#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnd n GLU 2 N 0.00 2.18 -1.78 1.64 2.13 -1.26 -4.98 120.64 118.57 1rnd n GLU 2 Ca 0.00 0.77 -0.36 0.00 0.66 0.00 0.00 57.16 58.23 1rnd n GLU 2 Cb 0.00 -2.45 0.06 0.00 0.27 0.00 0.00 31.44 29.33 1rnd n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1rnd s THR 3 N -0.18 2.23 0.27 6.31 -4.23 -1.26 -4.83 115.64 113.95 1rnd s THR 3 Ca 0.66 0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 61.30 1rnd s THR 3 Cb -0.61 -3.01 0.26 0.00 1.34 0.00 0.00 72.50 70.48 1rnd s THR 3 CO 0.51 -0.03 1.82 0.00 -0.54 0.00 0.00 174.62 176.38 1rnd h ALA 4 N 0.53 1.40 -0.17 3.99 0.00 -1.95 0.12 119.26 123.19 1rnd h ALA 4 Ca -0.50 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 1rnd h ALA 4 Cb 1.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rnd h ALA 4 CO 0.53 0.18 -0.72 0.00 0.00 0.00 0.00 179.25 179.24 1rnd h ALA 5 N 1.51 0.41 -0.14 0.00 0.00 -1.91 -0.99 119.26 118.15 1rnd h ALA 5 Ca 0.47 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1rnd h ALA 5 Cb 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rnd h ALA 5 CO -0.26 0.70 -0.60 0.00 0.00 0.00 0.00 179.25 179.08 1rnd h ALA 6 N 0.67 0.69 -0.32 0.00 0.00 -1.84 -2.70 119.26 115.77 1rnd h ALA 6 Ca -0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1rnd h ALA 6 Cb 1.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1rnd h ALA 6 CO 0.14 0.71 0.17 -0.22 0.00 0.00 0.00 179.25 180.06 1rnd h LYS 7 N 0.36 0.44 -0.40 0.00 3.64 -0.51 -0.87 116.57 119.23 1rnd h LYS 7 Ca -0.01 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1rnd h LYS 7 Cb 1.15 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1rnd h LYS 7 CO 0.11 0.38 0.14 0.35 -2.27 0.00 0.00 179.45 178.15 1rnd h PHE 8 N 0.39 0.24 -0.47 1.91 3.57 -1.12 -0.41 116.94 121.05 1rnd h PHE 8 Ca 0.11 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1rnd h PHE 8 Cb 0.06 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1rnd h PHE 8 CO -0.03 0.09 0.29 0.93 -2.23 0.00 0.00 178.31 177.36 1rnd h GLU 9 N 0.29 0.56 -0.59 1.11 5.08 -1.14 -1.37 114.58 118.52 1rnd h GLU 9 Ca 0.18 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1rnd h GLU 9 Cb 0.17 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1rnd h GLU 9 CO -0.19 0.37 0.20 -0.09 -1.00 0.00 0.00 179.01 178.30 1rnd h ARG 10 N 0.58 0.91 0.01 2.33 2.43 -0.80 -2.38 114.38 117.46 1rnd h ARG 10 Ca 0.18 -0.19 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 1rnd h ARG 10 Cb -0.01 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1rnd h ARG 10 CO -0.07 0.80 -0.94 1.96 -1.51 0.00 0.00 179.97 180.21 1rnd h GLN 11 N 0.83 0.35 0.00 0.20 4.20 -1.02 -3.42 115.11 116.25 1rnd h GLN 11 Ca 0.19 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1rnd h GLN 11 Cb 0.26 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1rnd h GLN 11 CO -0.01 1.08 -0.91 0.72 -0.67 0.00 0.00 178.83 179.04 1rnd n HIS 12 N -3.72 0.00 -3.79 2.96 8.25 -0.52 -4.70 115.22 113.70 1rnd n HIS 12 Ca -0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.05 1rnd n HIS 12 Cb 0.84 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.86 1rnd n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rnd s MET 13 N -1.82 4.13 -0.48 -0.41 -1.94 -0.90 0.45 119.30 118.33 1rnd s MET 13 Ca 0.00 -0.25 0.05 0.00 -1.71 0.00 0.00 55.69 53.78 1rnd s MET 13 Cb 0.00 -3.38 0.18 0.00 2.01 0.00 0.00 34.83 33.65 1rnd s MET 13 CO 0.00 0.28 0.42 -3.47 -0.01 0.00 0.00 175.02 172.24 1rnd n ASP 14 N 3.57 0.57 0.00 3.03 2.03 0.17 -4.85 116.55 121.06 1rnd n ASP 14 Ca -0.16 -2.65 0.14 0.00 0.52 0.00 0.00 54.79 52.64 1rnd n ASP 14 Cb 0.52 -0.61 0.70 0.00 -0.72 0.00 0.00 41.12 41.00 1rnd n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rnd n SER 15 N 2.36 0.00 0.04 1.67 7.64 -1.26 -3.73 113.62 120.34 1rnd n SER 15 Ca 0.27 0.12 0.12 0.00 1.01 0.00 0.00 58.87 60.39 1rnd n SER 15 Cb 0.45 -0.37 0.27 0.00 -1.01 0.00 0.00 64.21 63.55 1rnd n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rnd n SER 16 N -1.37 0.57 -4.18 