#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntr n GLN 2 N 0.00 0.49 0.00 2.12 10.64 -1.26 -4.90 117.38 124.48 1ntr n GLN 2 Ca 0.00 0.18 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 1ntr n GLN 2 Cb 0.00 -1.69 0.00 0.00 -0.86 0.00 0.00 30.24 27.69 1ntr n GLN 2 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1ntr n ARG 3 N 1.83 0.00 -3.58 2.61 0.63 -1.26 -5.07 116.66 111.82 1ntr n ARG 3 Ca 0.19 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1ntr n ARG 3 Cb 0.14 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.01 1ntr n ARG 3 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ntr s GLY 4 N 0.00 -0.59 -0.32 5.14 0.00 -1.26 -5.01 107.32 105.28 1ntr s GLY 4 Ca 0.00 2.53 -0.11 0.00 0.00 0.00 0.00 44.72 47.14 1ntr s GLY 4 CO 0.00 3.12 0.18 -0.42 0.00 0.00 0.00 173.10 175.98 1ntr s ILE 5 N 2.78 4.89 -0.24 0.90 -1.09 -1.26 -2.13 121.20 125.04 1ntr s ILE 5 Ca -0.05 -0.29 0.02 0.00 -2.23 0.00 0.00 60.65 58.10 1ntr s ILE 5 Cb -0.10 -3.47 0.06 0.00 -1.58 0.00 0.00 42.46 37.36 1ntr s ILE 5 CO -0.19 0.07 -0.07 -0.69 -1.23 0.00 0.00 174.94 172.83 1ntr s VAL 6 N 1.66 1.76 -0.86 2.92 1.01 -1.00 -1.33 120.40 124.56 1ntr s VAL 6 Ca 0.05 -1.38 -0.14 0.00 0.00 0.00 0.00 61.98 60.52 1ntr s VAL 6 Cb -0.17 -1.97 0.22 0.00 0.00 0.00 0.00 36.38 34.46 1ntr s VAL 6 CO 0.08 -0.08 0.83 0.26 0.00 0.00 0.00 175.10 176.19 1ntr s TRP 7 N 1.29 3.76 0.35 5.22 0.52 -0.84 -1.96 118.94 127.27 1ntr s TRP 7 Ca -0.07 -2.01 -0.27 0.00 0.02 0.00 0.00 56.10 53.77 1ntr s TRP 7 Cb -0.19 -3.86 -0.09 0.00 -1.15 0.00 0.00 33.47 28.18 1ntr s TRP 7 CO -0.06 -1.03 1.11 0.08 0.02 0.00 0.00 176.95 177.08 1ntr s VAL 8 N 0.24 3.43 -0.57 4.03 1.01 0.44 -2.64 120.40 126.34 1ntr s VAL 8 Ca 0.20 1.28 -0.20 0.00 0.00 0.00 0.00 61.98 63.26 1ntr s VAL 8 Cb -0.10 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.61 1ntr s VAL 8 CO -0.09 0.19 0.74 -0.69 0.00 0.00 0.00 175.10 175.25 1ntr s VAL 9 N -1.36 4.72 0.39 2.92 1.01 -0.31 -1.47 120.40 126.29 1ntr s VAL 9 Ca 0.51 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1ntr s VAL 9 Cb -0.29 -4.46 0.09 0.00 0.00 0.00 0.00 36.38 31.71 1ntr s VAL 9 CO 0.37 -1.07 0.20 0.47 0.00 0.00 0.00 175.10 175.07 1ntr n ASP 10 N 6.61 -2.10 0.00 3.32 8.00 -0.12 -2.58 116.55 129.68 1ntr n ASP 10 Ca -0.07 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1ntr n ASP 10 Cb 0.44 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1ntr n ASP 10 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ntr n ASP 11 N -2.45 0.05 0.00 -2.24 5.75 -1.25 -4.45 116.55 111.96 1ntr n ASP 11 Ca 0.03 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.37 1ntr n ASP 11 Cb 0.14 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1ntr n ASP 11 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ntr n ASP 12 N -0.08 0.00 -1.30 -1.12 8.00 -1.26 -4.52 116.55 116.28 1ntr n ASP 12 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1ntr n ASP 12 Cb 0.09 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.14 1ntr n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ntr n SER 13 N 0.00 -6.08 0.00 -2.24 3.41 -1.26 -4.66 113.62 102.78 1ntr n SER 13 Ca 0.00 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 1ntr n SER 13 Cb 0.00 -4.20 0.00 0.00 -0.26 0.00 0.00 64.21 59.75 1ntr n SER 13 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ntr n SER 14 N -3.56 0.00 0.03 4.04 7.64 -1.26 -4.76 113.62 115.75 1ntr n SER 14 Ca -0.05 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.72 1ntr n SER 14 Cb 0.47 -0.39 -0.13 0.00 -1.01 0.00 0.00 64.21 63.14 1ntr n SER 14 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ntr h ILE 15 N 0.00 1.18 -0.39 0.44 1.08 -1.96 -3.17 117.51 114.70 1ntr h ILE 15 Ca 0.00 -2.92 -0.01 0.00 -0.39 0.00 0.00 64.86 61.53 1ntr h ILE 15 Cb 0.00 2.65 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 1ntr h ILE 15 CO 0.00 0.74 0.19 -0.09 -0.69 0.00 0.00 178.15 178.30 1ntr h ARG 16 N 0.02 0.56 0.85 2.37 2.43 -1.86 -2.84 114.38 115.90 1ntr h ARG 16 Ca -0.20 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 58.85 1ntr h ARG 16 Cb 1.95 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 1ntr h ARG 16 CO 0.12 0.49 -0.47 2.35 -1.51 0.00 