#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbi n ASN 2 N 0.00 1.47 0.05 3.54 0.23 -1.26 -5.03 115.26 114.26 1cbi n ASN 2 Ca 0.00 -0.37 0.14 0.00 -0.53 0.00 0.00 54.58 53.82 1cbi n ASN 2 Cb 0.00 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.22 1cbi n ASN 2 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1cbi n PHE 3 N -0.10 0.43 -1.88 -2.53 3.01 -1.26 -4.90 117.46 110.23 1cbi n PHE 3 Ca 0.00 0.12 -0.41 0.00 1.01 0.00 0.00 57.45 58.18 1cbi n PHE 3 Cb 0.00 -0.70 -0.00 0.00 -0.01 0.00 0.00 39.48 38.77 1cbi n PHE 3 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cbi s ALA 4 N -3.05 3.49 0.00 4.37 0.00 -1.26 -4.61 121.76 120.71 1cbi s ALA 4 Ca 0.12 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1cbi s ALA 4 Cb 0.16 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1cbi s ALA 4 CO 0.56 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1cbi n GLY 5 N 0.55 0.97 3.72 0.00 0.00 -0.24 -4.93 105.19 105.25 1cbi n GLY 5 Ca 0.02 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 1cbi n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cbi s THR 6 N -1.07 5.34 -0.03 2.61 2.01 -1.26 -0.35 115.64 122.88 1cbi s THR 6 Ca 0.00 0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.49 1cbi s THR 6 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1cbi s THR 6 CO 0.00 0.39 -0.24 0.26 -0.69 0.00 0.00 174.62 174.34 1cbi s TRP 7 N 0.54 2.20 0.01 4.92 0.52 0.13 -2.00 118.94 125.26 1cbi s TRP 7 Ca 0.13 -0.52 0.07 0.00 0.02 0.00 0.00 56.10 55.81 1cbi s TRP 7 Cb -0.12 -1.43 -0.03 0.00 -1.15 0.00 0.00 33.47 30.74 1cbi s TRP 7 CO 0.02 -0.11 -0.22 0.21 0.02 0.00 0.00 176.95 176.87 1cbi s LYS 8 N -0.38 2.07 0.11 4.98 2.20 -0.01 -1.48 119.74 127.23 1cbi s LYS 8 Ca 0.04 -0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 54.39 1cbi s LYS 8 Cb -0.11 -2.11 -0.06 0.00 -1.51 0.00 0.00 37.83 34.04 1cbi s LYS 8 CO 0.01 0.55 0.97 1.41 -0.36 0.00 0.00 175.35 177.93 1cbi s MET 9 N -1.02 4.68 -0.24 4.03 -2.45 -1.26 -0.22 119.30 122.82 1cbi s MET 9 Ca 0.12 1.46 -0.17 0.00 -1.25 0.00 0.00 55.69 55.85 1cbi s MET 9 Cb -0.10 -3.38 -0.14 0.00 1.25 0.00 0.00 34.83 32.46 1cbi s MET 9 CO 0.02 0.19 -0.13 -2.13 1.05 0.00 0.00 175.02 174.02 1cbi n ARG 10 N 2.84 0.57 -3.71 4.11 0.63 0.87 -4.88 116.66 117.10 1cbi n ARG 10 Ca 0.03 0.39 -0.14 0.00 -0.92 0.00 0.00 57.85 57.21 1cbi n ARG 10 Cb 0.49 -1.60 -0.08 0.00 0.45 0.00 0.00 32.46 31.72 1cbi n ARG 10 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1cbi s SER 11 N -7.11 -0.32 0.13 6.15 1.04 -1.20 -5.00 113.70 107.40 1cbi s SER 11 Ca -0.34 0.31 0.09 0.00 0.48 0.00 0.00 55.95 56.50 1cbi s SER 11 Cb 0.10 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1cbi s SER 11 CO 0.52 -0.44 -0.22 -0.55 0.98 0.00 0.00 173.24 173.52 1cbi s SER 12 N -1.11 2.85 -0.14 7.02 0.15 -1.26 -0.77 113.70 120.45 1cbi s SER 12 Ca -0.11 -0.76 -0.11 0.00 0.70 0.00 0.00 55.95 55.67 1cbi s SER 12 Cb -0.04 -0.18 0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1cbi s SER 12 CO 0.05 0.07 0.35 -0.70 1.20 0.00 0.00 173.24 174.21 1cbi s GLU 13 N -2.24 0.38 -1.42 5.44 -6.30 0.93 -4.89 118.70 110.61 1cbi s GLU 13 Ca 0.12 0.56 0.00 0.00 -2.50 0.00 0.00 54.97 53.15 1cbi s GLU 13 Cb -0.09 0.12 0.00 0.00 0.00 0.00 0.00 34.13 34.16 1cbi s GLU 13 CO 0.06 -0.09 0.00 -1.71 0.02 0.00 0.00 175.26 173.54 1cbi n ASN 14 N 3.33 -5.25 -0.10 -1.70 5.15 -1.26 -1.72 115.26 113.71 1cbi n ASN 14 Ca -0.17 0.33 -0.10 0.00 -0.60 0.00 0.00 54.58 54.04 1cbi n ASN 14 Cb 0.57 -3.93 -0.03 0.00 -0.53 0.00 0.00 39.78 35.86 1cbi n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1cbi h PHE 15 N 0.00 0.46 -0.65 1.20 3.57 -1.89 -1.06 116.94 118.57 1cbi h PHE 15 Ca -0.27 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.21 1cbi h PHE 15 Cb 1.09 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1cbi h PHE 15 CO 0.51 0.47 0.41 0.22 -2.23 0.00 0.00 178.31 177.68 1cbi h ASP 16 N 0.33 0.68 -0.37 0.41 3.58 -1.96 -1.59 116.42 117.49 1cbi h ASP 16 Ca 0.10 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.55 1cbi h ASP 16 Cb 0.21 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1cbi h ASP 16 CO -0.01 0.48 0.24 -0.08 -2.88 0.00 0.00 179.24 176.99 1cbi h GLU 17 N 0.81 0.48 -0.07 0.28 4.57 -1.89 -1.60 114.58 117.17 1cbi h GLU 17 Ca 0.25 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.44 1cbi h GLU 17 Cb -0.01 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 1cbi h GLU 17 CO -0.09 0.32 -0.15 1.25 -1.18 0.00 0.00 179.01 179.16 1cbi h LEU 18 N 0.49 -0.45 -1.49 1.64 5.85 -0.55 -0.46 115.31 120.35 1cbi h LEU 18 Ca 0.14 0.08 0.17 0.00 