6.43 3.41 -1.26 -4.82 113.62 112.39 1rnd n SER 16 Ca 0.11 0.11 -0.23 0.00 -0.26 0.00 0.00 58.87 58.61 1rnd n SER 16 Cb 0.28 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1rnd n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rnd s THR 17 N -3.09 1.33 -0.36 6.66 -4.23 -1.24 -5.07 115.64 109.63 1rnd s THR 17 Ca 0.09 -0.99 0.21 0.00 -1.18 0.00 0.00 61.69 59.82 1rnd s THR 17 Cb 0.15 -1.16 0.25 0.00 1.34 0.00 0.00 72.50 73.08 1rnd s THR 17 CO 0.68 0.16 1.53 -1.28 -0.54 0.00 0.00 174.62 175.16 1rnd h SER 18 N 5.11 0.00 -4.22 3.99 0.87 -1.87 -3.44 113.55 113.99 1rnd h SER 18 Ca -0.39 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.32 1rnd h SER 18 Cb 1.17 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.93 1rnd h SER 18 CO 0.45 0.12 0.64 0.00 -0.53 0.00 0.00 176.83 177.51 1rnd s ALA 19 N -3.16 -1.95 0.25 6.23 0.00 -1.26 -4.84 121.76 117.03 1rnd s ALA 19 Ca 0.06 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.16 1rnd s ALA 19 Cb 0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 23.12 22.81 1rnd s ALA 19 CO 0.70 -0.50 1.35 0.00 0.00 0.00 0.00 175.76 177.31 1rnd s ALA 20 N -2.08 3.55 -0.14 0.00 0.00 -1.26 -4.94 121.76 116.90 1rnd s ALA 20 Ca 0.04 1.23 0.22 0.00 0.00 0.00 0.00 51.96 53.45 1rnd s ALA 20 Cb -0.01 -3.51 -0.27 0.00 0.00 0.00 0.00 23.12 19.34 1rnd s ALA 20 CO -0.04 -0.63 0.61 -1.13 0.00 0.00 0.00 175.76 174.56 1rnd n SER 21 N 2.01 0.21 -3.58 0.00 3.41 -1.26 -4.99 113.62 109.41 1rnd n SER 21 Ca 0.05 -0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.54 1rnd n SER 21 Cb 0.42 1.66 -0.03 0.00 -0.26 0.00 0.00 64.21 66.00 1rnd n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rnd s SER 22 N -4.54 -0.37 0.61 4.04 1.04 -1.26 -5.04 113.70 108.18 1rnd s SER 22 Ca -0.06 -0.24 0.37 0.00 0.48 0.00 0.00 55.95 56.50 1rnd s SER 22 Cb 0.13 0.55 2.02 0.00 0.10 0.00 0.00 66.02 68.83 1rnd s SER 22 CO 0.89 -0.96 2.26 0.77 0.98 0.00 0.00 173.24 177.18 1rnd h SER 23 N 2.17 0.00 0.50 7.02 4.64 -1.94 -2.78 113.55 123.16 1rnd h SER 23 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1rnd h SER 23 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1rnd h SER 23 CO 0.41 0.02 0.00 0.78 -0.87 0.00 0.00 176.83 177.16 1rnd h ASN 24 N 0.00 0.00 -0.44 4.97 2.35 -1.96 -3.40 115.58 117.10 1rnd h ASN 24 Ca -0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1rnd h ASN 24 Cb 0.09 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.37 1rnd h ASN 24 CO 0.00 0.00 -0.45 0.22 -1.65 0.00 0.00 177.43 175.55 1rnd h TYR 25 N 0.00 -1.33 -0.30 1.19 3.20 -1.89 -1.66 116.97 116.18 1rnd h TYR 25 Ca 0.00 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1rnd h TYR 25 Cb 0.25 0.64 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1rnd h TYR 25 CO 0.00 -0.45 0.07 0.00 -1.64 0.00 0.00 178.16 176.15 1rnd h ASN 27 N 0.31 0.69 -0.03 0.00 2.35 -1.70 0.16 115.58 117.36 1rnd h ASN 27 Ca 0.09 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 1rnd h ASN 27 Cb 0.29 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.57 1rnd h ASN 27 CO 0.00 0.41 -0.40 1.56 -1.65 0.00 0.00 177.43 177.35 1rnd h GLN 28 N 0.81 0.32 -0.11 0.81 4.20 -0.96 -3.00 115.11 117.18 1rnd h GLN 28 Ca 0.38 -0.31 -0.23 0.00 0.06 0.00 0.00 58.65 58.55 1rnd h GLN 28 Cb 0.31 0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.17 1rnd h GLN 28 CO -0.23 0.98 -0.84 0.52 -0.67 0.00 0.00 178.83 178.60 1rnd h MET 29 N -0.22 0.73 -0.73 1.46 2.86 -0.67 -1.52 114.93 116.83 1rnd h MET 29 Ca -0.04 -0.64 -0.01 0.00 -2.06 0.00 0.00 59.70 56.95 1rnd h MET 29 Cb 1.10 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 1rnd h MET 29 CO 0.08 1.24 0.42 0.52 1.06 0.00 0.00 176.91 180.23 1rnd h MET 30 N 0.48 1.00 -0.03 1.72 2.86 -0.80 -2.39 114.93 117.77 1rnd h MET 30 Ca -0.07 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1rnd h MET 30 Cb 1.47 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 1rnd h MET 30 CO 0.17 0.73 -0.03 0.87 1.06 0.00 0.00 176.91 179.70 1rnd h LYS 31 N 1.00 0.07 0.00 1.72 1.57 -1.37 -1.83 116.57 117.74 1rnd h LYS 31 Ca 0.26 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1rnd h LYS 31 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1rnd h LYS 31 CO -0.05 0.56 -0.32 0.66 -0.57 0.00 0.00 179.45 179.73 1rnd h SER 32 N -0.41 0.00 -0.01 0.86 4.64 -1.23 -1.45 113.55 115.95 1rnd h SER 32 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rnd h SER 32 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1rnd h SER 32 CO 0.01 0.32 0.00 0.54 -0.87 0.00 0.00 176.83 176.83 1rnd n ARG 33 N -3.60 1.37 -1.45 4.77 5.12 -0.90 -4.95 116.66 117.00 1rnd n ARG 33 Ca -0.01 -0.54 -0.09 0.00 -1.93 0.00 0.00 57.85 55.29 1rnd n ARG 33 Cb 0.45 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 1rnd n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rnd n ASN 34 N -0.34 -3.92 0.00 0.55 3.02 -0.54 -4.85 115.26 109.17 1rnd n ASN 34 Ca 0.21 0.18 0.13 0.00 -0.03 0.00 0.00 54.58 55.07 1rnd n ASN 34 Cb 0.24 -2.43 0.62 0.00 -0.61 0.00 0.00 39.78 37.60 1rnd n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rnd n LEU 35 N -1.11 0.00 -0.09 3.41 4.77 -0.69 -3.72 117.00 119.57 1rnd n LEU 35 Ca -0.10 0.43 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 1rnd n LEU 35 Cb 0.36 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1rnd n LEU 35 CO 0.14 -0.03 0.54 0.35 -1.33 0.00 0.00 177.39 177.05 1rnd n THR 36 N -1.43 1.30 0.11 -5.08 -2.24 -1.24 -3.34 114.28 102.37 1rnd n THR 36 Ca 0.09 -1.40 -0.19 0.00 -2.27 0.00 0.00 64.05 60.28 1rnd n THR 36 Cb 0.29 0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.63 1rnd n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rnd h LYS 37 N 0.18 0.35 0.00 -0.78 6.56 -1.91 -3.35 116.57 117.62 1rnd h LYS 37 Ca 0.00 -0.60 -0.15 0.00 -1.06 0.00 0.00 60.65 58.84 1rnd h LYS 37 Cb 0.69 0.22 -0.03 0.00 -0.57 0.00 0.00 32.23 32.55 1rnd h LYS 37 CO 0.01 1.28 -1.88 -0.25 -2.06 0.00 0.00 179.45 176.54 1rnd n ASP 38 N -3.58 1.39 -3.62 0.86 8.00 -1.26 -5.05 116.55 113.29 1rnd n ASP 38 Ca -0.12 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.30 1rnd n ASP 38 Cb 1.05 1.24 -0.02 0.00 -0.02 0.00 0.00 41.12 43.37 1rnd n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rnd s ARG 39 N -2.68 1.19 -0.41 -1.24 1.70 -1.26 -5.10 118.95 111.15 1rnd s ARG 39 Ca -0.07 -0.56 -0.29 0.00 -0.47 0.00 0.00 55.73 54.35 1rnd s ARG 39 Cb 0.07 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 1rnd s ARG 39 CO 0.62 -0.53 1.26 0.00 -1.08 0.00 0.00 175.30 175.57 1rnd s LYS 41 N 4.52 4.21 0.08 0.00 2.20 -1.21 -4.92 119.74 124.62 1rnd s LYS 41 Ca 0.54 2.35 0.09 0.00 -0.36 0.00 0.00 55.97 58.59 1rnd s LYS 41 Cb -0.11 -3.25 -0.21 0.00 -1.51 0.00 0.00 37.83 32.75 1rnd s LYS 41 CO 0.29 -0.63 1.12 -1.00 -0.36 0.00 0.00 175.35 174.77 1rnd h PRO 42 N 7.12 0.00 -4.20 4.03 0.13 -1.93 -3.44 132.00 133.70 1rnd h PRO 42 Ca -0.43 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.35 1rnd h PRO 42 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1rnd h PRO 42 CO 0.92 0.85 -0.76 0.08 -0.23 0.00 0.00 178.00 178.86 1rnd s VAL 43 N -2.69 0.43 -0.25 1.56 1.01 -1.26 -0.75 120.40 118.46 1rnd s VAL 43 Ca -0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 1rnd s VAL 43 Cb 0.09 -0.41 0.07 0.00 0.00 0.00 0.00 36.38 36.14 1rnd s VAL 43 CO 0.82 0.15 0.62 0.21 0.00 0.00 0.00 175.10 176.91 1rnd s ASN 44 N 0.24 -0.76 -0.14 3.32 3.84 -0.39 -5.01 114.94 116.04 1rnd s ASN 44 Ca -0.03 1.32 -0.04 0.00 0.21 0.00 0.00 52.86 54.32 1rnd s ASN 44 Cb -0.06 1.26 -0.03 0.00 -0.55 0.00 0.00 41.25 41.86 1rnd s ASN 44 CO -0.00 -0.22 0.01 -0.89 -2.79 0.00 0.00 177.10 173.20 1rnd s THR 45 N 1.02 4.34 -0.12 -5.21 2.01 -1.26 -1.08 115.64 115.34 1rnd s THR 45 Ca -0.05 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 1rnd s THR 45 Cb -0.05 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1rnd s THR 45 CO -0.09 0.53 0.23 -0.36 -0.69 0.00 0.00 174.62 174.23 1rnd s PHE 46 N -0.11 3.56 -0.17 4.92 0.08 -0.46 -4.47 117.98 121.32 1rnd s PHE 46 Ca 0.05 0.60 -0.01 0.00 0.12 0.00 0.00 