0.28 -0.88 1.72 1.63 -1.15 0.16 116.57 118.10 1rbd h LYS 31 Ca 0.05 0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.96 1rbd h LYS 31 Cb 0.61 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.24 1rbd h LYS 31 CO 0.04 0.06 0.57 0.66 -3.45 0.00 0.00 179.45 177.33 1rbd h SER 32 N -0.96 0.79 -0.20 4.20 4.64 -0.94 0.14 113.55 121.22 1rbd h SER 32 Ca -0.03 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1rbd h SER 32 Cb 0.46 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1rbd h SER 32 CO 0.05 0.47 0.00 0.54 -0.87 0.00 0.00 176.83 177.02 1rbd n ARG 33 N -4.52 1.78 -3.39 4.77 5.12 -0.04 -4.89 116.66 115.50 1rbd n ARG 33 Ca 0.15 -0.85 -0.19 0.00 -1.93 0.00 0.00 57.85 55.02 1rbd n ARG 33 Cb 0.30 -1.41 0.07 0.00 -1.16 0.00 0.00 32.46 30.26 1rbd n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1rbd n ASN 34 N 0.16 -5.32 -0.10 0.55 4.05 0.04 -4.92 115.26 109.72 1rbd n ASN 34 Ca 0.08 -0.45 -0.10 0.00 0.45 0.00 0.00 54.58 54.55 1rbd n ASN 34 Cb 0.33 -4.25 -0.15 0.00 1.23 0.00 0.00 39.78 36.94 1rbd n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1rbd n LEU 35 N -4.17 0.31 -0.39 1.20 4.32 0.48 -4.58 117.00 114.16 1rbd n LEU 35 Ca -0.01 -0.01 0.07 0.00 -0.02 0.00 0.00 56.01 56.04 1rbd n LEU 35 Cb 0.56 0.34 0.16 0.00 -1.62 0.00 0.00 43.42 42.86 1rbd n LEU 35 CO 0.53 0.53 0.44 0.35 -1.22 0.00 0.00 177.39 178.02 1rbd n THR 36 N -2.77 1.88 0.09 -5.08 -2.24 -0.82 -4.39 114.28 100.94 1rbd n THR 36 Ca -0.33 -2.57 -0.05 0.00 -2.27 0.00 0.00 64.05 58.82 1rbd n THR 36 Cb 1.12 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1rbd n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rbd h LYS 37 N 0.50 0.02 0.00 -0.78 1.57 -1.81 -3.36 116.57 112.71 1rbd h LYS 37 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1rbd h LYS 37 Cb 1.05 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1rbd h LYS 37 CO 0.00 0.87 -0.07 -0.40 -0.57 0.00 0.00 179.45 179.28 1rbd n ASP 38 N -3.53 1.53 -3.65 0.86 5.68 -1.26 -5.07 116.55 111.10 1rbd n ASP 38 Ca -0.01 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 1rbd n ASP 38 Cb 0.82 -0.18 -0.01 0.00 -1.14 0.00 0.00 41.12 40.62 1rbd n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rbd s ARG 39 N -1.34 0.57 -0.22 0.11 1.70 -1.26 -5.12 118.95 113.38 1rbd s ARG 39 Ca 0.11 -0.32 -0.05 0.00 -0.47 0.00 0.00 55.73 55.00 1rbd s ARG 39 Cb 0.10 0.19 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1rbd s ARG 39 CO 0.01 -0.26 0.01 0.00 -1.08 0.00 0.00 175.30 173.98 1rbd s LYS 41 N 1.39 4.41 0.19 0.00 2.20 -1.26 -5.00 119.74 121.67 1rbd s LYS 41 Ca 0.05 0.88 -0.12 0.00 -0.36 0.00 0.00 55.97 56.42 1rbd s LYS 41 Cb -0.15 -3.38 0.10 0.00 -1.51 0.00 0.00 37.83 32.89 1rbd s LYS 41 CO 0.01 0.24 1.79 -1.35 -0.36 0.00 0.00 175.35 175.68 1rbd h PRO 42 N 6.03 0.91 -3.44 4.03 0.11 -1.98 -3.43 132.00 134.23 1rbd h PRO 42 Ca -0.43 -0.12 -0.15 0.00 0.11 0.00 0.00 66.00 65.41 1rbd h PRO 42 Cb 1.20 -0.17 -0.22 0.00 0.11 0.00 0.00 31.00 31.92 1rbd h PRO 42 CO 0.72 0.70 -0.49 