0.00 179.97 180.95 1ntr h TRP 17 N 0.49 -1.25 0.00 2.20 7.01 -1.96 -1.04 115.95 121.39 1ntr h TRP 17 Ca 0.13 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1ntr h TRP 17 Cb 0.12 0.43 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1ntr h TRP 17 CO -0.01 -0.73 0.00 0.28 -2.79 0.00 0.00 178.44 175.19 1ntr n VAL 18 N -5.48 0.00 0.00 2.65 0.31 -1.17 -0.54 118.33 114.10 1ntr n VAL 18 Ca -0.15 1.42 0.00 0.00 -0.01 0.00 0.00 64.34 65.60 1ntr n VAL 18 Cb 0.50 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1ntr n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ntr n LEU 19 N -2.88 0.00 -0.57 7.52 4.77 -1.08 -2.24 117.00 122.53 1ntr n LEU 19 Ca 0.00 0.86 0.43 0.00 -0.03 0.00 0.00 56.01 57.27 1ntr n LEU 19 Cb 0.00 -0.36 0.65 0.00 -2.33 0.00 0.00 43.42 41.38 1ntr n LEU 19 CO 0.00 -0.36 1.18 1.21 -1.33 0.00 0.00 177.39 178.09 1ntr n GLU 20 N -1.70 -0.00 0.21 3.23 2.13 -0.40 0.11 120.64 124.23 1ntr n GLU 20 Ca 0.00 0.86 -0.14 0.00 0.66 0.00 0.00 57.16 58.55 1ntr n GLU 20 Cb 0.00 -1.99 -0.08 0.00 0.27 0.00 0.00 31.44 29.64 1ntr n GLU 20 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1ntr h ARG 21 N 0.00 -0.54 0.00 5.31 9.65 -0.36 0.21 114.38 128.66 1ntr h ARG 21 Ca 0.75 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.67 1ntr h ARG 21 Cb 3.01 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 31.71 1ntr h ARG 21 CO -0.01 -0.23 0.00 0.00 2.80 0.00 0.00 179.97 182.53 1ntr n ALA 22 N -2.53 1.97 0.70 2.80 0.00 0.31 -1.95 120.51 121.82 1ntr n ALA 22 Ca -0.10 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.33 1ntr n ALA 22 Cb 0.29 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 1ntr n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ntr n LEU 23 N -1.22 0.70 0.01 0.00 7.99 -0.31 -4.20 117.00 119.97 1ntr n LEU 23 Ca 0.09 -0.43 -0.18 0.00 -0.01 0.00 0.00 56.01 55.48 1ntr n LEU 23 Cb 0.12 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.32 1ntr n LEU 23 CO 0.12 0.18 0.23 0.00 -1.51 0.00 0.00 177.39 176.41 1ntr h ALA 24 N 2.33 0.08 0.00 -1.18 0.00 0.09 -2.33 119.26 118.24 1ntr h ALA 24 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ntr h ALA 24 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ntr h ALA 24 CO 0.00 0.38 0.00 0.78 0.00 0.00 0.00 179.25 180.41 1ntr h GLY 25 N -0.07 0.00 1.53 0.00 0.00 -1.77 -0.60 103.07 102.16 1ntr h GLY 25 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ntr h GLY 25 CO 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 176.54 176.21 1ntr h ALA 26 N 2.01 0.76 -3.90 3.60 0.00 -1.69 -3.48 119.26 116.57 1ntr h ALA 26 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1ntr h ALA 26 Cb 0.32 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.20 1ntr h ALA 26 CO 0.00 0.00 -0.40 0.41 0.00 0.00 0.00 179.25 179.26 1ntr n GLY 27 N 1.16 0.02 3.68 0.00 0.00 -0.23 -4.95 105.19 104.87 1ntr n GLY 27 Ca 0.02 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1ntr n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ntr s LEU 28 N -4.27 2.15 -1.17 0.99 1.43 -1.09 -4.60 118.68 112.14 1ntr s LEU 28 Ca 0.00 -1.69 -0.05 0.00 -1.03 0.00 0.00 54.13 51.36 1ntr s LEU 28 Cb -0.00 -0.48 0.24 0.00 0.03 0.00 0.00 46.19 45.98 1ntr s LEU 28 CO 0.38 -0.92 1.77 0.41 0.23 0.00 0.00 176.35 178.23 1ntr n THR 29 N -1.16 5.14 -2.55 5.49 -1.04 -0.91 -4.86 114.28 114.40 1ntr n THR 29 Ca -0.15 -5.27 -0.42 0.00 -2.04 0.00 0.00 64.05 56.17 1ntr n THR 29 Cb 0.66 -2.08 -0.01 0.00 -1.82 0.00 0.00 70.33 67.08 1ntr n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ntr s THR 31 N 4.72 5.14 -0.06 0.00 2.01 -0.83 -4.54 115.64 122.08 1ntr s THR 31 Ca 0.52 0.50 -0.02 0.00 0.31 0.00 0.00 61.69 63.00 1ntr s THR 31 Cb 0.02 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.93 1ntr s THR 31 CO 0.02 0.40 0.04 0.42 -0.69 0.00 0.00 174.62 174.81 1ntr s THR 32 N -1.27 0.04 0.00 -0.82 -4.23 -1.26 -0.42 115.64 107.67 1ntr s THR 32 Ca 0.28 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1ntr s THR 32 Cb -0.14 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1ntr s THR 32 CO 0.15 0.18 0.00 0.49 -0.54 0.00 0.00 174.62 174.90 1ntr n PHE 33 N 5.25 0.00 -0.01 3.99 3.01 -0.54 -4.72 117.46 124.44 1ntr n PHE 33 Ca -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.40 1ntr n PHE 33 Cb 0.50 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.96 1ntr n PHE 33 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1ntr n GLU 34 N 0.00 1.03 -4.27 -1.08 0.00 -1.26 -0.95 120.64 114.10 1ntr n GLU 34 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 57.16 56.98 1ntr n GLU 34 Cb 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 31.44 30.27 1ntr n GLU 34 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1ntr s ASN 35 N -3.94 1.53 0.30 -1.84 0.01 -1.26 -3.83 114.94 105.90 1ntr s ASN 35 Ca -0.02 -0.48 0.04 0.00 -0.71 0.00 0.00 52.86 51.68 1ntr s ASN 35 Cb 0.01 -0.08 0.66 0.00 0.41 0.00 0.00 41.25 42.25 1ntr s ASN 35 CO 0.05 -0.01 1.81 1.23 -1.51 0.00 0.00 177.10 178.67 1ntr h GLY 36 N 4.80 1.67 0.00 0.66 0.00 -1.84 -2.37 103.07 105.99 1ntr h GLY 36 Ca -0.38 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1ntr h GLY 36 CO 0.43 0.06 0.00 0.70 0.00 0.00 0.00 176.54 177.73 1ntr n ASN 37 N -4.67 0.00 -0.27 0.19 3.02 -1.26 -1.04 115.26 111.22 1ntr n ASN 37 Ca 0.21 0.27 0.08 0.00 -0.03 0.00 0.00 54.58 55.11 1ntr n ASN 37 Cb 0.46 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.80 1ntr n ASN 37 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ntr n GLU 38 N -0.44 -0.06 0.00 3.52 1.02 -1.17 -1.12 120.64 122.39 1ntr n GLU 38 Ca 0.00 1.16 0.00 0.00 -0.02 0.00 0.00 57.16 58.30 1ntr n GLU 38 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 1ntr n GLU 38 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ntr n VAL 39 N -5.13 0.00 0.31 2.62 0.31 -0.88 -0.63 118.33 114.93 1ntr n VAL 39 Ca 0.15 1.47 0.17 0.00 -0.01 0.00 0.00 64.34 66.12 1ntr n VAL 39 Cb 0.49 -2.23 0.86 0.00 -0.91 0.00 0.00 33.84 32.05 1ntr n VAL 39 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ntr h LEU 40 N 0.00 0.00 -0.39 7.52 7.12 0.33 0.30 115.31 130.20 1ntr h LEU 40 Ca 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.89 1ntr h LEU 40 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1ntr h LEU 40 CO 0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 178.44 178.08 1ntr h ALA 41 N 1.44 0.55 0.00 1.25 0.00 0.73 -2.61 119.26 120.62 1ntr h ALA 41 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ntr h ALA 41 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ntr h ALA 41 CO -0.00 0.54 -0.28 0.00 0.00 0.00 0.00 179.25 179.50 1ntr h ALA 42 N 0.80 0.82 -0.01 0.00 0.00 0.97 -3.17 119.26 118.68 1ntr h ALA 42 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ntr h ALA 42 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ntr h ALA 42 CO 0.07 0.00 -0.02 1.28 0.00 0.00 0.00 179.25 180.58 1ntr n LEU 43 N -2.32 0.58 0.32 0.00 4.77 -0.02 -3.74 117.00 116.60 1ntr n LEU 43 Ca 0.04 -0.16 0.16 0.00 -0.03 0.00 0.00 56.01 56.02 1ntr n LEU 43 Cb 0.45 -0.03 0.88 0.00 -2.33 0.00 0.00 43.42 42.39 1ntr n LEU 43 CO 0.33 0.10 1.12 0.00 -1.33 0.00 0.00 177.39 177.61 1ntr h ALA 44 N 4.05 1.24 0.00 -1.18 0.00 -1.46 0.42 119.26 122.34 1ntr h ALA 44 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1ntr h ALA 44 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1ntr h ALA 44 CO 0.00 -0.24 -1.45 0.77 0.00 0.00 0.00 179.25 178.33 1ntr h SER 45 N 0.00 0.00 -1.47 0.00 0.02 -1.86 -3.49 113.55 106.75 1ntr h SER 45 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ntr h SER 45 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1ntr h SER 45 CO 0.00 0.78 0.00 0.29 -1.14 0.00 0.00 176.83 176.76 1ntr n LYS 46 N -3.01 0.00 0.00 3.45 5.02 0.15 -5.10 118.16 118.67 1ntr n LYS 46 Ca -0.11 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1ntr n LYS 46 Cb 0.93 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 1ntr n LYS 46 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ntr n THR 47 N -0.50 0.00 -1.50 -0.18 -2.24 -1.26 -4.96 114.28 103.64 1ntr n THR 47 Ca 0.00 0.00 -0.58 0.00 -2.27 0.00 0.00 64.05 61.20 1ntr n THR 47 Cb 0.24 -0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 67.98 1ntr n THR 47 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ntr n PRO 48 N 0.00 0.08 0.19 -0.78 -0.04 -1.26 -4.81 135.00 128.37 1ntr n PRO 48 Ca 0.00 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 