56.93 57.68 1rnd s PHE 46 Cb -0.13 -2.15 -0.00 0.00 -0.57 0.00 0.00 43.02 40.17 1rnd s PHE 46 CO 0.02 0.52 -0.11 0.08 -0.10 0.00 0.00 175.22 175.62 1rnd s VAL 47 N -0.42 2.94 -0.97 -0.44 1.01 0.17 -1.12 120.40 121.57 1rnd s VAL 47 Ca 0.16 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1rnd s VAL 47 Cb -0.13 -2.28 0.32 0.00 0.00 0.00 0.00 36.38 34.29 1rnd s VAL 47 CO 0.05 0.49 1.70 1.41 0.00 0.00 0.00 175.10 178.75 1rnd n HIS 48 N 4.25 2.94 -4.17 5.22 8.25 0.09 -0.66 115.22 131.15 1rnd n HIS 48 Ca -0.19 -2.76 -0.11 0.00 -0.26 0.00 0.00 57.72 54.41 1rnd n HIS 48 Cb 0.51 -1.10 -0.10 0.00 1.12 0.00 0.00 29.99 30.42 1rnd n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1rnd s GLU 49 N -4.20 0.83 0.60 -0.41 0.41 -1.26 -4.58 118.70 110.09 1rnd s GLU 49 Ca 0.40 -1.32 -0.18 0.00 -0.41 0.00 0.00 54.97 53.46 1rnd s GLU 49 Cb 0.20 -0.21 -0.03 0.00 -1.78 0.00 0.00 34.13 32.30 1rnd s GLU 49 CO -0.13 -0.01 1.19 -1.54 -0.49 0.00 0.00 175.26 174.27 1rnd s SER 50 N -2.99 5.21 0.15 -0.19 1.04 -1.26 -4.19 113.70 111.47 1rnd s SER 50 Ca 0.11 2.32 -0.17 0.00 0.48 0.00 0.00 55.95 58.70 1rnd s SER 50 Cb 0.05 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.61 1rnd s SER 50 CO -0.05 -1.57 1.77 0.25 0.98 0.00 0.00 173.24 174.63 1rnd h LEU 51 N 0.81 0.25 -0.96 2.42 5.85 -1.98 -2.54 115.31 119.16 1rnd h LEU 51 Ca -0.50 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.41 1rnd h LEU 51 Cb 1.29 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.19 1rnd h LEU 51 CO 0.55 0.19 0.56 0.00 -0.34 0.00 0.00 178.44 179.40 1rnd h ALA 52 N 1.18 1.54 -0.23 1.25 0.00 -1.99 0.59 119.26 121.60 1rnd h ALA 52 Ca 0.15 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1rnd h ALA 52 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1rnd h ALA 52 CO -0.10 -0.04 -0.25 -0.44 0.00 0.00 0.00 179.25 178.42 1rnd h ASP 53 N 0.74 0.44 0.16 0.00 3.32 -1.84 -1.93 116.42 117.32 1rnd h ASP 53 Ca 0.54 -0.14 -0.31 0.00 0.02 0.00 0.00 57.03 57.14 1rnd h ASP 53 Cb 0.79 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.23 1rnd h ASP 53 CO -0.37 0.69 -1.52 0.58 -1.72 0.00 0.00 179.24 176.90 1rnd h VAL 54 N 0.39 1.04 -0.65 -1.35 2.07 -1.20 -3.31 116.25 113.23 1rnd h VAL 54 Ca 0.06 -2.47 0.12 0.00 0.82 0.00 0.00 66.70 65.23 1rnd h VAL 54 Cb 0.65 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 1rnd h VAL 54 CO 0.05 0.78 0.44 1.56 0.02 0.00 0.00 177.57 180.41 1rnd h GLN 55 N -0.11 0.37 -0.52 1.57 4.20 -0.88 -2.09 115.11 117.65 1rnd h GLN 55 Ca -0.31 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.51 1rnd h GLN 55 Cb 1.92 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.59 1rnd h GLN 55 CO 0.13 0.25 0.36 0.00 -0.67 0.00 0.00 178.83 178.90 1rnd h ALA 56 N 1.68 2.37 -0.12 3.87 0.00 -1.43 -2.62 119.26 123.00 1rnd h ALA 56 Ca 0.31 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1rnd h ALA 56 Cb 0.69 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1rnd h ALA 56 CO -0.09 -0.51 0.10 0.28 0.00 0.00 0.00 179.25 179.03 1rnd h VAL 57 N 0.09 0.77 0.00 0.00 2.07 -1.46 -2.36 116.25 115.35 1rnd h VAL 57 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1rnd h VAL 57 Cb 0.86 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1rnd h VAL 57 CO -0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.57 1rnd n SER 59 N -1.48 2.97 0.00 0.00 3.41 -0.89 -5.04 113.62 112.59 1rnd n SER 59 Ca 0.02 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1rnd n SER 59 Cb 0.07 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1rnd n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rnd n GLN 60 N -0.71 3.35 -1.93 4.33 6.02 -0.29 -5.01 117.38 123.14 1rnd n GLN 60 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 1rnd n GLN 60 Cb 0.66 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.89 1rnd n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rnd s LYS 61 N 4.32 3.15 -0.00 -1.09 2.20 -1.18 -4.88 119.74 122.26 1rnd s LYS 61 Ca 0.00 1.41 -0.30 0.00 -0.36 0.00 0.00 55.97 56.72 1rnd s LYS 61 Cb 0.00 -4.