0.14 -0.21 0.00 0.00 178.00 178.87 1rbd s VAL 43 N -5.80 0.06 -0.15 3.15 -7.23 -1.26 -0.93 120.40 108.24 1rbd s VAL 43 Ca -0.13 -0.51 -0.22 0.00 -1.81 0.00 0.00 61.98 59.31 1rbd s VAL 43 Cb 0.14 -0.40 0.06 0.00 0.56 0.00 0.00 36.38 36.73 1rbd s VAL 43 CO 0.79 -0.28 0.57 0.21 -0.31 0.00 0.00 175.10 176.08 1rbd s ASN 44 N -1.01 -0.56 -0.09 4.85 2.47 -0.54 -5.01 114.94 115.04 1rbd s ASN 44 Ca -0.11 0.92 0.01 0.00 0.42 0.00 0.00 52.86 54.10 1rbd s ASN 44 Cb -0.06 0.92 -0.02 0.00 -1.45 0.00 0.00 41.25 40.64 1rbd s ASN 44 CO 0.01 -0.33 -0.10 -0.89 -3.72 0.00 0.00 177.10 172.07 1rbd s THR 45 N -0.26 3.39 -0.09 -5.21 2.01 -1.26 -1.34 115.64 112.88 1rbd s THR 45 Ca -0.04 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.39 1rbd s THR 45 Cb -0.03 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1rbd s THR 45 CO 0.03 0.56 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.07 1rbd s PHE 46 N -0.31 2.86 -0.17 4.92 0.08 -0.38 -4.99 117.98 120.00 1rbd s PHE 46 Ca 0.04 -0.21 -0.06 0.00 0.12 0.00 0.00 56.93 56.82 1rbd s PHE 46 Cb -0.13 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1rbd s PHE 46 CO 0.03 0.13 0.02 0.08 -0.10 0.00 0.00 175.22 175.37 1rbd s VAL 47 N -0.37 4.43 -0.95 -0.44 1.01 -1.26 -0.86 120.40 121.97 1rbd s VAL 47 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1rbd s VAL 47 Cb -0.12 -2.98 0.29 0.00 0.00 0.00 0.00 36.38 33.57 1rbd s VAL 47 CO 0.02 0.48 1.24 1.41 0.00 0.00 0.00 175.10 178.25 1rbd n HIS 48 N 3.51 2.77 -4.08 5.22 -0.00 0.54 -4.94 115.22 118.24 1rbd n HIS 48 Ca -0.17 -3.11 -0.10 0.00 -0.00 0.00 0.00 57.72 54.35 1rbd n HIS 48 Cb 0.52 -1.06 -0.09 0.00 -0.00 0.00 0.00 29.99 29.37 1rbd n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rbd s GLU 49 N -2.65 0.99 0.49 -0.41 0.41 -1.26 -4.49 118.70 111.78 1rbd s GLU 49 Ca 0.34 -1.34 -0.22 0.00 -0.41 0.00 0.00 54.97 53.34 1rbd s GLU 49 Cb 0.07 0.29 -0.06 0.00 -1.78 0.00 0.00 34.13 32.64 1rbd s GLU 49 CO 0.06 -0.31 1.21 -1.54 -0.49 0.00 0.00 175.26 174.19 1rbd s SER 50 N -3.01 5.88 0.27 -0.19 1.04 -1.26 -4.86 113.70 111.56 1rbd s SER 50 Ca 0.21 2.40 -0.01 0.00 0.48 0.00 0.00 55.95 59.03 1rbd s SER 50 Cb 0.06 -2.61 0.52 0.00 0.10 0.00 0.00 66.02 64.09 1rbd s SER 50 CO 0.01 -1.13 1.79 -0.07 0.98 0.00 0.00 173.24 174.82 1rbd h LEU 51 N 1.77 0.67 -0.89 2.42 3.38 -2.00 -2.08 115.31 118.59 1rbd h LEU 51 Ca -0.50 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 1rbd h LEU 51 Cb 1.26 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1rbd h LEU 51 CO 0.59 0.32 -0.55 0.00 0.09 0.00 0.00 178.44 178.90 1rbd h ALA 52 N 1.53 1.08 -0.13 1.53 0.00 -1.98 0.12 119.26 121.41 1rbd h ALA 52 Ca 0.46 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1rbd h ALA 52 Cb 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rbd h ALA 52 CO -0.31 0.68 -0.49 -0.44 0.00 0.00 0.00 179.25 178.69 1rbd h ASP 53 N 0.02 0.37 -0.36 0.00 3.32 -1.77 0.18 116.42 118.19 1rbd h ASP 53 Ca -0.00 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 1rbd h ASP 