0.84 0.00 0.00 57.88 59.11 1cbi h LEU 18 Cb -0.04 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1cbi h LEU 18 CO -0.04 -0.20 0.56 -0.07 -0.34 0.00 0.00 178.44 178.35 1cbi h LEU 19 N -0.22 0.45 -0.46 2.25 3.38 -0.90 0.35 115.31 120.16 1cbi h LEU 19 Ca 0.07 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1cbi h LEU 19 Cb 0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1cbi h LEU 19 CO -0.19 0.21 -0.40 0.50 0.09 0.00 0.00 178.44 178.64 1cbi h LYS 20 N 0.47 0.83 -0.58 1.13 3.64 -0.18 0.36 116.57 122.24 1cbi h LYS 20 Ca 0.43 -0.44 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1cbi h LYS 20 Cb 0.98 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 1cbi h LYS 20 CO -0.17 1.08 0.30 0.00 -2.27 0.00 0.00 179.45 178.39 1cbi h ALA 21 N 0.86 0.75 0.00 5.00 0.00 0.11 0.13 119.26 126.11 1cbi h ALA 21 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cbi h ALA 21 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1cbi h ALA 21 CO 0.09 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1cbi n LEU 22 N -4.85 0.00 -0.08 0.00 7.99 -0.22 -4.89 117.00 114.96 1cbi n LEU 22 Ca 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.05 1cbi n LEU 22 Cb 0.15 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1cbi n LEU 22 CO 0.29 0.00 -0.01 0.61 -1.51 0.00 0.00 177.39 176.77 1cbi n GLY 23 N 0.36 0.42 3.70 -0.72 0.00 0.44 -4.99 105.19 104.41 1cbi n GLY 23 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1cbi n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cbi s VAL 24 N -1.77 3.78 0.63 1.61 1.01 0.07 -4.98 120.40 120.76 1cbi s VAL 24 Ca 0.00 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.06 1cbi s VAL 24 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1cbi s VAL 24 CO 0.00 0.06 1.10 0.54 0.00 0.00 0.00 175.10 176.80 1cbi s ASN 25 N 1.33 5.35 0.17 3.32 2.20 -1.26 -4.45 114.94 121.60 1cbi s ASN 25 Ca 0.61 1.99 -0.09 0.00 -0.94 0.00 0.00 52.86 54.44 1cbi s ASN 25 Cb -0.31 -2.55 0.23 0.00 -2.00 0.00 0.00 41.25 36.62 1cbi s ASN 25 CO 0.28 -1.47 1.05 0.00 -2.94 0.00 0.00 177.10 174.02 1cbi n ALA 26 N -2.15 0.03 0.23 3.54 0.00 -1.26 -0.48 120.51 120.42 1cbi n ALA 26 Ca 0.10 0.70 -0.14 0.00 0.00 0.00 0.00 53.44 54.11 1cbi n ALA 26 Cb 0.52 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 1cbi n ALA 26 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1cbi h MET 27 N 0.00 -0.57 -0.46 0.00 1.85 -2.00 -1.92 114.93 111.82 1cbi h MET 27 Ca 0.28 0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.44 1cbi h MET 27 Cb 0.44 0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.58 1cbi h MET 27 CO -0.68 -0.27 0.31 -0.07 -0.40 0.00 0.00 176.91 175.80 1cbi h LEU 28 N -0.90 0.42 0.01 3.39 3.38 -1.73 -0.38 115.31 119.50 1cbi h LEU 28 Ca -0.06 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1cbi h LEU 28 Cb 0.57 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1cbi h LEU 28 CO 0.10 0.29 -0.01 -0.09 0.09 0.00 0.00 178.44 178.82 1cbi h ARG 29 N 0.48 -0.02 -0.68 1.13 2.43 -0.70 -0.59 114.38 116.44 1cbi h ARG 29 Ca 0.19 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1cbi h ARG 29 Cb 0.15 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 1cbi h ARG 29 CO -0.05 0.03 0.38 -0.22 -1.51 0.00 0.00 179.97 178.61 1cbi h LYS 30 N -0.06 0.69 -0.32 0.20 3.64 -0.27 0.44 116.57 120.89 1cbi h LYS 30 Ca -0.00 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1cbi h LYS 30 Cb 0.06 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1cbi h LYS 30 CO 0.00 0.45 -0.31 -0.39 -2.27 0.00 0.00 179.45 176.94 1cbi h VAL 31 N 0.71 1.28 -0.09 2.00 -1.51 -1.19 -2.91 116.25 114.54 1cbi h VAL 31 Ca 0.31 -1.44 -0.02 0.00 -1.23 0.00 0.00 66.70 64.32 1cbi h VAL 31 Cb 0.19 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1cbi h VAL 31 CO -0.18 0.47 -0.00 0.00 -1.23 0.00 0.00 177.57 176.62 1cbi h ALA 32 N 1.08 0.13 -0.59 5.19 0.00 0.36 -1.96 119.26 123.48 1cbi h ALA 32 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1cbi h ALA 32 Cb 0.81 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1cbi h ALA 32 CO 0.07 -0.18 0.36 0.28 0.00 0.00 0.00 179.25 179.78 1cbi h VAL 33 N -0.12 1.16 0.38 0.00 2.07 -0.21 -2.63 116.25 116.91 1cbi h VAL 33 Ca 0.03 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1cbi h VAL 33 Cb 0.36 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1cbi h VAL 33 CO 0.01 0.16 -0.18 0.00 0.02 0.00 0.00 177.57 177.58 1cbi h ALA 34 N 1.60 -0.51 0.00 1.67 0.00 -1.42 -3.18 119.26 117.42 1cbi h ALA 34 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cbi h ALA 34 Cb -0.05 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1cbi