1ntr n PRO 48 Cb 0.00 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.22 1ntr n PRO 48 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ntr h ASP 49 N 2.93 0.00 -3.35 3.54 3.32 -1.58 -3.43 116.42 117.85 1ntr h ASP 49 Ca -0.49 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.17 1ntr h ASP 49 Cb 1.42 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.61 1ntr h ASP 49 CO 0.65 0.30 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.02 1ntr s VAL 50 N -3.33 0.24 -0.17 -1.35 1.01 -0.92 -4.10 120.40 111.78 1ntr s VAL 50 Ca 0.03 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1ntr s VAL 50 Cb 0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1ntr s VAL 50 CO 0.68 0.21 0.09 -0.76 0.00 0.00 0.00 175.10 175.32 1ntr s LEU 51 N 1.66 4.03 0.34 3.92 2.01 -1.06 -1.99 118.68 127.58 1ntr s LEU 51 Ca -0.00 0.20 0.07 0.00 0.01 0.00 0.00 54.13 54.41 1ntr s LEU 51 Cb -0.13 -2.01 -0.02 0.00 0.01 0.00 0.00 46.19 44.04 1ntr s LEU 51 CO -0.03 0.23 0.34 -0.76 1.01 0.00 0.00 176.35 177.14 1ntr s LEU 52 N 0.05 3.68 -0.19 1.79 1.43 -1.08 -0.93 118.68 123.43 1ntr s LEU 52 Ca 0.07 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1ntr s LEU 52 Cb -0.12 -2.34 0.08 0.00 0.03 0.00 0.00 46.19 43.84 1ntr s LEU 52 CO 0.00 -0.39 0.15 -0.44 0.23 0.00 0.00 176.35 175.91 1ntr s SER 53 N -4.05 1.88 0.78 2.29 0.01 -0.25 -1.17 113.70 113.20 1ntr s SER 53 Ca 0.42 -0.43 -0.11 0.00 1.31 0.00 0.00 55.95 57.15 1ntr s SER 53 Cb -0.07 0.06 0.07 0.00 0.21 0.00 0.00 66.02 66.30 1ntr s SER 53 CO 0.28 -0.34 1.14 -1.81 0.41 0.00 0.00 173.24 172.91 1ntr s ASP 54 N 2.23 4.59 -0.35 2.44 1.11 -1.07 -2.52 116.67 123.10 1ntr s ASP 54 Ca 0.04 0.70 0.00 0.00 0.18 0.00 0.00 52.55 53.47 1ntr s ASP 54 Cb -0.16 -1.23 0.11 0.00 1.07 0.00 0.00 42.92 42.71 1ntr s ASP 54 CO -0.11 -1.83 0.13 -0.51 1.18 0.00 0.00 175.17 174.04 1ntr s ILE 55 N -3.49 1.14 -0.35 0.77 1.10 -1.26 -2.90 121.20 116.22 1ntr s ILE 55 Ca 0.61 -1.81 -0.03 0.00 -0.51 0.00 0.00 60.65 58.91 1ntr s ILE 55 Cb -0.11 -1.84 0.25 0.00 0.15 0.00 0.00 42.46 40.91 1ntr s ILE 55 CO 0.48 -0.74 1.16 -1.14 -2.11 0.00 0.00 174.94 172.59 1ntr n ARG 56 N 4.42 0.15 -4.34 3.50 0.00 -0.12 -4.93 116.66 115.34 1ntr n ARG 56 Ca 0.02 -0.80 -0.18 0.00 -0.00 0.00 0.00 57.85 56.89 1ntr n ARG 56 Cb 0.40 -0.18 -0.10 0.00 0.00 0.00 0.00 32.46 32.58 1ntr n ARG 56 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1ntr s MET 57 N 0.47 1.51 -0.02 -0.14 -1.94 -1.24 -4.56 119.30 113.38 1ntr s MET 57 Ca 0.25 -1.84 -0.07 0.00 -1.71 0.00 0.00 55.69 52.32 1ntr s MET 57 Cb 0.17 -0.28 -0.05 0.00 2.01 0.00 0.00 34.83 36.69 1ntr s MET 57 CO -0.10 -0.34 0.26 -1.25 -0.01 0.00 0.00 175.02 173.58 1ntr s PRO 58 N -3.95 3.58 0.00 2.03 0.04 -1.26 -4.67 135.00 130.78 1ntr s PRO 58 Ca 0.36 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1ntr s PRO 58 Cb 0.07 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1ntr s PRO 58 CO 0.15 0.68 0.00 0.41 0.04 0.00 0.00 177.00 178.27 1ntr n GLY 59 N 1.32 -1.08 3.60 0.56 0.00 -1.26 -4.92 105.19 103.41 1ntr n GLY 59 Ca -0.13 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 1ntr n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ntr n MET 60 N -0.20 1.96 0.00 1.61 1.56 -1.26 -4.66 117.12 116.13 1ntr n MET 60 Ca 0.00 0.53 0.00 0.00 -0.27 0.00 0.00 57.70 57.96 1ntr n MET 60 Cb 0.00 -3.25 0.00 0.00 2.15 0.00 0.00 33.22 32.12 1ntr n MET 60 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1ntr n ASP 61 N 11.78 -1.85 0.00 6.12 9.92 -1.26 -4.92 116.55 136.34 1ntr n ASP 61 Ca 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1ntr n ASP 61 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1ntr n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ntr n GLY 62 N 0.00 0.00 2.78 0.44 0.00 -1.26 -4.54 105.19 102.60 1ntr n GLY 62 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ntr n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ntr n LEU 63 N 0.00 6.25 0.00 0.99 7.94 -1.26 -0.95 117.00 129.97 1ntr n LEU 63 Ca 0.00 -5.38 0.00 0.00 -1.11 0.00 0.00 56.01 49.52 1ntr n LEU 63 Cb 0.00 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 42.89 1ntr n LEU 63 CO 0.00 1.98 0.00 0.00 -1.11 0.00 0.00 177.39 