53 Cb 0.97 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1rbd h ASP 53 CO 0.07 0.80 -0.08 0.58 -1.72 0.00 0.00 179.24 178.89 1rbd h VAL 54 N 0.28 1.28 -0.06 -1.35 2.07 -0.88 -3.09 116.25 114.50 1rbd h VAL 54 Ca 0.01 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1rbd h VAL 54 Cb 0.96 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1rbd h VAL 54 CO 0.08 0.38 -0.11 1.56 0.02 0.00 0.00 177.57 179.50 1rbd h GLN 55 N 0.48 0.08 0.00 1.57 4.20 -0.66 -2.51 115.11 118.27 1rbd h GLN 55 Ca 0.09 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1rbd h GLN 55 Cb 0.59 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1rbd h GLN 55 CO 0.03 0.20 -0.01 0.00 -0.67 0.00 0.00 178.83 178.39 1rbd h ALA 56 N 1.81 1.06 0.00 3.87 0.00 -0.57 -2.73 119.26 122.69 1rbd h ALA 56 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1rbd h ALA 56 Cb 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1rbd h ALA 56 CO 0.02 0.01 -0.08 0.28 0.00 0.00 0.00 179.25 179.47 1rbd h VAL 57 N 0.00 0.53 0.00 0.00 2.07 -1.52 -2.50 116.25 114.83 1rbd h VAL 57 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1rbd h VAL 57 Cb 0.12 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1rbd h VAL 57 CO 0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1rbd n SER 59 N -1.40 3.01 0.00 0.00 3.41 -0.94 -5.00 113.62 112.69 1rbd n SER 59 Ca 0.04 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 1rbd n SER 59 Cb 0.13 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1rbd n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rbd n GLN 60 N -1.02 0.00 -2.89 4.33 6.02 -0.05 -4.97 117.38 118.80 1rbd n GLN 60 Ca 0.18 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.74 1rbd n GLN 60 Cb 0.74 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.96 1rbd n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rbd s LYS 61 N 3.18 3.59 0.13 -1.09 2.47 -0.91 -4.86 119.74 122.26 1rbd s LYS 61 Ca 0.00 0.18 -0.31 0.00 -1.56 0.00 0.00 55.97 54.28 1rbd s LYS 61 Cb 0.00 -3.89 -0.09 0.00 -1.46 0.00 0.00 37.83 32.40 1rbd s LYS 61 CO 0.00 -1.08 1.47 1.21 0.16 0.00 0.00 175.35 177.11 1rbd s ASN 62 N 2.09 6.72 0.12 1.43 2.47 -1.26 -0.21 114.94 126.29 1rbd s ASN 62 Ca 0.34 2.45 -0.02 0.00 0.42 0.00 0.00 52.86 56.05 1rbd s ASN 62 Cb -0.12 -2.59 -0.04 0.00 -1.45 0.00 0.00 41.25 37.06 1rbd s ASN 62 CO 0.22 -0.73 0.06 0.68 -3.72 0.00 0.00 177.10 173.61 1rbd s VAL 63 N 1.17 0.12 0.46 -5.21 -7.23 -0.15 -4.92 120.40 104.65 1rbd s VAL 63 Ca 0.67 -1.84 -0.21 0.00 -1.81 0.00 0.00 61.98 58.79 1rbd s VAL 63 Cb -0.40 -1.91 -0.10 0.00 0.56 0.00 0.00 36.38 34.54 1rbd s VAL 63 CO 0.31 -0.57 1.00 0.00 -0.31 0.00 0.00 175.10 175.53 1rbd s ALA 64 N -4.01 2.94 0.54 1.32 0.00 -1.26 -3.07 121.76 118.22 1rbd s ALA 64 Ca 0.20 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 1rbd s ALA 64 Cb 0.07 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1rbd s ALA 64 CO -0.01 -0.13 0.86 0.00 0.00 0.00 0.00 175.76 176.48 1rbd h LYS 66 N 0.00 0.03 -0.34 0.00 1.57 -1.91 0.51 116.57 116.43 1rbd h LYS 66 Ca -0.46 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1rbd h LYS 66 Cb 1.