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.00 1rnd s LYS 61 CO 0.00 -2.07 1.37 1.21 -0.36 0.00 0.00 175.35 175.50 1rnd s ASN 62 N 6.96 6.88 0.06 1.43 3.04 -1.26 -0.39 114.94 131.66 1rnd s ASN 62 Ca 0.82 2.08 0.00 0.00 0.04 0.00 0.00 52.86 55.80 1rnd s ASN 62 Cb -0.22 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 36.89 1rnd s ASN 62 CO 0.32 -0.70 -0.04 0.68 -3.04 0.00 0.00 177.10 174.32 1rnd s VAL 63 N 2.33 0.39 0.24 -5.21 -7.23 0.07 -4.92 120.40 106.06 1rnd s VAL 63 Ca 0.63 -1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 58.77 1rnd s VAL 63 Cb -0.31 -1.42 -0.09 0.00 0.56 0.00 0.00 36.38 35.12 1rnd s VAL 63 CO 0.26 -0.88 1.34 0.00 -0.31 0.00 0.00 175.10 175.51 1rnd s ALA 64 N -3.47 3.55 0.88 1.32 0.00 -1.26 -3.04 121.76 119.74 1rnd s ALA 64 Ca 0.06 1.20 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 1rnd s ALA 64 Cb 0.05 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.71 1rnd s ALA 64 CO -0.07 -0.61 0.64 0.00 0.00 0.00 0.00 175.76 175.72 1rnd h LYS 66 N -1.25 1.30 0.00 0.00 6.56 -1.92 -0.99 116.57 120.28 1rnd h LYS 66 Ca -0.44 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 1rnd h LYS 66 Cb 1.30 -0.29 0.00 0.00 -0.57 0.00 0.00 32.23 32.66 1rnd h LYS 66 CO 0.38 0.86 0.00 0.27 -2.06 0.00 0.00 179.45 178.91 1rnd n ASN 67 N -4.38 0.00 0.00 0.86 6.94 -1.26 -4.93 115.26 112.48 1rnd n ASN 67 Ca 0.12 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.52 1rnd n ASN 67 Cb 0.01 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1rnd n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rnd n GLY 68 N 0.81 2.54 3.68 4.83 0.00 -0.37 -5.07 105.19 111.61 1rnd n GLY 68 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1rnd n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rnd n GLN 69 N -2.00 1.01 -0.35 1.61 6.02 -1.26 -4.68 117.38 117.73 1rnd n GLN 69 Ca 0.00 0.40 0.08 0.00 -0.01 0.00 0.00 57.00 57.47 1rnd n GLN 69 Cb 0.00 -2.37 0.22 0.00 1.02 0.00 0.00 30.24 29.11 1rnd n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rnd n THR 70 N -1.85 1.97 -0.42 5.09 -2.24 -1.26 -0.64 114.28 114.93 1rnd n THR 70 Ca 0.15 -1.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.07 1rnd n THR 70 Cb 0.48 -0.08 0.11 0.00 -2.10 0.00 0.00 70.33 68.74 1rnd n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rnd n ASN 71 N -0.36 3.64 -4.91 3.42 6.94 -1.26 -4.75 115.26 117.97 1rnd n ASN 71 Ca 0.18 -3.01 -0.26 0.00 -0.02 0.00 0.00 54.58 51.47 1rnd n ASN 71 Cb 0.76 -0.73 -0.04 0.00 -2.36 0.00 0.00 39.78 37.42 1rnd n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rnd s TYR 73 N -1.74 -0.18 -0.15 0.00 1.51 -0.03 -0.75 117.35 116.01 1rnd s TYR 73 Ca 0.34 0.48 -0.06 0.00 -1.01 0.00 0.00 57.07 56.82 1rnd s TYR 73 Cb -0.11 -0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 1rnd s TYR 73 CO 0.27 -0.14 0.03 -1.14 -1.11 0.00 0.00 175.55 173.47 1rnd s GLN 74 N 0.71 3.70 0.37 -0.62 0.74 0.48 -1.24 119.66 123.79 1rnd s GLN 74 Ca -0.05 -0.38 -0.27 0.00 0.05 0.00 0.00 55.36 54.70 1rnd s GLN 74 Cb -0.07 -3.07 -0.10 0.00 1.10 0.00 0.00 33.01 30.88 1rnd s GLN 74 CO -0.04 0.38 1.34 -1.54 -0.55 0.00 0.00 175.29 174.88 1rnd s SER 75 N 0.05 6.49 0.17 6.67 1.04 -0.39 -3.11 113.70 124.62 1rnd s SER 75 Ca 0.04 2.75 -0.10 0.00 0.48 0.00 0.00 55.95 59.12 1rnd s SER 75 Cb -0.13 -2.65 0.05 0.00 0.10 0.00 0.00 66.02 63.40 1rnd s SER 75 CO 0.01 -0.74 1.64 1.88 0.98 0.00 0.00 173.24 177.01 1rnd h TYR 76 N 3.01 1.10 -3.23 5.02 0.05 -1.95 -3.44 116.97 117.53 1rnd h TYR 76 Ca -0.50 -0.18 -0.55 0.00 0.05 0.00 0.00 58.73 57.55 1rnd h TYR 76 Cb 1.24 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.66 1rnd h TYR 76 CO 0.54 0.97 -0.21 -1.12 -1.05 0.00 0.00 178.16 177.29 1rnd s SER 77 N -6.48 6.51 0.64 3.88 0.01 -1.26 -5.06 113.70 111.93 1rnd s SER 77 Ca -0.12 0.70 -0.15 0.00 1.31 0.00 0.00 55.95 57.69 1rnd s SER 77 Cb 0.13 -2.14 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 1rnd s SER 77 CO 0.84 -0.05 1.09 0.42 0.41 0.00 0.00 173.24 175.95 1rnd s THR 