178.26 1ntr n ALA 64 N 0.48 0.00 -3.36 1.96 0.00 -1.14 -3.98 120.51 114.46 1ntr n ALA 64 Ca 0.36 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.54 1ntr n ALA 64 Cb 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 1ntr n ALA 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ntr n LEU 65 N 0.00 2.33 0.19 0.00 7.94 -1.26 -4.66 117.00 121.55 1ntr n LEU 65 Ca 0.00 -5.13 -0.09 0.00 -1.11 0.00 0.00 56.01 49.67 1ntr n LEU 65 Cb 0.00 -0.17 -0.04 0.00 0.53 0.00 0.00 43.42 43.73 1ntr n LEU 65 CO 0.00 2.04 0.24 0.17 -1.11 0.00 0.00 177.39 178.73 1ntr h LEU 66 N 4.22 -0.48 -1.83 -1.96 -0.00 -1.95 -1.60 115.31 111.72 1ntr h LEU 66 Ca 0.15 -0.00 0.37 0.00 -0.00 0.00 0.00 57.88 58.40 1ntr h LEU 66 Cb 0.75 0.12 -0.07 0.00 -0.00 0.00 0.00 40.66 41.47 1ntr h LEU 66 CO 0.68 -0.05 0.90 0.07 -0.00 0.00 0.00 178.44 180.05 1ntr h LYS 67 N -1.14 0.08 0.50 0.17 -0.00 -1.92 0.55 116.57 114.81 1ntr h LYS 67 Ca -0.06 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.56 1ntr h LYS 67 Cb 0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 32.67 1ntr h LYS 67 CO 0.10 0.05 -0.24 0.37 -0.00 0.00 0.00 179.45 179.72 1ntr h GLN 68 N 0.08 -0.65 -0.48 0.07 5.75 -1.92 -2.84 115.11 115.11 1ntr h GLN 68 Ca 0.65 0.04 0.04 0.00 -0.15 0.00 0.00 58.65 59.23 1ntr h GLN 68 Cb 2.37 0.15 -0.06 0.00 1.07 0.00 0.00 27.48 31.01 1ntr h GLN 68 CO -0.10 -0.34 -0.29 -0.89 -2.65 0.00 0.00 178.83 174.56 1ntr n ILE 69 N -5.26 -0.33 -0.16 2.39 5.41 0.19 -1.11 119.36 120.49 1ntr n ILE 69 Ca -0.10 1.85 -0.07 0.00 1.00 0.00 0.00 62.75 65.43 1ntr n ILE 69 Cb 0.31 -2.35 -0.05 0.00 -0.71 0.00 0.00 39.64 36.84 1ntr n ILE 69 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1ntr h LYS 70 N 0.00 -0.10 -0.70 0.38 1.79 -1.48 0.68 116.57 117.14 1ntr h LYS 70 Ca 0.08 0.01 0.24 0.00 -2.18 0.00 0.00 60.65 58.80 1ntr h LYS 70 Cb 0.20 0.02 -0.13 0.00 -1.58 0.00 0.00 32.23 30.74 1ntr h LYS 70 CO -0.46 -0.07 0.19 0.94 -1.08 0.00 0.00 179.45 178.98 1ntr n GLN 71 N -4.18 -0.05 -3.16 3.15 -0.06 -0.27 -1.62 117.38 111.19 1ntr n GLN 71 Ca -0.00 1.01 -0.19 0.00 -2.00 0.00 0.00 57.00 55.82 1ntr n GLN 71 Cb 0.16 -1.71 -0.03 0.00 -4.06 0.00 0.00 30.24 24.60 1ntr n GLN 71 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1ntr n ARG 72 N -4.77 1.22 -3.66 3.69 1.74 0.77 -5.07 116.66 110.58 1ntr n ARG 72 Ca 0.22 -3.54 -0.09 0.00 -0.77 0.00 0.00 57.85 53.66 1ntr n ARG 72 Cb 0.72 -1.75 -0.08 0.00 -1.02 0.00 0.00 32.46 30.33 1ntr n ARG 72 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ntr s HIS 73 N -2.48 -0.86 0.11 -1.55 2.46 0.20 -4.86 115.29 108.31 1ntr s HIS 73 Ca 0.41 1.79 -0.02 0.00 0.47 0.00 0.00 55.06 57.71 1ntr s HIS 73 Cb 0.33 0.46 0.02 0.00 -0.13 0.00 0.00 32.58 33.27 1ntr s HIS 73 CO -0.09 -0.44 0.05 -0.35 -2.47 0.00 0.00 174.74 171.44 1ntr n PRO 74 N 4.12 -0.66 -1.62 2.88 -0.04 -1.26 -4.63 135.00 133.79 1ntr n PRO 74 Ca -0.20 -0.09 -0.33 0.00 -0.04 0.00 0.00 63.50 62.84 1ntr n PRO 74 Cb 0.57 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1ntr n PRO 74 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ntr n MET 75 N -1.36 2.54 -3.20 0.54 2.81 -1.26 -4.90 117.12 112.28 1ntr n MET 75 Ca 0.01 -2.89 -0.40 0.00 -1.81 0.00 0.00 57.70 52.61 1ntr n MET 75 Cb 0.04 -2.18 -0.07 0.00 -0.71 0.00 0.00 33.22 30.30 1ntr n MET 75 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 1ntr s LEU 76 N -3.14 4.11 0.30 4.03 0.05 -1.26 -4.97 118.68 117.80 1ntr s LEU 76 Ca 0.55 0.67 -0.15 0.00 0.05 0.00 0.00 54.13 55.24 1ntr s LEU 76 Cb 0.41 -2.75 -0.11 0.00 -2.05 0.00 0.00 46.19 41.69 1ntr s LEU 76 CO -0.27 -0.25 0.04 -0.81 -0.55 0.00 0.00 176.35 174.51 1ntr n PRO 77 N 5.15 0.00 -3.99 1.48 -0.04 -1.26 -4.60 135.00 131.75 1ntr n PRO 77 Ca -0.03 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.20 1ntr n PRO 77 Cb 0.50 -0.72 -0.17 0.00 -0.04 0.00 0.00 33.50 33.07 1ntr n PRO 77 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ntr s VAL 78 N -1.23 0.58 -0.04 0.52 -7.23 -0.97 -2.57 120.40 109.46 1ntr s VAL 78 Ca 0.42 -0.07 -0.20 0.00 -1.81 0.00 0.00 61.98 60.32 1ntr s VAL 78 Cb -0.44 -0.