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1rbd h LYS 66 CO 0.61 0.02 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 1rbd n ASN 67 N -4.24 2.16 0.00 0.86 6.94 -1.26 -4.93 115.26 114.79 1rbd n ASN 67 Ca 0.38 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 1rbd n ASN 67 Cb 1.67 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 38.87 1rbd n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rbd n GLY 68 N 1.18 1.81 3.79 4.83 0.00 0.18 -5.02 105.19 111.96 1rbd n GLY 68 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1rbd n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rbd s GLN 69 N -0.00 2.74 -0.25 1.61 2.00 -1.26 -4.64 119.66 119.86 1rbd s GLN 69 Ca 0.00 1.14 0.11 0.00 -2.00 0.00 0.00 55.36 54.61 1rbd s GLN 69 Cb 0.00 -1.96 0.47 0.00 0.80 0.00 0.00 33.01 32.33 1rbd s GLN 69 CO 0.00 -1.27 1.38 0.25 -0.50 0.00 0.00 175.29 175.15 1rbd n THR 70 N -2.97 2.40 -1.41 -0.34 -2.24 -1.26 0.33 114.28 108.79 1rbd n THR 70 Ca 0.09 -2.78 -0.22 0.00 -2.27 0.00 0.00 64.05 58.87 1rbd n THR 70 Cb 0.53 -0.29 0.14 0.00 -2.10 0.00 0.00 70.33 68.61 1rbd n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rbd n ASN 71 N -1.09 4.66 -4.76 3.42 6.94 -1.26 -4.74 115.26 118.42 1rbd n ASN 71 Ca 0.28 -3.73 -0.28 0.00 -0.02 0.00 0.00 54.58 50.83 1rbd n ASN 71 Cb 0.91 -0.77 -0.06 0.00 -2.36 0.00 0.00 39.78 37.50 1rbd n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rbd s TYR 73 N -1.58 -0.05 -0.13 0.00 1.51 -0.07 -0.98 117.35 116.06 1rbd s TYR 73 Ca 0.29 0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 56.46 1rbd s TYR 73 Cb -0.11 0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.73 1rbd s TYR 73 CO 0.22 -0.04 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.42 1rbd s GLN 74 N -0.05 3.37 0.36 -0.62 0.74 0.71 -1.42 119.66 122.75 1rbd s GLN 74 Ca -0.01 -0.54 -0.28 0.00 0.05 0.00 0.00 55.36 54.59 1rbd s GLN 74 Cb -0.01 -2.80 -0.10 0.00 1.10 0.00 0.00 33.01 31.20 1rbd s GLN 74 CO 0.00 0.37 1.35 -1.54 -0.55 0.00 0.00 175.29 174.92 1rbd s SER 75 N -0.01 6.54 0.16 6.67 1.04 -0.44 -2.14 113.70 125.52 1rbd s SER 75 Ca 0.00 2.77 -0.13 0.00 0.48 0.00 0.00 55.95 59.07 1rbd s SER 75 Cb -0.13 -2.65 0.06 0.00 0.10 0.00 0.00 66.02 63.39 1rbd s SER 75 CO 0.03 -0.70 1.75 1.88 0.98 0.00 0.00 173.24 177.18 1rbd h TYR 76 N 3.09 0.77 -1.63 5.02 0.05 -1.96 -3.44 116.97 118.87 1rbd h TYR 76 Ca -0.50 -0.03 -0.51 0.00 0.05 0.00 0.00 58.73 57.74 1rbd h TYR 76 Cb 1.24 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 38.69 1rbd h TYR 76 CO 0.54 0.59 -0.43 0.45 -1.05 0.00 0.00 178.16 178.26 1rbd s SER 77 N -5.91 4.92 0.54 3.88 0.15 -1.26 -5.08 113.70 110.94 1rbd s SER 77 Ca -0.13 -0.77 -0.17 0.00 0.70 0.00 0.00 55.95 55.58 1rbd s SER 77 Cb 0.12 -0.64 -0.06 0.00 -1.71 0.00 0.00 66.02 63.73 1rbd s SER 77 CO 0.77 -0.54 1.02 0.42 1.20 0.00 0.00 173.24 176.11 1rbd s THR 78 N -2.46 4.12 