78 N -1.83 3.47 0.14 1.44 -4.23 -1.26 -4.50 115.64 108.87 1rnd s THR 78 Ca 0.43 0.68 0.09 0.00 -1.18 0.00 0.00 61.69 61.71 1rnd s THR 78 Cb -0.11 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 1rnd s THR 78 CO 0.25 -0.43 -0.20 -0.04 -0.54 0.00 0.00 174.62 173.67 1rnd s MET 79 N -4.13 1.23 -0.24 3.99 -1.94 0.32 -4.87 119.30 113.66 1rnd s MET 79 Ca 0.65 -1.32 -0.29 0.00 -1.71 0.00 0.00 55.69 53.02 1rnd s MET 79 Cb -0.19 -1.38 -0.00 0.00 2.01 0.00 0.00 34.83 35.27 1rnd s MET 79 CO 0.40 0.30 1.21 0.45 -0.01 0.00 0.00 175.02 177.37 1rnd s SER 80 N -2.38 6.88 0.15 3.03 0.15 -1.26 -2.21 113.70 118.05 1rnd s SER 80 Ca 0.13 1.38 0.07 0.00 0.70 0.00 0.00 55.95 58.23 1rnd s SER 80 Cb -0.07 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1rnd s SER 80 CO 0.06 -0.87 -0.15 0.27 1.20 0.00 0.00 173.24 173.75 1rnd s ILE 81 N 3.75 1.55 -0.20 6.45 -4.36 -0.61 -0.73 121.20 127.05 1rnd s ILE 81 Ca 0.52 -1.87 0.02 0.00 -0.26 0.00 0.00 60.65 59.06 1rnd s ILE 81 Cb -0.17 -1.72 0.03 0.00 1.25 0.00 0.00 42.46 41.84 1rnd s ILE 81 CO 0.16 -0.41 -0.17 -0.89 0.24 0.00 0.00 174.94 173.86 1rnd s THR 82 N -2.26 2.10 -0.17 8.37 2.01 -0.28 -1.78 115.64 123.64 1rnd s THR 82 Ca 0.13 -1.15 -0.18 0.00 0.31 0.00 0.00 61.69 60.80 1rnd s THR 82 Cb -0.04 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1rnd s THR 82 CO 0.05 0.37 0.48 -0.62 -0.69 0.00 0.00 174.62 174.20 1rnd s ASP 83 N 1.23 6.58 -0.20 3.53 -1.08 0.38 -1.35 116.67 125.77 1rnd s ASP 83 Ca 0.01 0.70 -0.01 0.00 -0.52 0.00 0.00 52.55 52.72 1rnd s ASP 83 Cb -0.15 -2.28 0.01 0.00 -1.46 0.00 0.00 42.92 39.04 1rnd s ASP 83 CO -0.11 -0.10 -0.13 0.00 0.52 0.00 0.00 175.17 175.36 1rnd s ARG 85 N 1.34 1.40 0.45 0.00 1.70 -0.81 -1.27 118.95 121.76 1rnd s ARG 85 Ca 0.05 -0.46 -0.24 0.00 -0.47 0.00 0.00 55.73 54.61 1rnd s ARG 85 Cb -0.14 -1.24 -0.08 0.00 -0.57 0.00 0.00 34.95 32.92 1rnd s ARG 85 CO -0.08 0.17 1.31 -2.00 -1.08 0.00 0.00 175.30 173.62 1rnd s GLU 86 N 0.15 3.71 0.33 3.89 2.12 0.07 -0.69 118.70 128.29 1rnd s GLU 86 Ca -0.04 2.15 0.03 0.00 0.36 0.00 0.00 54.97 57.47 1rnd s GLU 86 Cb -0.10 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 1rnd s GLU 86 CO 0.01 -0.70 0.50 0.95 -0.54 0.00 0.00 175.26 175.48 1rnd s THR 87 N -1.31 4.75 0.32 -1.70 -4.23 -0.62 -4.79 115.64 108.06 1rnd s THR 87 Ca 0.62 -0.73 0.34 0.00 -1.18 0.00 0.00 61.69 60.74 1rnd s THR 87 Cb -0.38 -3.70 0.34 0.00 1.34 0.00 0.00 72.50 70.10 1rnd s THR 87 CO 0.47 -0.37 2.04 1.23 -0.54 0.00 0.00 174.62 177.46 1rnd h GLY 88 N 0.84 0.00 0.02 3.99 0.00 -1.95 -1.58 103.07 104.38 1rnd h GLY 88 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1rnd h GLY 88 CO 0.59 0.00 -0.04 -1.14 0.00 0.00 0.00 176.54 175.95 1rnd n SER 89 N -2.72 1.07 -4.65 0.19 3.41 -1.26 -4.90 113.62 104.76 1rnd n SER 89 Ca -0.02 -1.24 -0.42 0.00 -0.26 0.00 0.00 58.87 56.92 1rnd n SER 89 Cb 0.08 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1rnd n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rnd s SER 90 N -2.11 6.47 -0.14 4.04 0.15 -0.60 -4.81 113.70 116.70 1rnd s SER 90 Ca 0.37 2.11 -0.05 0.00 0.70 0.00 0.00 55.95 59.08 1rnd s SER 90 Cb 0.21 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 62.06 1rnd s SER 90 CO 0.38 -1.11 0.28 -0.75 1.20 0.00 0.00 173.24 173.23 1rnd s LYS 91 N 4.45 0.17 0.06 5.44 2.20 -0.92 -4.87 119.74 126.26 1rnd s LYS 91 Ca 0.77 0.75 -0.37 0.00 -0.36 0.00 0.00 55.97 56.76 1rnd s LYS 91 Cb -0.32 -0.07 -0.17 0.00 -1.51 0.00 0.00 37.83 35.76 1rnd s LYS 91 CO 0.32 -0.31 1.35 0.98 -0.36 0.00 0.00 175.35 177.33 1rnd n TYR 92 N 5.35 1.49 1.20 4.03 9.36 -1.26 -0.54 117.16 136.79 1rnd n TYR 92 Ca -0.06 0.66 0.10 0.00 3.32 0.00 0.00 57.90 61.92 1rnd n TYR 92 Cb 0.50 -2.32 0.34 0.00 -0.63 0.00 0.00 39.34 37.23 1rnd n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rnd n PRO 93 N 2.64 1.71 -3.10 2.98 -0.04 -1.26 -4.96 135.00 132.97 1rnd n PRO 93 Ca 0.19 -1.08 -0.44 0.00 -0.04 0.00 0.00 63.50 62.14 1rnd n PRO 93 Cb 0.18 -1.37 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 