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 1ntr s VAL 78 CO 0.45 0.27 0.59 -0.51 -0.31 0.00 0.00 175.10 175.59 1ntr s ILE 79 N 1.45 4.99 -0.01 -0.62 -1.16 -0.11 -2.82 121.20 122.92 1ntr s ILE 79 Ca -0.02 1.21 0.08 0.00 -0.51 0.00 0.00 60.65 61.41 1ntr s ILE 79 Cb -0.13 -3.92 -0.02 0.00 0.61 0.00 0.00 42.46 38.99 1ntr s ILE 79 CO -0.03 0.38 -0.25 -0.51 -2.81 0.00 0.00 174.94 171.72 1ntr s ILE 80 N 0.11 2.18 -0.30 2.00 1.10 -1.06 -1.09 121.20 124.14 1ntr s ILE 80 Ca 0.31 -1.11 -0.06 0.00 -0.51 0.00 0.00 60.65 59.28 1ntr s ILE 80 Cb -0.17 -1.77 0.02 0.00 0.15 0.00 0.00 42.46 40.68 1ntr s ILE 80 CO 0.16 0.55 0.07 -0.32 -2.11 0.00 0.00 174.94 173.29 1ntr s MET 81 N -0.72 2.94 -0.69 3.50 1.75 -1.05 -1.43 119.30 123.60 1ntr s MET 81 Ca 0.10 -0.95 -0.08 0.00 -1.25 0.00 0.00 55.69 53.51 1ntr s MET 81 Cb -0.10 -3.34 0.01 0.00 2.84 0.00 0.00 34.83 34.24 1ntr s MET 81 CO -0.00 -0.49 0.65 2.41 -0.65 0.00 0.00 175.02 176.93 1ntr n THR 82 N 4.82 -6.88 -2.76 10.11 -1.04 -0.69 -4.04 114.28 113.79 1ntr n THR 82 Ca -0.14 0.05 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 1ntr n THR 82 Cb 0.47 -5.02 0.02 0.00 -1.82 0.00 0.00 70.33 63.98 1ntr n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ntr s ALA 83 N -2.72 3.62 0.00 2.41 0.00 -1.26 -4.68 121.76 119.13 1ntr s ALA 83 Ca 0.09 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1ntr s ALA 83 Cb -0.02 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1ntr s ALA 83 CO 0.83 -0.55 0.00 1.58 0.00 0.00 0.00 175.76 177.61 1ntr n HIS 84 N -2.27 0.00 -4.43 0.00 -0.00 -1.26 -4.83 115.22 102.42 1ntr n HIS 84 Ca 0.03 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.84 1ntr n HIS 84 Cb 0.58 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.36 1ntr n HIS 84 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1ntr n SER 85 N -0.15 -0.57 -1.17 0.26 7.64 -1.26 -2.30 113.62 116.08 1ntr n SER 85 Ca 0.00 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1ntr n SER 85 Cb 0.00 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 61.57 1ntr n SER 85 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ntr n ASP 86 N -2.66 -6.63 -0.52 6.43 -0.08 -1.26 -3.12 116.55 108.70 1ntr n ASP 86 Ca -0.09 0.86 0.40 0.00 -1.51 0.00 0.00 54.79 54.45 1ntr n ASP 86 Cb 0.57 -2.89 0.62 0.00 2.34 0.00 0.00 41.12 41.75 1ntr n ASP 86 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1ntr n LEU 87 N -0.12 0.02 -0.10 -2.67 4.77 -1.23 -0.88 117.00 116.80 1ntr n LEU 87 Ca 0.00 0.79 -0.03 0.00 -0.03 0.00 0.00 56.01 56.75 1ntr n LEU 87 Cb 0.00 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1ntr n LEU 87 CO 0.00 -0.80 0.39 -0.67 -1.33 0.00 0.00 177.39 174.97 1ntr n ASP 88 N -3.55 -0.25 0.21 -1.43 2.03 -1.26 0.19 116.55 112.50 1ntr n ASP 88 Ca 0.34 0.97 0.09 0.00 0.52 0.00 0.00 54.79 56.70 1ntr n ASP 88 Cb 1.51 -0.33 0.40 0.00 -0.72 0.00 0.00 41.12 41.98 1ntr n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ntr h ALA 89 N -0.44 0.99 -1.85 -1.67 0.00 -0.95 -3.35 119.26 112.00 1ntr h ALA 89 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ntr h ALA 89 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ntr h ALA 89 CO -0.22 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1ntr n ALA 90 N -2.23 -0.08 0.00 0.00 0.00 0.46 -4.06 120.51 114.59 1ntr n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ntr n ALA 90 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1ntr n ALA 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ntr n VAL 91 N -1.07 0.00 -1.29 0.00 0.31 0.51 -4.22 118.33 112.57 1ntr n VAL 91 Ca 0.00 0.00 -0.57 0.00 -0.01 0.00 0.00 64.34 63.76 1ntr n VAL 91 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 1ntr n VAL 91 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ntr n SER 92 N -2.25 0.75 0.00 4.52 2.88 -1.26 -4.03 113.62 114.23 1ntr n SER 92 Ca 0.00 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1ntr n SER 92 Cb 0.00 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1ntr n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ntr n ALA 93 N 7.95 0.00 0.71 -1.46 0.00 -1.26 -4.23 120.51 122.23 1ntr n ALA 93 Ca 0.56 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.11 1ntr n ALA 93 Cb -0.02 0.00 0.47 0.00 0.00 0.00 0.00 19.45 19.90 1ntr n ALA 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ntr