h ALA 34 CO -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 179.25 178.61 1cbi h ALA 35 N -0.50 1.00 0.00 0.00 0.00 -1.29 -2.79 119.26 115.69 1cbi h ALA 35 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1cbi h ALA 35 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1cbi h ALA 35 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1cbi h ALA 36 N 2.01 1.00 0.00 0.00 0.00 -1.44 -3.25 119.26 117.57 1cbi h ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cbi h ALA 36 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cbi h ALA 36 CO 0.00 0.00 -0.45 -1.13 0.00 0.00 0.00 179.25 177.67 1cbi n SER 37 N -3.06 0.53 0.10 0.00 3.41 -1.05 -4.31 113.62 109.23 1cbi n SER 37 Ca 0.02 0.05 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 1cbi n SER 37 Cb 0.42 0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.28 1cbi n SER 37 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1cbi h LYS 38 N 0.00 0.23 -7.35 4.33 1.57 -1.74 -3.46 116.57 110.15 1cbi h LYS 38 Ca 0.00 -0.39 -0.51 0.00 -1.87 0.00 0.00 60.65 57.89 1cbi h LYS 38 Cb 0.61 0.14 0.11 0.00 0.08 0.00 0.00 32.23 33.17 1cbi h LYS 38 CO 0.00 1.18 0.34 -1.25 -0.57 0.00 0.00 179.45 179.16 1cbi s PRO 39 N -2.67 2.50 -0.05 3.15 0.04 -1.26 -4.88 135.00 131.83 1cbi s PRO 39 Ca -0.03 0.93 0.06 0.00 0.04 0.00 0.00 61.00 62.00 1cbi s PRO 39 Cb 0.08 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1cbi s PRO 39 CO 0.87 -1.40 -0.25 -1.01 0.04 0.00 0.00 177.00 175.25 1cbi s HIS 40 N -3.03 2.41 -0.10 0.56 3.76 -0.18 -4.66 115.29 114.05 1cbi s HIS 40 Ca 0.60 -0.69 -0.06 0.00 -0.15 0.00 0.00 55.06 54.75 1cbi s HIS 40 Cb -0.15 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 1cbi s HIS 40 CO 0.55 -0.20 0.14 0.08 -0.85 0.00 0.00 174.74 174.46 1cbi s VAL 41 N -0.20 5.44 -0.20 -0.90 1.01 -0.55 -0.95 120.40 124.05 1cbi s VAL 41 Ca -0.02 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 1cbi s VAL 41 Cb -0.13 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.90 1cbi s VAL 41 CO 0.03 0.57 -0.04 -0.70 0.00 0.00 0.00 175.10 174.96 1cbi s GLU 42 N -1.18 1.45 -0.13 2.72 2.12 0.96 0.21 118.70 124.86 1cbi s GLU 42 Ca 0.17 -0.72 -0.06 0.00 0.36 0.00 0.00 54.97 54.72 1cbi s GLU 42 Cb -0.12 -2.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.94 1cbi s GLU 42 CO 0.06 -0.53 0.10 0.42 -0.54 0.00 0.00 175.26 174.78 1cbi s ILE 43 N 1.55 5.17 -0.23 -3.70 1.01 0.53 -0.92 121.20 124.61 1cbi s ILE 43 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1cbi s ILE 43 Cb -0.17 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.08 1cbi s ILE 43 CO -0.07 0.58 -0.11 -0.60 0.00 0.00 0.00 174.94 174.74 1cbi s ARG 44 N -0.73 2.73 -0.10 2.79 3.00 0.41 -1.08 118.95 125.96 1cbi s ARG 44 Ca 0.13 -1.03 0.03 0.00 -1.00 0.00 0.00 55.73 53.85 1cbi s ARG 44 Cb -0.12 -2.84 -0.01 0.00 0.00 0.00 0.00 34.95 31.98 1cbi s ARG 44 CO 0.03 -0.39 -0.19 -1.14 0.00 0.00 0.00 175.30 173.61 1cbi s GLN 45 N 1.26 3.08 -0.34 5.12 0.74 -1.26 -0.94 119.66 127.32 1cbi s GLN 45 Ca -0.01 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.60 1cbi s GLN 45 Cb -0.16 -2.42 0.13 0.00 1.10 0.00 0.00 33.01 31.66 1cbi s GLN 45 CO -0.07 0.25 0.22 0.34 -0.55 0.00 0.00 175.29 175.48 1cbi s ASP 46 N 0.20 2.81 1.68 6.67 -1.08 0.12 -4.88 116.67 122.18 1cbi s ASP 46 Ca -0.12 -1.82 0.00 0.00 -0.52 0.00 0.00 52.55 50.09 1cbi s ASP 46 Cb -0.16 -0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.08 1cbi s ASP 46 CO 0.06 -0.34 0.00 0.61 0.52 0.00 0.00 175.17 176.02 1cbi n GLY 47 N 4.43 3.47 0.05 2.66 0.00 -1.26 -0.72 105.19 113.81 1cbi n GLY 47 Ca 0.07 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1cbi n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cbi n ASP 48 N 9.25 0.69 -4.73 1.61 8.00 -1.26 -4.90 116.55 125.21 1cbi n ASP 48 Ca 0.00 -0.49 -0.40 0.00 0.71 0.00 0.00 54.79 54.62 1cbi n ASP 48 Cb 0.00 0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 1cbi n ASP 48 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1cbi s GLN 49 N -2.92 4.43 0.07 -1.24 -1.52 0.10 0.18 119.66 118.77 1cbi s GLN 49 Ca 0.13 0.90 0.06 0.00 -1.95 0.00 0.00 55.36 54.49 1cbi s GLN 49 Cb 0.18 -3.40 -0.03 0.00 -0.22 0.00 0.00 33.01 29.53 1cbi s GLN 49 CO 0.70 0.18 -0.17 -0.06 -0.25 0.00 0.00 175.29 175.69 1cbi s PHE 50 N 0.37 1.47 -0.18 0.91 0.40 -0.35 0.15 117.98 120.75 1cbi s PHE 50 Ca 0.36 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.23 1cbi s PHE 50 Cb -0.19 -0.84 0.07 0.00 0.51 0.00 0.00 43.02 42.57 1cbi s PHE 50 CO 0.19 0.10 0.11 -0.47 0.70 0.00 0.00 175.22 175.85 1cbi s TYR 51 N -1.08 0.15 -0.16 