1rnd n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rnd n ASN 94 N 0.31 6.06 -4.77 3.54 3.02 0.30 -4.99 115.26 118.72 1rnd n ASN 94 Ca 0.15 -3.27 -0.39 0.00 -0.03 0.00 0.00 54.58 51.05 1rnd n ASN 94 Cb 0.31 -1.32 -0.03 0.00 -0.61 0.00 0.00 39.78 38.14 1rnd n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rnd s ALA 96 N -1.37 0.46 0.03 0.00 0.00 -1.26 -4.88 121.76 114.75 1rnd s ALA 96 Ca 0.54 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.14 1rnd s ALA 96 Cb -0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1rnd s ALA 96 CO 0.39 0.06 -0.11 0.71 0.00 0.00 0.00 175.76 176.81 1rnd s TYR 97 N -0.53 0.98 -0.05 0.00 1.51 -1.26 -1.58 117.35 116.42 1rnd s TYR 97 Ca -0.02 -0.34 -0.17 0.00 -1.01 0.00 0.00 57.07 55.53 1rnd s TYR 97 Cb -0.05 -0.59 -0.05 0.00 -0.11 0.00 0.00 41.96 41.16 1rnd s TYR 97 CO -0.00 0.00 0.46 0.21 -1.11 0.00 0.00 175.55 175.11 1rnd s LYS 98 N -1.05 4.16 -0.27 -0.62 2.20 0.14 -4.63 119.74 119.68 1rnd s LYS 98 Ca -0.01 0.47 -0.14 0.00 -0.36 0.00 0.00 55.97 55.93 1rnd s LYS 98 Cb -0.07 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1rnd s LYS 98 CO 0.01 0.43 0.35 0.99 -0.36 0.00 0.00 175.35 176.77 1rnd s THR 99 N -0.27 5.19 -0.16 3.43 2.01 -1.26 -1.93 115.64 122.66 1rnd s THR 99 Ca 0.25 0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1rnd s THR 99 Cb -0.16 -3.68 0.03 0.00 0.01 0.00 0.00 72.50 68.70 1rnd s THR 99 CO 0.13 0.17 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.25 1rnd s THR 100 N 1.99 1.32 -0.07 -0.82 2.01 -0.72 -4.97 115.64 114.38 1rnd s THR 100 Ca 0.14 -0.64 -0.23 0.00 0.31 0.00 0.00 61.69 61.28 1rnd s THR 100 Cb -0.16 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1rnd s THR 100 CO 0.10 0.27 0.66 -1.58 -0.69 0.00 0.00 174.62 173.38 1rnd s GLN 101 N 1.56 4.42 0.21 4.92 2.00 -1.26 -0.47 119.66 131.04 1rnd s GLN 101 Ca 0.02 0.81 -0.12 0.00 -2.00 0.00 0.00 55.36 54.08 1rnd s GLN 101 Cb -0.14 -3.44 -0.00 0.00 0.80 0.00 0.00 33.01 30.22 1rnd s GLN 101 CO -0.09 0.09 0.41 0.00 -0.50 0.00 0.00 175.29 175.20 1rnd s ALA 102 N 0.72 -0.20 -0.32 1.58 0.00 -0.73 -5.01 121.76 117.81 1rnd s ALA 102 Ca 0.36 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1rnd s ALA 102 Cb -0.17 0.99 0.06 0.00 0.00 0.00 0.00 23.12 24.00 1rnd s ALA 102 CO 0.17 -0.77 0.04 -0.80 0.00 0.00 0.00 175.76 174.40 1rnd s ASN 103 N -2.99 4.96 0.04 0.00 -0.87 -1.26 -1.58 114.94 113.24 1rnd s ASN 103 Ca 0.20 -1.43 -0.00 0.00 -1.57 0.00 0.00 52.86 50.06 1rnd s ASN 103 Cb 0.01 -1.73 -0.03 0.00 -0.02 0.00 0.00 41.25 39.47 1rnd s ASN 103 CO 0.05 -0.31 -0.03 -0.54 -2.57 0.00 0.00 177.10 173.69 1rnd s LYS 104 N 1.23 0.49 0.48 -0.60 1.02 -0.94 -4.84 119.74 116.58 1rnd s LYS 104 Ca -0.02 -0.96 -0.21 0.00 0.02 0.00 0.00 55.97 54.80 1rnd s LYS 104 Cb -0.20 0.14 -0.08 0.00 -0.52 0.00 0.00 37.83 37.17 1rnd s LYS 104 CO -0.02 -0.08 1.06 -1.01 -0.92 0.00 0.00 175.35 174.38 1rnd s HIS 105 N -2.84 2.98 0.09 3.18 3.76 -0.34 -0.52 115.29 121.59 1rnd s HIS 105 Ca -0.03 1.58 0.05 0.00 -0.15 0.00 0.00 55.06 56.51 1rnd s HIS 105 Cb 0.00 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 1rnd s HIS 105 CO -0.06 -0.95 -0.01 0.96 -0.85 0.00 0.00 174.74 173.83 1rnd s ILE 106 N -1.89 3.95 -0.18 0.60 -4.36 -1.26 -1.65 121.20 116.41 1rnd s ILE 106 Ca 0.67 -1.01 0.01 0.00 -0.26 0.00 0.00 60.65 60.05 1rnd s ILE 106 Cb -0.19 -2.88 0.03 0.00 1.25 0.00 0.00 42.46 40.67 1rnd s ILE 106 CO 0.23 0.12 -0.15 -0.63 0.24 0.00 0.00 174.94 174.75 1rnd s ILE 107 N -1.30 1.81 0.20 8.37 1.01 -0.14 -1.26 121.20 129.89 1rnd s ILE 107 Ca 0.25 -0.92 0.10 0.00 0.00 0.00 0.00 60.65 60.09 1rnd s ILE 107 Cb -0.12 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1rnd s ILE 107 CO 0.18 0.38 -0.20 0.68 0.00 0.00 0.00 174.94 175.97 1rnd s VAL 108 N 1.36 2.09 -0.10 2.92 -7.23 -0.37 -0.28 120.40 118.79 1rnd s VAL 108 Ca 0.02 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 58.07 1rnd s VAL 108 Cb -0.14 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1rnd s VAL 108 