n TYR 94 N 0.00 0.23 -2.46 0.00 4.01 -1.26 -3.92 117.16 113.77 1ntr n TYR 94 Ca 0.00 0.08 -0.42 0.00 -0.16 0.00 0.00 57.90 57.39 1ntr n TYR 94 Cb 0.00 -0.62 -0.02 0.00 -0.31 0.00 0.00 39.34 38.38 1ntr n TYR 94 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1ntr s GLN 95 N -3.05 3.49 -1.36 -0.72 -0.21 -1.26 -3.69 119.66 112.86 1ntr s GLN 95 Ca 0.10 0.56 -0.06 0.00 0.02 0.00 0.00 55.36 55.99 1ntr s GLN 95 Cb 0.14 -4.04 0.03 0.00 1.00 0.00 0.00 33.01 30.14 1ntr s GLN 95 CO 0.44 -1.69 0.91 0.94 -2.12 0.00 0.00 175.29 173.77 1ntr n GLN 96 N 8.32 -5.90 0.00 2.91 -0.06 -1.26 -4.60 117.38 116.79 1ntr n GLN 96 Ca 0.13 0.69 0.00 0.00 -2.00 0.00 0.00 57.00 55.81 1ntr n GLN 96 Cb 0.49 -5.50 0.00 0.00 -4.06 0.00 0.00 30.24 21.17 1ntr n GLN 96 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ntr n GLY 97 N -1.61 2.53 5.74 1.69 0.00 -1.24 -4.67 105.19 107.63 1ntr n GLY 97 Ca -0.15 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ntr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ntr n ALA 98 N 9.76 0.00 -0.63 4.61 0.00 -1.26 -4.54 120.51 128.45 1ntr n ALA 98 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1ntr n ALA 98 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1ntr n ALA 98 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ntr s PHE 99 N 0.00 1.13 -0.27 0.00 0.40 -1.26 -2.28 117.98 115.69 1ntr s PHE 99 Ca 0.00 1.00 -0.20 0.00 -0.60 0.00 0.00 56.93 57.13 1ntr s PHE 99 Cb 0.00 -3.10 0.08 0.00 0.51 0.00 0.00 43.02 40.50 1ntr s PHE 99 CO 0.00 -3.95 0.70 -0.51 0.70 0.00 0.00 175.22 172.15 1ntr s ASP 100 N -2.80 -0.85 -0.76 1.36 1.01 -1.13 -4.47 116.67 109.03 1ntr s ASP 100 Ca 0.68 1.48 -0.19 0.00 0.71 0.00 0.00 52.55 55.23 1ntr s ASP 100 Cb -0.22 1.42 0.12 0.00 1.01 0.00 0.00 42.92 45.25 1ntr s ASP 100 CO 0.62 -0.24 0.92 -0.47 0.21 0.00 0.00 175.17 176.21 1ntr s TYR 101 N 1.07 3.06 -0.17 4.23 5.04 -1.26 -2.55 117.35 126.76 1ntr s TYR 101 Ca -0.05 -1.15 -0.08 0.00 -2.44 0.00 0.00 57.07 53.34 1ntr s TYR 101 Cb -0.05 -4.15 -0.04 0.00 0.35 0.00 0.00 41.96 38.06 1ntr s TYR 101 CO -0.10 -1.41 0.11 -1.17 -1.34 0.00 0.00 175.55 171.64 1ntr s LEU 102 N 2.69 4.12 0.00 6.97 2.96 -0.51 -4.99 118.68 129.91 1ntr s LEU 102 Ca 0.22 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1ntr s LEU 102 Cb -0.14 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.51 1ntr s LEU 102 CO -0.00 0.24 0.00 -0.81 -1.32 0.00 0.00 176.35 174.45 1ntr n PRO 103 N 3.13 3.43 -4.42 0.98 -0.04 -1.26 -1.71 135.00 135.11 1ntr n PRO 103 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 1ntr n PRO 103 Cb 0.53 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.89 1ntr n PRO 103 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ntr s LYS 104 N 0.58 1.85 0.81 0.54 1.02 -1.26 -4.36 119.74 118.91 1ntr s LYS 104 Ca 0.00 -1.66 -0.10 0.00 0.02 0.00 0.00 55.97 54.23 1ntr s LYS 104 Cb 0.00 -1.89 0.11 0.00 -0.52 0.00 0.00 37.83 35.54 1ntr s LYS 104 CO 0.00 0.34 1.14 -1.25 -0.92 0.00 0.00 175.35 174.67 1ntr s PRO 105 N -3.52 1.62 -0.29 -1.68 0.04 -1.26 -5.20 135.00 124.71 1ntr s PRO 105 Ca 0.30 -0.31 -0.16 0.00 0.04 0.00 0.00 61.00 60.87 1ntr s PRO 105 Cb -0.06 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.58 1ntr s PRO 105 CO 0.16 -1.70 0.93 -0.59 0.04 0.00 0.00 177.00 175.85 1ntr s PHE 106 N -3.51 -0.64 0.52 0.56 -0.71 -1.26 -5.15 117.98 107.79 1ntr s PHE 106 Ca 0.65 1.29 -0.20 0.00 -1.04 0.00 0.00 56.93 57.63 1ntr s PHE 106 Cb -0.08 0.39 -0.06 0.00 -1.21 0.00 0.00 43.02 42.05 1ntr s PHE 106 CO 0.48 -0.32 1.13 0.34 -1.34 0.00 0.00 175.22 175.51 1ntr s ASP 107 N 1.35 5.90 0.17 1.98 -1.08 -1.26 -4.93 116.67 118.80 1ntr s ASP 107 Ca -0.09 2.18 -0.10 0.00 -0.52 0.00 0.00 52.55 54.02 1ntr s ASP 107 Cb -0.04 -2.58 0.05 0.00 -1.46 0.00 0.00 42.92 38.89 1ntr s ASP 107 CO -0.15 -1.10 1.63 0.40 0.52 0.00 0.00 175.17 176.47 1ntr h ILE 108 N 1.41 1.26 -0.05 4.11 1.08 -1.99 -2.04 117.51 121.29 1ntr h ILE 108 Ca -0.50 -1.12 -0.23 0.00 -0.39 0.00 0.00 64.86 62.62 1ntr h ILE 108 Cb 1.25 0.84 0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1ntr h ILE 108 CO 0.58 0.40 -0.86 -0.78 -0.69 0.00 0.00 178.15 176.80 1ntr h ASP 109 N 0.90 0.86 -0.94 1.72 3.58 -1.92 -0.92 116.42 