0.36 5.04 -0.11 -2.14 117.35 119.40 1cbi s TYR 51 Ca 0.03 -0.29 -0.02 0.00 -2.44 0.00 0.00 57.07 54.35 1cbi s TYR 51 Cb -0.09 -0.67 -0.02 0.00 0.35 0.00 0.00 41.96 41.53 1cbi s TYR 51 CO 0.03 -0.54 -0.08 0.42 -1.34 0.00 0.00 175.55 174.04 1cbi s ILE 52 N 2.16 3.40 -0.24 3.14 1.01 -0.21 -0.45 121.20 130.01 1cbi s ILE 52 Ca 0.03 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 1cbi s ILE 52 Cb -0.16 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1cbi s ILE 52 CO -0.11 0.49 -0.03 -0.54 0.00 0.00 0.00 174.94 174.76 1cbi s LYS 53 N 0.61 3.17 -0.67 2.79 1.02 -0.09 -2.04 119.74 124.54 1cbi s LYS 53 Ca -0.05 -0.77 -0.10 0.00 0.02 0.00 0.00 55.97 55.07 1cbi s LYS 53 Cb -0.15 -3.07 0.17 0.00 -0.52 0.00 0.00 37.83 34.27 1cbi s LYS 53 CO 0.03 -0.30 0.56 0.99 -0.92 0.00 0.00 175.35 175.71 1cbi s THR 54 N 1.44 4.75 0.32 2.17 2.01 0.05 -0.03 115.64 126.35 1cbi s THR 54 Ca 0.04 -2.35 0.03 0.00 0.31 0.00 0.00 61.69 59.71 1cbi s THR 54 Cb -0.15 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.36 1cbi s THR 54 CO -0.03 -0.92 0.23 -1.54 -0.69 0.00 0.00 174.62 171.68 1cbi n SER 55 N 4.18 2.03 0.00 3.53 3.41 -0.12 -1.51 113.62 125.14 1cbi n SER 55 Ca 0.05 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 1cbi n SER 55 Cb 0.42 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1cbi n SER 55 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1cbi n THR 56 N -1.23 0.00 0.03 6.66 -2.24 -0.74 -1.01 114.28 115.75 1cbi n THR 56 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1cbi n THR 56 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1cbi n THR 56 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1cbi n THR 57 N 0.00 0.00 -0.99 4.28 -2.24 -1.26 -4.71 114.28 109.36 1cbi n THR 57 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1cbi n THR 57 Cb 0.00 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1cbi n THR 57 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1cbi n VAL 58 N -0.15 0.00 -4.12 2.28 0.24 -1.26 -5.11 118.33 110.21 1cbi n VAL 58 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1cbi n VAL 58 Cb 0.01 1.16 -0.10 0.00 -1.47 0.00 0.00 33.84 33.45 1cbi n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1cbi s ARG 59 N 0.00 0.70 -0.28 7.34 6.06 -1.26 -5.16 118.95 126.34 1cbi s ARG 59 Ca 0.00 -1.16 -0.17 0.00 -2.50 0.00 0.00 55.73 51.89 1cbi s ARG 59 Cb 0.00 -0.11 0.12 0.00 0.06 0.00 0.00 34.95 35.02 1cbi s ARG 59 CO 0.00 -0.03 0.89 -0.08 -2.50 0.00 0.00 175.30 173.58 1cbi s THR 60 N -3.15 0.00 -0.17 4.11 -1.32 -1.26 -1.78 115.64 112.07 1cbi s THR 60 Ca 0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1cbi s THR 60 Cb 0.02 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.02 1cbi s THR 60 CO -0.05 0.00 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.31 1cbi s THR 61 N 1.26 2.42 0.04 5.08 2.01 -0.57 -4.97 115.64 120.92 1cbi s THR 61 Ca -0.08 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.18 1cbi s THR 61 Cb -0.04 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1cbi s THR 61 CO -0.15 0.52 -0.26 -1.61 -0.69 0.00 0.00 174.62 172.43 1cbi s GLU 62 N 1.10 1.79 -0.15 4.92 2.02 -1.26 -0.77 118.70 126.34 1cbi s GLU 62 Ca 0.00 -1.10 -0.22 0.00 0.02 0.00 0.00 54.97 53.66 1cbi s GLU 62 Cb -0.14 -1.96 0.06 0.00 0.10 0.00 0.00 34.13 32.18 1cbi s GLU 62 CO -0.06 0.51 0.58 -1.50 0.02 0.00 0.00 175.26 174.81 1cbi s ILE 63 N -0.80 0.01 0.12 -1.63 2.07 -0.86 -5.02 121.20 115.08 1cbi s ILE 63 Ca 0.12 -0.06 0.08 0.00 -1.41 0.00 0.00 60.65 59.38 1cbi s ILE 63 Cb -0.10 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 1cbi s ILE 63 CO 0.02 -0.03 -0.20 0.54 -1.91 0.00 0.00 174.94 173.35 1cbi s ASN 64 N -0.27 2.61 0.24 4.50 4.22 -1.26 -1.04 114.94 123.93 1cbi s ASN 64 Ca -0.04 -0.73 -0.22 0.00 -2.14 0.00 0.00 52.86 49.72 1cbi s ASN 64 Cb -0.03 -0.15 0.03 0.00 1.28 0.00 0.00 41.25 42.38 1cbi s ASN 64 CO 0.04 0.04 0.79 0.72 -2.04 0.00 0.00 177.10 176.65 1cbi s PHE 65 N -1.37 -0.18 -0.10 1.54 -0.12 -0.91 -4.97 117.98 111.87 1cbi s PHE 65 Ca 0.09 -0.23 -0.00 0.00 -0.05 0.00 0.00 56.93 56.74 1cbi s PHE 65 Cb -0.09 0.69 0.02 0.00 -0.63 0.00 0.00 43.02 43.01 1cbi s PHE 65 CO 0.05 -1.11 -0.08 0.21 -0.05 0.00 0.00 175.22 174.24 1cbi s LYS 66 N -3.73 1.47 0.11 1.99 2.20 -1.26 -1.21 119.74 119.31 1cbi s LYS 66 Ca 0.11 -0.25 -0.31 0.00 -0.36 0.00 0.00 55.97 55.16 1cbi s LYS 66 Cb -0.05 -1.49 -0.09 0.00 -1.51 0.00 0.00 37.83 34.69 1cbi s LYS 66 CO 0.05 -0.22 1.70 0.08 -0.36 0.00 0.00 175.35 176.61 1cbi s VAL 67 N 1.54 2.74 0.00 4.02 1.01 0.13 -1.98 120.40 127.85 1cbi s VAL 67 Ca 0.01 