CO -0.10 -0.30 0.12 0.00 -0.31 0.00 0.00 175.10 174.51 1rnd s ALA 109 N -2.10 3.78 0.14 1.32 0.00 -0.31 -0.85 121.76 123.74 1rnd s ALA 109 Ca 0.20 -0.69 0.11 0.00 0.00 0.00 0.00 51.96 51.59 1rnd s ALA 109 Cb -0.06 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 1rnd s ALA 109 CO 0.09 0.63 -0.26 0.00 0.00 0.00 0.00 175.76 176.22 1rnd s GLU 111 N -2.20 0.97 0.00 0.00 2.02 -0.79 -4.90 118.70 113.80 1rnd s GLU 111 Ca 0.16 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1rnd s GLU 111 Cb -0.10 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.56 1rnd s GLU 111 CO 0.07 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1rnd n GLY 112 N 0.14 -1.59 2.92 -1.39 0.00 -1.26 -2.46 105.19 101.54 1rnd n GLY 112 Ca -0.17 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.33 1rnd n GLY 112 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rnd s ASN 113 N -0.62 4.11 0.84 1.61 0.02 -1.26 -3.30 114.94 116.34 1rnd s ASN 113 Ca 0.00 -1.50 -0.11 0.00 -1.02 0.00 0.00 52.86 50.23 1rnd s ASN 113 Cb 0.00 -1.22 0.10 0.00 0.02 0.00 0.00 41.25 40.15 1rnd s ASN 113 CO 0.00 -0.31 1.10 -2.84 0.02 0.00 0.00 177.10 175.07 1rnd s PRO 114 N 1.32 1.65 -0.45 -0.60 0.02 -1.26 -5.10 135.00 130.59 1rnd s PRO 114 Ca 0.01 1.14 -0.19 0.00 0.02 0.00 0.00 61.00 61.98 1rnd s PRO 114 Cb -0.19 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.54 1rnd s PRO 114 CO -0.10 -2.06 0.58 -0.47 -0.33 0.00 0.00 177.00 174.61 1rnd s TYR 115 N -2.85 3.09 0.23 6.54 5.04 -1.21 -4.94 117.35 123.26 1rnd s TYR 115 Ca 0.63 -0.28 0.06 0.00 -2.44 0.00 0.00 57.07 55.04 1rnd s TYR 115 Cb -0.19 -3.26 -0.05 0.00 0.35 0.00 0.00 41.96 38.81 1rnd s TYR 115 CO 0.57 -0.87 -0.09 0.14 -1.34 0.00 0.00 175.55 173.96 1rnd s VAL 116 N 2.57 1.54 0.24 3.14 -7.23 -1.03 -4.83 120.40 114.80 1rnd s VAL 116 Ca 0.17 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 1rnd s VAL 116 Cb -0.16 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.47 1rnd s VAL 116 CO 0.15 -0.47 1.42 -2.84 -0.31 0.00 0.00 175.10 173.06 1rnd s PRO 117 N -3.72 4.28 0.00 4.82 0.02 -1.26 -1.88 135.00 137.27 1rnd s PRO 117 Ca 0.25 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1rnd s PRO 117 Cb 0.02 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1rnd s PRO 117 CO 0.08 -0.40 0.28 1.33 -0.33 0.00 0.00 177.00 177.96 1rnd n VAL 118 N 2.44 0.00 -3.66 3.83 0.24 0.05 -4.56 118.33 116.67 1rnd n VAL 118 Ca 0.07 -0.48 -0.12 0.00 -2.04 0.00 0.00 64.34 61.77 1rnd n VAL 118 Cb 0.41 1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.72 1rnd n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rnd s HIS 119 N -0.40 -0.75 -0.39 6.34 5.65 -1.21 -4.68 115.29 119.86 1rnd s HIS 119 Ca 0.00 1.72 -0.24 0.00 0.25 0.00 0.00 55.06 56.79 1rnd s HIS 119 Cb 0.00 0.32 0.01 0.00 -1.18 0.00 0.00 32.58 31.73 1rnd s HIS 119 CO 0.00 -0.37 0.83 0.12 -0.65 0.00 0.00 174.74 174.67 1rnd s PHE 120 N 0.70 3.07 -0.24 3.88 2.19 -1.26 -1.16 117.98 125.16 1rnd s PHE 120 Ca -0.03 0.54 -0.17 0.00 0.33 0.00 0.00 56.93 57.59 1rnd s PHE 120 Cb -0.05 -3.55 -0.16 0.00 -1.31 0.00 0.00 43.02 37.95 1rnd s PHE 120 CO -0.05 -0.83 -0.06 -3.47 1.83 0.00 0.00 175.22 172.65 1rnd n ASP 121 N 6.62 1.91 -3.65 6.13 2.03 0.61 -4.97 116.55 125.24 1rnd n ASP 121 Ca 0.04 0.37 -0.02 0.00 0.52 0.00 0.00 54.79 55.70 1rnd n ASP 121 Cb 0.48 -0.89 -0.04 0.00 -0.72 0.00 0.00 41.12 39.96 1rnd n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rnd s ALA 122 N -2.44 -2.14 -0.06 -1.67 0.00 -1.17 -4.93 121.76 109.34 1rnd s ALA 122 Ca -0.34 1.91 0.01 0.00 0.00 0.00 0.00 51.96 53.55 1rnd s ALA 122 Cb 0.10 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1rnd s ALA 122 CO 0.55 -0.30 -0.07 -1.54 0.00 0.00 0.00 175.76 174.41 1rnd s SER 123 N -1.20 4.66 0.00 0.00 1.04 -1.26 -0.97 113.70 115.97 1rnd s SER 123 Ca 0.10 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1rnd s SER 123 Cb -0.01 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.94 1rnd s SER 123 CO -0.07 0.36 0.14 1.33 0.98 0.00 0.00 173.24 175.98