0.10 6.45 -4.23 -1.26 -4.45 115.64 113.90 1rbd s THR 78 Ca 0.44 1.06 0.06 0.00 -1.18 0.00 0.00 61.69 62.07 1rbd s THR 78 Cb -0.02 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 1rbd s THR 78 CO 0.26 -0.54 -0.16 -0.04 -0.54 0.00 0.00 174.62 173.60 1rbd s MET 79 N -3.93 0.96 -0.07 3.99 -1.94 0.69 -4.81 119.30 114.19 1rbd s MET 79 Ca 0.62 -1.10 -0.30 0.00 -1.71 0.00 0.00 55.69 53.21 1rbd s MET 79 Cb -0.13 -1.01 -0.04 0.00 2.01 0.00 0.00 34.83 35.66 1rbd s MET 79 CO 0.32 0.22 1.44 0.45 -0.01 0.00 0.00 175.02 177.43 1rbd s SER 80 N -2.00 6.82 0.08 3.03 0.15 -1.26 -0.92 113.70 119.60 1rbd s SER 80 Ca 0.04 2.01 0.03 0.00 0.70 0.00 0.00 55.95 58.73 1rbd s SER 80 Cb -0.08 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1rbd s SER 80 CO 0.03 -0.80 -0.09 0.27 1.20 0.00 0.00 173.24 173.85 1rbd s ILE 81 N 3.31 0.80 -0.15 6.45 -5.25 0.64 -0.34 121.20 126.66 1rbd s ILE 81 Ca 0.64 -1.50 0.02 0.00 -0.99 0.00 0.00 60.65 58.82 1rbd s ILE 81 Cb -0.29 -1.17 0.01 0.00 2.95 0.00 0.00 42.46 43.96 1rbd s ILE 81 CO 0.24 -0.53 -0.20 -0.89 -1.79 0.00 0.00 174.94 171.77 1rbd s THR 82 N -2.23 2.22 -0.02 8.37 2.01 -0.03 -1.36 115.64 124.60 1rbd s THR 82 Ca 0.01 -0.92 -0.17 0.00 0.31 0.00 0.00 61.69 60.92 1rbd s THR 82 Cb -0.04 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1rbd s THR 82 CO -0.00 0.54 0.48 -1.81 -0.69 0.00 0.00 174.62 173.13 1rbd s ASP 83 N 0.95 6.85 -0.17 3.53 1.01 0.74 -1.24 116.67 128.33 1rbd s ASP 83 Ca -0.04 1.01 0.01 0.00 0.71 0.00 0.00 52.55 54.24 1rbd s ASP 83 Cb -0.15 -2.30 0.02 0.00 1.01 0.00 0.00 42.92 41.51 1rbd s ASP 83 CO -0.04 0.20 -0.18 0.00 0.21 0.00 0.00 175.17 175.36 1rbd s ARG 85 N 1.35 1.00 0.26 0.00 3.52 -0.47 -1.46 118.95 123.15 1rbd s ARG 85 Ca 0.05 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.09 1rbd s ARG 85 Cb -0.13 -0.93 -0.12 0.00 -1.56 0.00 0.00 34.95 32.21 1rbd s ARG 85 CO -0.12 0.03 1.58 0.39 -0.81 0.00 0.00 175.30 176.38 1rbd n GLU 86 N 3.62 2.54 -1.26 5.12 1.02 -0.11 -0.02 120.64 131.54 1rbd n GLU 86 Ca -0.21 0.91 -0.29 0.00 -0.02 0.00 0.00 57.16 57.55 1rbd n GLU 86 Cb 0.53 -2.68 0.16 0.00 -0.02 0.00 0.00 31.44 29.43 1rbd n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1rbd s THR 87 N 0.28 2.11 0.38 2.62 -4.23 -0.36 -4.81 115.64 111.63 1rbd s THR 87 Ca 0.68 0.04 0.33 0.00 -1.18 0.00 0.00 61.69 61.56 1rbd s THR 87 Cb -0.54 -2.59 0.36 0.00 1.34 0.00 0.00 72.50 71.06 1rbd s THR 87 CO 0.45 -0.05 2.11 1.23 -0.54 0.00 0.00 174.62 177.82 1rbd h GLY 88 N -1.77 0.00 -1.69 3.99 0.00 -1.94 -2.63 103.07 99.03 1rbd h GLY 88 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1rbd h GLY 88 CO 0.58 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.56 1rbd n SER 89 N -3.35 2.73 -4.73 0.19 7.64 -1.26 -4.94 113.62 109.90 1rbd n SER 89 Ca -0.01 -1.88 -0.41 0.00 1.01 0.00 0.00 58.87 57.57 1rbd n SER 89 Cb 0.22 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.23 1rbd n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1rbd s SER 90 N -1.63 7.43 -0.06 6.43 0.15 -0.99 -4.96 113.70 120.08 1rbd s SER 90 Ca 0.35 1.88 -0.02 0.00 0.70 0.00 0.00 55.95 58.86 1rbd s SER 90 Cb 0.21 -2.59 0.04 0.00 -1.71 0.00 0.00 66.02 61.96 1rbd s SER 90 CO 0.30 -0.11 0.12 -0.54 1.20 0.00 0.00 173.24 174.20 1rbd s LYS 91 N -0.08 0.05 0.25 5.44 3.01 -1.23 -4.93 119.74 122.25 1rbd s LYS 91 Ca 0.48 0.34 -0.31 0.00 -1.01 0.00 0.00 55.97 55.47 1rbd s LYS 91 Cb -0.25 -0.21 -0.14 0.00 -1.01 0.00 0.00 37.83 36.22 1rbd s LYS 91 CO 0.31 -0.18 1.30 0.98 0.51 0.00 0.00 175.35 178.27 1rbd n TYR 92 N 4.31 1.91 1.15 3.18 9.36 -1.26 -0.35 117.16 135.46 1rbd n TYR 92 Ca -0.25 0.53 0.14 0.00 3.32 0.00 0.00 57.90 61.64 1rbd n TYR 92 Cb 0.51 -2.39 0.66 0.00 -0.63 0.00 0.00 39.34 37.49 1rbd n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rbd n PRO 93 N 1.60 0.16 -3.20 2.98 -0.04 -1.26 -4.98 135.00 130.26 1rbd n PRO 93 Ca 0.11 0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.14 1rbd n PRO 93 Cb 0.31 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1rbd n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rbd n ASN 94 N -1.42 5.88 -4.76 3.54 4.13 0.53 -4.83 115.26 118.33 1rbd n ASN 94 Ca 0.10 -3.21 -0.39 0.00 1.68 0.00 0.00 54.58 52.76 1rbd n ASN 94 Cb 0.30 -1.32 0.03 0.00 -1.54 0.00 0.00 39.78 37.25 1rbd n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rbd s ALA 96 N -1.24 0.19 0.03 0.00 0.00 -1.26 0.23 121.76 119.71 1rbd s ALA 96 Ca 0.67 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.79 1rbd s ALA 96 Cb -0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1rbd s ALA 96 CO 0.53 -0.04 -0.16 0.71 0.00 0.00 0.00 175.76 176.80 1rbd s TYR 97 N 0.62 1.42 -0.12 0.00 2.02 -1.26 -1.22 117.35 118.81 1rbd s TYR 97 Ca -0.06 -0.33 -0.13 0.00 -0.37 0.00 0.00 57.07 56.18 1rbd s TYR 97 Cb -0.09 -0.86 -0.05 0.00 -0.40 0.00 0.00 41.96 40.57 1rbd s TYR 97 CO -0.01 0.04 0.30 0.21 -1.57 0.00 0.00 175.55 174.51 1rbd s LYS 98 N -0.96 4.06 -0.24 -0.62 2.47 0.96 -4.84 119.74 120.58 1rbd s LYS 98 Ca 0.04 0.14 -0.09 0.00 -1.56 0.00 0.00 55.97 54.50 1rbd s LYS 98 Cb -0.08 -3.34 -0.04 0.00 -1.46 0.00 0.00 37.83 32.91 1rbd s LYS 98 CO 0.01 0.42 0.12 0.99 0.16 0.00 0.00 175.35 177.05 1rbd s THR 99 N -0.10 4.96 -0.12 3.43 2.01 -1.26 -1.36 115.64 123.19 1rbd s THR 99 Ca 0.18 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1rbd s THR 99 Cb -0.14 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.09 1rbd s THR 99 CO 0.06 0.35 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.34 1rbd s THR 100 N 1.22 1.26 -0.06 -0.82 2.01 -0.07 -4.98 115.64 114.21 1rbd s THR 100 Ca 0.06 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 1rbd s THR 100 Cb -0.14 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 1rbd s THR 100 CO 0.05 0.41 0.26 -1.58 -0.69 0.00 0.00 174.62 173.07 1rbd s GLN 101 N 1.55 3.65 0.23 4.92 2.00 -1.26 -0.18 119.66 130.57 1rbd s GLN 101 Ca 0.04 0.11 -0.21 0.00 -2.00 0.00 0.00 55.36 53.30 1rbd s GLN 101 Cb -0.13 -3.20 0.04 0.00 0.80 0.00 0.00 33.01 30.52 1rbd s GLN 101 CO -0.08 0.74 