119.71 1ntr h ASP 109 Ca 0.16 -0.70 0.24 0.00 0.42 0.00 0.00 57.03 57.15 1ntr h ASP 109 Cb 0.54 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 41.27 1ntr h ASP 109 CO 0.03 1.43 0.63 -0.08 -2.88 0.00 0.00 179.24 178.37 1ntr h GLU 110 N 0.35 0.27 0.00 0.28 4.57 -1.89 0.22 114.58 118.38 1ntr h GLU 110 Ca -0.09 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1ntr h GLU 110 Cb 1.52 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 1ntr h GLU 110 CO 0.17 0.18 0.00 0.00 -1.18 0.00 0.00 179.01 178.18 1ntr n ALA 111 N -2.57 0.00 -0.57 2.92 0.00 -0.78 -2.39 120.51 117.12 1ntr n ALA 111 Ca 0.20 -0.02 0.43 0.00 0.00 0.00 0.00 53.44 54.05 1ntr n ALA 111 Cb 0.82 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.94 1ntr n ALA 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ntr n VAL 112 N -1.55 0.00 -0.01 0.00 0.31 -0.37 -0.87 118.33 115.83 1ntr n VAL 112 Ca 0.00 1.23 -0.00 0.00 -0.01 0.00 0.00 64.34 65.56 1ntr n VAL 112 Cb 0.00 -2.06 -0.00 0.00 -0.91 0.00 0.00 33.84 30.87 1ntr n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ntr h ALA 113 N 0.80 -0.01 -1.23 3.52 0.00 -1.08 -2.30 119.26 118.98 1ntr h ALA 113 Ca 0.76 -0.00 0.44 0.00 0.00 0.00 0.00 54.91 56.11 1ntr h ALA 113 Cb 3.12 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 20.78 1ntr h ALA 113 CO -0.01 -0.01 0.77 -0.11 0.00 0.00 0.00 179.25 179.90 1ntr n LEU 114 N -2.88 0.22 0.12 0.00 -0.00 -0.05 -0.25 117.00 114.15 1ntr n LEU 114 Ca -0.00 1.33 -0.06 0.00 -0.00 0.00 0.00 56.01 57.28 1ntr n LEU 114 Cb 0.00 -0.65 -0.03 0.00 -0.00 0.00 0.00 43.42 42.74 1ntr n LEU 114 CO 0.00 -1.46 0.17 0.58 -0.00 0.00 0.00 177.39 176.68 1ntr h VAL 115 N 0.00 0.04 -1.79 1.96 2.07 -1.42 -3.00 116.25 114.11 1ntr h VAL 115 Ca 0.82 -0.73 0.53 0.00 0.82 0.00 0.00 66.70 68.13 1ntr h VAL 115 Cb 2.56 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 32.31 1ntr h VAL 115 CO -0.48 0.01 1.27 -1.84 0.02 0.00 0.00 177.57 176.55 1ntr n GLU 116 N -5.04 -0.00 -0.02 1.57 0.28 0.65 0.71 120.64 118.79 1ntr n GLU 116 Ca -0.05 1.04 -0.09 0.00 -0.16 0.00 0.00 57.16 57.90 1ntr n GLU 116 Cb 0.16 -2.36 -0.07 0.00 1.43 0.00 0.00 31.44 30.60 1ntr n GLU 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ntr h ARG 117 N 0.00 -0.08 -0.35 3.44 3.08 -1.52 -3.29 114.38 115.65 1ntr h ARG 117 Ca 0.88 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.98 1ntr h ARG 117 Cb 3.45 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 33.44 1ntr h ARG 117 CO -0.07 0.43 -0.51 0.00 -1.07 0.00 0.00 179.97 178.75 1ntr h ALA 118 N -0.38 -0.75 -0.79 0.04 0.00 0.43 0.15 119.26 117.96 1ntr h ALA 118 Ca -0.01 -0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.18 1ntr h ALA 118 Cb 0.55 1.08 -0.14 0.00 0.00 0.00 0.00 17.79 19.28 1ntr h ALA 118 CO 0.01 -0.99 0.26 -0.89 0.00 0.00 0.00 179.25 177.64 1ntr n ILE 119 N -5.13 -0.33 -1.58 0.00 5.41 -0.70 0.12 119.36 117.15 1ntr n ILE 119 Ca -0.03 1.66 -0.29 0.00 1.00 0.00 0.00 62.75 65.08 1ntr n ILE 119 Cb 0.31 -2.58 -0.04 0.00 -0.71 0.00 0.00 39.64 36.63 1ntr n ILE 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1ntr n SER 120 N -4.92 6.68 -0.10 4.38 2.88 0.53 -4.36 113.62 118.72 1ntr n SER 120 Ca 0.25 -3.31 -0.20 0.00 -1.33 0.00 0.00 58.87 54.28 1ntr n SER 120 Cb 0.85 -1.21 -0.12 0.00 -0.75 0.00 0.00 64.21 62.98 1ntr n SER 120 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1ntr n HIS 121 N 0.66 0.28 1.39 0.66 -0.00 0.32 -4.19 115.22 114.35 1ntr n HIS 121 Ca 0.50 0.07 0.02 0.00 0.46 0.00 0.00 57.72 58.77 1ntr n HIS 121 Cb 0.49 -1.04 0.07 0.00 -0.12 0.00 0.00 29.99 29.40 1ntr n HIS 121 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1ntr n TYR 122 N -3.44 0.24 -0.42 1.57 4.01 -1.26 -3.64 117.16 114.21 1ntr n TYR 122 Ca -0.44 -0.11 0.06 0.00 -0.16 0.00 0.00 57.90 57.25 1ntr n TYR 122 Cb 0.98 -0.02 0.31 0.00 -0.31 0.00 0.00 39.34 40.31 1ntr n TYR 122 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1ntr n GLN 123 N -0.01 3.89 -0.72 -0.72 -0.06 -1.26 -5.25 117.38 113.25 1ntr n GLN 123 Ca 0.05 -2.45 0.00 0.00 -2.00 0.00 0.00 57.00 52.60 1ntr n GLN 123 Cb 0.17 -2.03 0.00 0.00 -4.06 0.00 0.00 30.24 24.32 1ntr n GLN 123 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25