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1cbi s VAL 67 Cb -0.13 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1cbi s VAL 67 CO -0.06 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1cbi n GLY 68 N 4.04 0.73 2.93 4.51 0.00 0.31 -4.86 105.19 112.85 1cbi n GLY 68 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1cbi n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cbi s GLU 69 N -0.52 0.75 0.74 1.61 2.12 -0.84 -4.99 118.70 117.58 1cbi s GLU 69 Ca 0.00 -0.16 -0.15 0.00 0.36 0.00 0.00 54.97 55.02 1cbi s GLU 69 Cb 0.00 -0.74 0.04 0.00 0.26 0.00 0.00 34.13 33.69 1cbi s GLU 69 CO 0.00 0.01 1.21 0.20 -0.54 0.00 0.00 175.26 176.14 1cbi s GLY 70 N 0.51 2.35 0.37 -1.50 0.00 -1.26 -4.50 107.32 103.28 1cbi s GLY 70 Ca -0.07 0.89 -0.03 0.00 0.00 0.00 0.00 44.72 45.52 1cbi s GLY 70 CO 0.00 1.31 0.53 -0.11 0.00 0.00 0.00 173.10 174.83 1cbi s PHE 71 N -1.97 1.01 0.05 1.90 -0.71 -0.57 -4.95 117.98 112.74 1cbi s PHE 71 Ca 0.75 -1.29 0.09 0.00 -1.04 0.00 0.00 56.93 55.43 1cbi s PHE 71 Cb -0.30 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 1cbi s PHE 71 CO 0.46 -1.23 -0.24 -2.00 -1.34 0.00 0.00 175.22 170.87 1cbi s GLU 72 N -2.80 1.58 0.00 1.99 2.12 -1.26 -0.62 118.70 119.71 1cbi s GLU 72 Ca 0.29 -1.06 0.00 0.00 0.36 0.00 0.00 54.97 54.56 1cbi s GLU 72 Cb -0.01 -1.76 0.00 0.00 0.26 0.00 0.00 34.13 32.62 1cbi s GLU 72 CO 0.21 0.45 0.00 -0.85 -0.54 0.00 0.00 175.26 174.52 1cbi n GLU 73 N 1.71 0.00 -3.86 4.30 0.28 -0.53 -4.95 120.64 117.59 1cbi n GLU 73 Ca -0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.70 1cbi n GLU 73 Cb 0.53 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.25 1cbi n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1cbi s GLU 74 N 2.69 0.02 0.86 3.44 2.02 -1.26 -2.22 118.70 124.25 1cbi s GLU 74 Ca 0.00 0.04 -0.11 0.00 0.02 0.00 0.00 54.97 54.92 1cbi s GLU 74 Cb 0.00 -0.10 0.11 0.00 0.10 0.00 0.00 34.13 34.25 1cbi s GLU 74 CO 0.00 -0.04 1.13 0.95 0.02 0.00 0.00 175.26 177.33 1cbi s THR 75 N 0.28 2.45 0.42 3.63 -4.23 0.11 -4.82 115.64 113.48 1cbi s THR 75 Ca -0.02 0.15 0.23 0.00 -1.18 0.00 0.00 61.69 60.87 1cbi s THR 75 Cb -0.04 -2.35 0.43 0.00 1.34 0.00 0.00 72.50 71.89 1cbi s THR 75 CO -0.01 -0.19 1.71 -0.37 -0.54 0.00 0.00 174.62 175.23 1cbi h VAL 76 N -1.54 0.36 -0.07 2.29 -1.51 -2.00 0.22 116.25 114.01 1cbi h VAL 76 Ca -0.44 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1cbi h VAL 76 Cb 1.26 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1cbi h VAL 76 CO 0.45 0.05 0.00 -0.90 -1.23 0.00 0.00 177.57 175.94 1cbi n ASP 77 N -4.65 0.70 0.00 4.19 5.75 -1.26 -4.91 116.55 116.36 1cbi n ASP 77 Ca 0.30 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 1cbi n ASP 77 Cb 1.10 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 41.14 1cbi n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cbi n GLY 78 N 0.92 0.90 3.90 6.12 0.00 0.77 -5.08 105.19 112.71 1cbi n GLY 78 Ca 0.14 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1cbi n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cbi s ARG 79 N -0.53 3.65 0.13 1.61 0.52 -1.24 -4.83 118.95 118.26 1cbi s ARG 79 Ca 0.00 -0.02 -0.29 0.00 -0.52 0.00 0.00 55.73 54.90 1cbi s ARG 79 Cb 0.00 -2.77 -0.07 0.00 0.52 0.00 0.00 34.95 32.63 1cbi s ARG 79 CO 0.00 0.39 0.91 0.15 0.02 0.00 0.00 175.30 176.77 1cbi s LYS 80 N -2.91 4.69 0.07 3.54 1.02 -1.26 0.08 119.74 124.97 1cbi s LYS 80 Ca 0.43 1.38 -0.18 0.00 0.02 0.00 0.00 55.97 57.61 1cbi s LYS 80 Cb -0.12 -3.35 0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1cbi s LYS 80 CO 0.25 0.32 0.43 0.00 -0.92 0.00 0.00 175.35 175.43 1cbi s ARG 82 N -2.84 3.78 0.10 0.00 3.52 -0.06 -1.45 118.95 121.99 1cbi s ARG 82 Ca -0.03 0.10 0.09 0.00 -0.13 0.00 0.00 55.73 55.76 1cbi s ARG 82 Cb -0.00 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1cbi s ARG 82 CO -0.05 0.64 -0.23 -1.12 -0.81 0.00 0.00 175.30 173.72 1cbi s SER 83 N -0.74 2.84 -0.37 -2.12 0.01 0.21 -1.17 113.70 112.36 1cbi s SER 83 Ca 0.18 -0.67 0.02 0.00 1.31 0.00 0.00 55.95 56.79 1cbi s SER 83 Cb -0.14 -0.19 0.11 0.00 0.21 0.00 0.00 66.02 66.01 1cbi s SER 83 CO 0.07 0.13 0.14 -0.22 0.41 0.00 0.00 173.24 173.78 1cbi s LEU 84 N -1.77 3.11 0.11 2.44 0.20 -0.14 -1.51 118.68 121.11 1cbi s LEU 84 Ca 0.10 -2.16 -0.26 0.00 0.69 0.00 0.00 54.13 52.49 1cbi s LEU 84 Cb -0.10 -1.15 -0.07 0.00 -0.43 0.00 0.00 46.19 44.45 1cbi s LEU 84 CO 0.04 -0.35 0.80 -2.16 -0.29 0.00 0.00 176.35 174.40 1cbi s PRO 85 N 0.93 4.57 -0.02 0.98 0.04 -1.26 -2.70 135.00 137.53 1cbi s PRO 85 Ca 0.13 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 1cbi s PRO 85 Cb -0.21 -3.33 0.02 0.00 0.04 0.00 0.00 34.50 31.02 1cbi s PRO 85 CO -0.12 0.39 0.25 0.95 0.04 0.00 0.00 177.00 178.51 1cbi s THR 86 N -0.48 0.06 -0.44 1.26 -4.23 -0.43 -0.53 115.64 110.86 1cbi s THR 86 Ca 0.39 -0.51 -0.28 0.00 -1.18 0.00 0.00 61.69 60.11 1cbi s THR 86 Cb -0.22 -0.53 0.03 0.00 1.34 0.00 0.00 72.50 73.11 1cbi s THR 86 CO 0.25 -0.28 1.07 0.26 -0.54 0.00 0.00 174.62 175.39 1cbi s TRP 87 N -1.21 2.92 0.04 3.99 0.52 -1.26 -0.74 118.94 123.20 1cbi s TRP 87 Ca -0.13 0.76 -0.21 0.00 0.02 0.00 0.00 56.10 56.54 1cbi s TRP 87 Cb -0.06 -4.15 -0.14 0.00 -1.15 0.00 0.00 33.47 27.97 1cbi s TRP 87 CO 0.03 -1.11 1.40 0.93 0.02 0.00 0.00 176.95 178.22 1cbi h GLU 88 N 8.92 0.28 -3.44 4.98 5.08 -1.01 -3.47 114.58 125.92 1cbi h GLU 88 Ca -0.23 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1cbi h GLU 88 Cb 1.06 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.21 1cbi h GLU 88 CO 1.08 0.60 -0.03 0.54 -1.00 0.00 0.00 179.01 180.20 1cbi s ASN 89 N -5.92 -0.17 0.29 1.42 2.20 -1.17 -5.01 114.94 106.59 1cbi s ASN 89 Ca -0.14 -0.70 0.10 0.00 -0.94 0.00 0.00 52.86 51.17 1cbi s ASN 89 Cb 0.05 0.59 0.92 0.00 -2.00 0.00 0.00 41.25 40.81 1cbi s ASN 89 CO 0.73 -1.12 1.34 1.21 -2.94 0.00 0.00 177.10 176.32 1cbi n GLU 90 N -0.36 -0.06 -0.90 3.55 2.13 -1.26 -0.65 120.64 123.09 1cbi n GLU 90 Ca -0.06 1.22 -0.02 0.00 0.66 0.00 0.00 57.16 58.97 1cbi n GLU 90 Cb 0.62 -2.08 0.30 0.00 0.27 0.00 0.00 31.44 30.55 1cbi n GLU 90 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1cbi n ASN 91 N -5.07 4.56 -3.66 4.31 4.13 -1.26 -4.94 115.26 113.32 1cbi n ASN 91 Ca 0.27 -3.22 -0.07 0.00 1.68 0.00 0.00 54.58 53.24 1cbi n ASN 91 Cb 0.89 -0.70 -0.08 0.00 -1.54 0.00 0.00 39.78 38.36 1cbi n ASN 91 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1cbi s LYS 92 N -2.97 0.44 -0.15 3.52 2.20 0.17 -1.00 119.74 121.96 1cbi s LYS 92 Ca 0.52 1.13 -0.08 0.00 -0.36 0.00 0.00 55.97 57.18 1cbi s LYS 92 Cb 0.42 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 37.10 1cbi s LYS 92 CO 0.12 -0.21 0.14 0.42 -0.36 0.00 0.00 175.35 175.46 1cbi s ILE 93 N 2.41 5.47 -0.04 5.43 1.01 1.00 -0.32 121.20 136.15 1cbi s ILE 93 Ca -0.05 0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.88 1cbi s ILE 93 Cb -0.11 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 1cbi s ILE 93 CO -0.15 0.55 -0.25 -2.28 0.00 0.00 0.00 174.94 172.81 1cbi s HIS 94 N -0.51 2.38 -0.11 3.97 2.46 0.08 -0.73 115.29 122.83 1cbi s HIS 94 Ca 0.13 -0.60 -0.02 0.00 0.47 0.00 0.00 55.06 55.04 1cbi s HIS 94 Cb -0.12 -1.55 0.04 0.00 -0.13 0.00 0.00 32.58 30.82 1cbi s HIS 94 CO 0.02 -0.14 0.02 0.00 -2.47 0.00 0.00 174.74 172.17 1cbi s THR 96 N 1.98 4.61 0.03 0.00 2.01 -1.10 -1.38 115.64 121.79 1cbi s THR 96 Ca 0.03 1.14 0.06 0.00 0.31 0.00 0.00 61.69 63.24 1cbi s THR 96 Cb -0.14 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1cbi s THR 96 CO -0.06 0.04 -0.17 -1.10 -0.69 0.00 0.00 174.62 172.64 1cbi s GLN 97 N -2.39 1.23 -0.07 4.92 -0.21 -0.96 -0.97 119.66 121.21 1cbi s GLN 97 Ca 0.48 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 55.07 1cbi s GLN 97 Cb -0.14 -1.27 0.03 0.00 1.00 0.00 0.00 33.01 32.63 1cbi s GLN 97 CO 0.19 0.33 -0.01 0.99 -2.12 0.00 0.00 175.29 174.67 1cbi s THR 98 N -0.69 0.45 0.59 -0.19 2.01 -0.32 -4.33 115.64 113.16 1cbi s THR 98 Ca 0.05 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.92 1cbi s THR 98 Cb -0.08 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1cbi s THR 98 CO 0.01 0.26 1.20 -0.76 -0.69 0.00 0.00 174.62 174.64 1cbi s LEU 99 N 1.78 3.67 -0.27 4.42 1.43 -1.26 -0.88 118.68 127.57 1cbi s LEU 99 Ca 0.02 2.35 -0.13 0.00 -1.03 0.00 0.00 54.13 55.35 1cbi s LEU 99 Cb -0.13 -4.60 -0.12 0.00 0.03 0.00 0.00 46.19 41.38 1cbi s LEU 99 CO -0.05 -1.54 -0.35 0.18 0.23 0.00 0.00 176.35 174.82 1cbi n LEU 100 N -1.56 1.97 -4.49 1.79 4.77 -0.77 -4.83 117.00 113.87 1cbi n LEU 100 Ca 0.13 0.32 -0.43 0.00 -0.03 0.00 0.00 56.01 56.00 1cbi n LEU 100 Cb 0.50 -0.81 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1cbi n LEU 100 CO 0.44 0.58 0.32 -0.70 -1.33 0.00 0.00 177.39 176.70 1cbi s GLU 101 N -2.50 3.20 1.31 3.23 2.56 -1.26 -4.95 118.70 120.29 1cbi s GLU 101 Ca -0.38 -0.59 0.00 0.00 0.00 0.00 0.00 54.97 54.00 1cbi s GLU 101 Cb 0.15 -4.00 0.00 0.00 2.00 0.00 0.00 34.13 32.28 1cbi s GLU 101 CO 0.49 -1.05 0.00 0.41 -0.56 0.00 0.00 175.26 174.55 1cbi n GLY 102 N 5.09 -1.80 2.94 -1.50 0.00 -1.26 -4.91 105.19 103.75 1cbi n GLY 102 Ca -0.04 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 1cbi n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cbi s ASP 103 N -4.00 0.44 0.00 1.61 2.15 -1.26 -4.85 116.67 110.76 1cbi s ASP 103 Ca 0.00 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.85 1cbi s ASP 103 Cb 0.00 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.59 1cbi s ASP 103 CO 0.00 0.