0.65 0.00 -0.50 0.00 0.00 175.29 176.09 1rbd s ALA 102 N -1.07 -1.29 -0.21 1.58 0.00 -0.46 -4.99 121.76 115.32 1rbd s ALA 102 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1rbd s ALA 102 Cb -0.14 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.87 1rbd s ALA 102 CO 0.09 -0.92 -0.14 -0.80 0.00 0.00 0.00 175.76 173.99 1rbd s ASN 103 N -2.86 3.72 0.08 0.00 -0.87 -1.26 -0.26 114.94 113.49 1rbd s ASN 103 Ca 0.08 -0.78 -0.04 0.00 -1.57 0.00 0.00 52.86 50.55 1rbd s ASN 103 Cb -0.04 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.25 39.61 1rbd s ASN 103 CO -0.01 -0.06 0.07 -0.54 -2.57 0.00 0.00 177.10 173.99 1rbd s LYS 104 N 1.29 0.76 0.16 -0.60 1.02 -0.10 -4.77 119.74 117.51 1rbd s LYS 104 Ca 0.02 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 1rbd s LYS 104 Cb -0.15 0.27 -0.07 0.00 -0.52 0.00 0.00 37.83 37.35 1rbd s LYS 104 CO -0.09 -0.20 0.96 -1.01 -0.92 0.00 0.00 175.35 174.09 1rbd s HIS 105 N -3.92 3.87 0.08 3.18 3.76 -1.26 -0.22 115.29 120.77 1rbd s HIS 105 Ca 0.10 1.84 0.03 0.00 -0.15 0.00 0.00 55.06 56.87 1rbd s HIS 105 Cb 0.07 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.68 1rbd s HIS 105 CO -0.08 0.27 0.10 0.96 -0.85 0.00 0.00 174.74 175.15 1rbd s ILE 106 N -0.45 4.68 -0.14 0.60 -4.36 -1.26 -0.53 121.20 119.73 1rbd s ILE 106 Ca 0.45 -0.72 0.02 0.00 -0.26 0.00 0.00 60.65 60.14 1rbd s ILE 106 Cb -0.25 -3.27 0.01 0.00 1.25 0.00 0.00 42.46 40.21 1rbd s ILE 106 CO 0.31 0.11 -0.20 -0.63 0.24 0.00 0.00 174.94 174.78 1rbd s ILE 107 N -1.43 1.91 0.07 8.37 1.09 -0.09 -1.33 121.20 129.79 1rbd s ILE 107 Ca 0.30 -0.88 0.07 0.00 -1.10 0.00 0.00 60.65 59.04 1rbd s ILE 107 Cb -0.12 -1.71 -0.03 0.00 -1.06 0.00 0.00 42.46 39.54 1rbd s ILE 107 CO 0.23 0.52 -0.18 0.68 -0.10 0.00 0.00 174.94 176.09 1rbd s VAL 108 N 0.99 1.48 -0.07 2.92 -7.23 -0.51 -0.11 120.40 117.87 1rbd s VAL 108 Ca -0.04 -1.32 -0.14 0.00 -1.81 0.00 0.00 61.98 58.68 1rbd s VAL 108 Cb -0.15 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 1rbd s VAL 108 CO -0.05 -0.02 0.34 0.00 -0.31 0.00 0.00 175.10 175.07 1rbd s ALA 109 N -1.04 3.67 0.04 1.32 0.00 -0.49 -0.89 121.76 124.37 1rbd s ALA 109 Ca 0.04 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 51.74 1rbd s ALA 109 Cb -0.09 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 1rbd s ALA 109 CO 0.03 0.35 -0.23 0.00 0.00 0.00 0.00 175.76 175.90 1rbd s GLU 111 N -1.32 1.24 0.08 0.00 2.02 -0.66 -4.90 118.70 115.16 1rbd s GLU 111 Ca 0.13 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1rbd s GLU 111 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.64 1rbd s GLU 111 CO 0.03 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.21 1rbd n GLY 112 N -0.30 -3.02 2.68 -1.39 0.00 -1.26 -1.50 105.19 100.40 1rbd n GLY 112 Ca -0.14 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 1rbd n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbd s ASN 113 N -1.98 1.83 0.59 1.61 3.84 -1.26 -2.81 114.94 116.77 1rbd s ASN 113 Ca 0.00 -0.38 -0.19 0.00 0.21 0.00 0.00 