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 1cbi n GLY 104 N 2.78 1.85 3.66 2.66 0.00 -1.26 -5.15 105.19 109.72 1cbi n GLY 104 Ca -0.14 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 1cbi n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cbi n PRO 105 N 0.00 1.86 -2.20 1.61 -0.02 -1.26 -4.90 135.00 130.09 1cbi n PRO 105 Ca 0.00 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 1cbi n PRO 105 Cb 0.00 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 1cbi n PRO 105 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1cbi s LYS 106 N -1.46 4.03 0.10 -0.52 1.02 -1.26 -4.87 119.74 116.78 1cbi s LYS 106 Ca 0.59 1.77 0.02 0.00 0.02 0.00 0.00 55.97 58.37 1cbi s LYS 106 Cb -0.63 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 32.71 1cbi s LYS 106 CO 0.59 -0.99 0.15 0.95 -0.92 0.00 0.00 175.35 175.13 1cbi s THR 107 N 4.33 4.86 -0.00 2.17 -4.23 -1.26 -2.10 115.64 119.41 1cbi s THR 107 Ca 0.66 -0.70 -0.28 0.00 -1.18 0.00 0.00 61.69 60.18 1cbi s THR 107 Cb -0.26 -3.39 0.10 0.00 1.34 0.00 0.00 72.50 70.29 1cbi s THR 107 CO 0.25 0.06 0.82 -0.72 -0.54 0.00 0.00 174.62 174.49 1cbi s TYR 108 N -1.53 -0.43 0.07 3.99 -0.85 -1.02 -2.25 117.35 115.34 1cbi s TYR 108 Ca 0.32 0.41 -0.08 0.00 -0.52 0.00 0.00 57.07 57.20 1cbi s TYR 108 Cb -0.12 0.51 -0.00 0.00 0.38 0.00 0.00 41.96 42.73 1cbi s TYR 108 CO 0.25 -0.58 0.17 1.67 -1.52 0.00 0.00 175.55 175.53 1cbi s TRP 109 N -2.69 0.16 0.02 -3.49 1.48 -0.48 -0.89 118.94 113.06 1cbi s TRP 109 Ca 0.01 -0.54 -0.05 0.00 -1.06 0.00 0.00 56.10 54.45 1cbi s TRP 109 Cb -0.01 -0.08 -0.01 0.00 -1.16 0.00 0.00 33.47 32.21 1cbi s TRP 109 CO -0.06 -0.49 0.09 0.95 -4.06 0.00 0.00 176.95 173.38 1cbi s THR 110 N -3.48 0.11 -0.03 0.66 -4.23 -0.92 -0.31 115.64 107.43 1cbi s THR 110 Ca 0.02 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.66 1cbi s THR 110 Cb 0.03 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.26 1cbi s THR 110 CO -0.09 -0.50 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.25 1cbi s ARG 111 N -1.93 1.20 -0.06 3.99 0.52 0.10 -2.21 118.95 120.55 1cbi s ARG 111 Ca -0.11 -0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 54.68 1cbi s ARG 111 Cb -0.05 -1.09 0.02 0.00 0.52 0.00 0.00 34.95 34.36 1cbi s ARG 111 CO -0.01 0.14 0.14 -2.00 0.02 0.00 0.00 175.30 173.59 1cbi s GLU 112 N 0.17 0.13 -0.39 3.54 2.12 -0.98 -0.00 118.70 123.30 1cbi s GLU 112 Ca -0.04 0.28 -0.12 0.00 0.36 0.00 0.00 54.97 55.45 1cbi s GLU 112 Cb -0.10 -0.04 0.03 0.00 0.26 0.00 0.00 34.13 34.29 1cbi s GLU 112 CO 0.01 -0.09 0.23 -1.17 -0.54 0.00 0.00 175.26 173.70 1cbi s LEU 113 N 0.58 4.83 -0.03 2.70 2.96 -0.17 -0.84 118.68 128.71 1cbi s LEU 113 Ca -0.04 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 1cbi s LEU 113 Cb -0.06 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.61 1cbi s LEU 113 CO -0.03 -0.41 -0.00 0.00 -1.32 0.00 0.00 176.35 174.59 1cbi s ALA 114 N 1.57 0.37 -1.62 5.97 0.00 -0.42 -4.81 121.76 122.81 1cbi s ALA 114 Ca 0.02 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 1cbi s ALA 114 Cb -0.19 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1cbi s ALA 114 CO 0.07 -0.11 0.39 0.09 0.00 0.00 0.00 175.76 176.21 1cbi n ASN 115 N 4.24 -6.03 -1.57 0.00 3.02 -1.26 -1.61 115.26 112.05 1cbi n ASN 115 Ca -0.24 -0.19 -0.16 0.00 -0.03 0.00 0.00 54.58 53.95 1cbi n ASN 115 Cb 0.50 -4.91 -0.04 0.00 -0.61 0.00 0.00 39.78 34.72 1cbi n ASN 115 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1cbi n ASP 116 N -2.29 -4.88 -4.32 6.41 2.03 -1.26 -5.01 116.55 107.24 1cbi n ASP 116 Ca -0.16 0.18 -0.23 0.00 0.52 0.00 0.00 54.79 55.10 1cbi n ASP 116 Cb 0.64 -3.91 -0.12 0.00 -0.72 0.00 0.00 41.12 37.02 1cbi n ASP 116 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1cbi s GLU 117 N -4.14 1.24 -0.28 -0.67 2.02 -0.63 -4.47 118.70 111.76 1cbi s GLU 117 Ca 0.00 -1.34 -0.08 0.00 0.02 0.00 0.00 54.97 53.57 1cbi s GLU 117 Cb 0.00 -1.37 -0.02 0.00 0.10 0.00 0.00 34.13 32.84 1cbi s GLU 117 CO 0.00 0.29 0.11 -1.17 0.02 0.00 0.00 175.26 174.51 1cbi s LEU 118 N -2.43 3.80 -0.31 1.80 2.96 -0.64 -1.30 118.68 122.56 1cbi s LEU 118 Ca 0.13 -0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 1cbi s LEU 118 Cb -0.07 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.66 1cbi s LEU 118 CO 0.06 -0.12 0.12 -0.63 -1.32 0.00 0.00 176.35 174.46 1cbi s ILE 119 N 1.61 4.27 -0.15 6.68 1.01 -0.02 0.39 121.20 135.00 1cbi s ILE 119 Ca 0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 1cbi s ILE 119 Cb -0.16 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1cbi s ILE 119 CO 0.05 0.02 0.13 -0.22 0.00 0.00 0.00 174.94 174.92 1cbi s LEU 120 N 1.54 4.29 -0.04 2.97 0.20 0.42 -2.31 118.68 125.74 1cbi s LEU 120 Ca 0.03 0.37 0.03 0.00 0.69 0.00 0.00 54.13 55.25 1cbi s LEU 120 Cb -0.17 -2.07 0.00 0.00 -0.43 0.00 0.00 46.19 43.52 1cbi s LEU 120 CO 0.04 0.32 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.41 1cbi s THR 121 N -0.51 1.09 0.00 3.68 2.01 -0.94 -0.92 115.64 120.06 1cbi s THR 121 Ca 0.12 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.67 1cbi s THR 121 Cb -0.12 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1cbi s THR 121 CO 0.02 0.33 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.76 1cbi s PHE 122 N 0.31 2.63 -0.03 4.92 0.08 0.18 -2.17 117.98 123.90 1cbi s PHE 122 Ca -0.07 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 56.80 1cbi s PHE 122 Cb -0.12 -1.54 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 1cbi s PHE 122 CO 0.02 0.22 -0.12 0.20 -0.10 0.00 0.00 175.22 175.44 1cbi s GLY 123 N -1.13 0.67 -0.41 4.36 0.00 -0.06 -0.60 107.32 110.15 1cbi s GLY 123 Ca 0.13 -0.50 0.07 0.00 0.00 0.00 0.00 44.72 44.42 1cbi s GLY 123 CO 0.03 -0.26 0.50 0.00 0.00 0.00 0.00 173.10 173.37 1cbi n ALA 124 N 3.11 2.13 -0.20 3.20 0.00 -0.65 -2.43 120.51 125.65 1cbi n ALA 124 Ca -0.17 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.20 1cbi n ALA 124 Cb 0.54 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1cbi n ALA 124 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cbi n ASP 125 N 1.94 0.00 0.00 0.00 8.00 -0.89 -3.10 116.55 122.49 1cbi n ASP 125 Ca 0.23 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.86 1cbi n ASP 125 Cb 0.52 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 42.26 1cbi n ASP 125 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1cbi n ASP 126 N 7.93 0.00 -4.85 -2.24 5.68 -1.26 -4.78 116.55 117.02 1cbi n ASP 126 Ca 0.00 0.24 -0.37 0.00 -0.50 0.00 0.00 54.79 54.16 1cbi n ASP 126 Cb 0.00 -0.41 -0.06 0.00 -1.14 0.00 0.00 41.12 39.51 1cbi n ASP 126 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1cbi s VAL 127 N -2.82 5.19 -0.04 2.12 1.01 -1.18 -5.08 120.40 119.60 1cbi s VAL 127 Ca 0.19 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1cbi s VAL 127 Cb 0.18 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1cbi s VAL 127 CO 0.47 0.56 -0.05 -0.69 0.00 0.00 0.00 175.10 175.39 1cbi s VAL 128 N -1.10 0.59 -0.06 2.92 1.01 -1.26 -1.64 120.40 120.86 1cbi s VAL 128 Ca 0.22 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1cbi s VAL 128 Cb -0.15 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1cbi s VAL 128 CO 0.11 0.23 -0.14 0.00 0.00 0.00 0.00 175.10 175.30 1cbi s THR 130 N -0.62 0.72 -0.05 0.00 2.01 -0.70 0.50 115.64 117.50 1cbi s THR 130 Ca 0.09 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.28 1cbi s THR 130 Cb -0.11 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.74 1cbi s THR 130 CO 0.01 -0.04 0.20 0.00 -0.69 0.00 0.00 174.62 174.09 1cbi s ARG 131 N -0.86 0.32 -0.05 4.92 1.70 -0.10 -0.05 118.95 124.83 1cbi s ARG 131 Ca -0.01 0.10 0.03 0.00 -0.47 0.00 0.00 55.73 55.38 1cbi s ARG 131 Cb -0.06 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.44 1cbi s ARG 131 CO 0.00 -0.06 -0.13 0.42 -1.08 0.00 0.00 175.30 174.45 1cbi s ILE 132 N -0.33 3.15 0.08 4.99 1.01 0.05 -0.44 121.20 129.71 1cbi s ILE 132 Ca -0.04 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.01 1cbi s ILE 132 Cb -0.03 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1cbi s ILE 132 CO 0.01 0.59 -0.23 -0.31 0.00 0.00 0.00 174.94 175.00 1cbi s TYR 133 N -0.74 2.41 0.04 3.97 1.51 0.16 -0.09 117.35 124.61 1cbi s TYR 133 Ca 0.11 -0.35 0.07 0.00 -1.01 0.00 0.00 57.07 55.90 1cbi s TYR 133 Cb -0.11 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1cbi s TYR 133 CO 0.01 0.25 -0.20 0.54 -1.11 0.00 0.00 175.55 175.04 1cbi s VAL 134 N -0.95 1.61 0.26 0.71 0.11 0.69 -1.62 120.40 121.21 1cbi s VAL 134 Ca 0.14 -1.15 -0.30 0.00 -2.93 0.00 0.00 61.98 57.74 1cbi s VAL 134 Cb -0.10 -1.40 -0.11 0.00 -1.53 0.00 0.00 36.38 33.24 1cbi s VAL 134 CO 0.05 0.21 1.53 -0.13 -3.33 0.00 0.00 175.10 173.43 1cbi s ARG 135 N -1.10 4.19 0.00 1.54 0.52 -1.26 -0.83 118.95 122.01 1cbi s ARG 135 Ca 0.07 2.44 0.25 0.00 -0.52 0.00 0.00 55.73 57.97 1cbi s ARG 135 Cb -0.09 -3.07 0.37 0.00 0.52 0.00 0.00 34.95 32.68 1cbi s ARG 135 CO 0.01 -0.54 1.36 -1.91 0.02 0.00 0.00 175.30 174.25