52.86 52.50 1rbd s ASN 113 Cb 0.00 0.03 -0.04 0.00 -0.55 0.00 0.00 41.25 40.70 1rbd s ASN 113 CO 0.00 -0.33 1.23 -2.16 -2.79 0.00 0.00 177.10 173.05 1rbd s PRO 114 N 2.22 2.99 -0.59 0.43 0.04 -1.26 -5.05 135.00 133.78 1rbd s PRO 114 Ca 0.04 1.88 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 1rbd s PRO 114 Cb -0.16 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1rbd s PRO 114 CO -0.10 -1.21 1.59 -0.47 0.04 0.00 0.00 177.00 176.86 1rbd s TYR 115 N -1.54 2.01 0.23 0.56 5.04 -1.12 -4.88 117.35 117.65 1rbd s TYR 115 Ca 0.77 0.52 0.07 0.00 -2.44 0.00 0.00 57.07 55.98 1rbd s TYR 115 Cb -0.32 -4.29 -0.05 0.00 0.35 0.00 0.00 41.96 37.65 1rbd s TYR 115 CO 0.35 -2.20 -0.10 0.14 -1.34 0.00 0.00 175.55 172.40 1rbd s VAL 116 N 7.21 1.62 0.21 3.14 -7.23 -0.56 -4.82 120.40 119.96 1rbd s VAL 116 Ca 0.57 -2.16 -0.31 0.00 -1.81 0.00 0.00 61.98 58.28 1rbd s VAL 116 Cb -0.12 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.50 1rbd s VAL 116 CO 0.22 -0.47 1.55 -2.84 -0.31 0.00 0.00 175.10 173.26 1rbd s PRO 117 N -3.70 4.21 0.00 4.82 0.02 -1.26 -1.65 135.00 137.43 1rbd s PRO 117 Ca 0.25 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1rbd s PRO 117 Cb 0.02 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1rbd s PRO 117 CO 0.09 -0.57 0.00 1.33 -0.33 0.00 0.00 177.00 177.51 1rbd n VAL 118 N 3.28 0.00 -3.85 3.83 0.24 -0.17 -4.91 118.33 116.74 1rbd n VAL 118 Ca 0.11 -0.14 -0.11 0.00 -2.04 0.00 0.00 64.34 62.16 1rbd n VAL 118 Cb 0.38 0.64 -0.09 0.00 -1.47 0.00 0.00 33.84 33.30 1rbd n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1rbd s HIS 119 N -1.65 0.03 -0.29 6.34 3.76 -1.17 -5.00 115.29 117.32 1rbd s HIS 119 Ca 0.00 -0.17 -0.14 0.00 -0.15 0.00 0.00 55.06 54.61 1rbd s HIS 119 Cb 0.00 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.62 1rbd s HIS 119 CO 0.00 -0.35 0.32 0.12 -0.85 0.00 0.00 174.74 173.98 1rbd s PHE 120 N -1.88 3.23 -0.06 1.40 5.36 -1.26 -1.40 117.98 123.38 1rbd s PHE 120 Ca -0.11 0.23 0.09 0.00 -0.96 0.00 0.00 56.93 56.18 1rbd s PHE 120 Cb -0.05 -2.54 -0.24 0.00 -0.34 0.00 0.00 43.02 39.86 1rbd s PHE 120 CO -0.00 -0.26 0.60 -3.47 -1.46 0.00 0.00 175.22 170.63 1rbd n ASP 121 N 5.27 1.13 0.00 6.13 2.03 0.84 -4.93 116.55 127.01 1rbd n ASP 121 Ca -0.10 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1rbd n ASP 121 Cb 0.51 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 1rbd n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rbd n ALA 122 N -2.64 0.00 -2.68 -1.67 0.00 -1.12 -4.92 120.51 107.47 1rbd n ALA 122 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 1rbd n ALA 122 Cb 1.05 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.35 1rbd n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rbd s SER 123 N 0.00 1.60 0.00 0.00 0.01 -1.26 -0.92 113.70 113.14 1rbd s SER 123 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1rbd s SER 123 Cb 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1rbd s SER 123 CO 0.00 0.15 0.02 1.33 0.41 0.00 0.00 173.24 175.15