#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp3 s THR 2 N 0.00 3.75 -0.22 0.00 -4.23 -1.26 -0.78 115.64 112.90 1pp3 s THR 2 Ca 0.00 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.07 1pp3 s THR 2 Cb 0.00 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.34 1pp3 s THR 2 CO 0.00 0.59 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.22 1pp3 s PHE 3 N -0.67 2.53 -0.21 3.99 0.40 -0.23 -1.52 117.98 122.28 1pp3 s PHE 3 Ca 0.10 -1.75 -0.20 0.00 -0.60 0.00 0.00 56.93 54.48 1pp3 s PHE 3 Cb -0.11 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 1pp3 s PHE 3 CO 0.02 -0.77 0.58 -2.00 0.70 0.00 0.00 175.22 173.74 1pp3 s GLU 4 N 1.35 4.18 -0.27 0.44 2.12 -0.24 -0.75 118.70 125.53 1pp3 s GLU 4 Ca -0.04 0.51 -0.06 0.00 0.36 0.00 0.00 54.97 55.75 1pp3 s GLU 4 Cb -0.18 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1pp3 s GLU 4 CO -0.07 -0.23 0.04 0.42 -0.54 0.00 0.00 175.26 174.88 1pp3 s ILE 5 N 1.89 3.75 -0.12 -3.70 1.01 0.88 -0.35 121.20 124.56 1pp3 s ILE 5 Ca 0.26 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1pp3 s ILE 5 Cb -0.16 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1pp3 s ILE 5 CO 0.10 0.20 -0.21 -0.69 0.00 0.00 0.00 174.94 174.33 1pp3 s VAL 6 N 1.49 2.23 -0.47 2.92 1.01 -0.04 -0.52 120.40 127.01 1pp3 s VAL 6 Ca 0.03 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1pp3 s VAL 6 Cb -0.16 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1pp3 s VAL 6 CO 0.01 0.55 0.51 0.21 0.00 0.00 0.00 175.10 176.37 1pp3 s ASN 7 N 0.56 6.19 0.00 3.32 2.47 -0.31 -1.12 114.94 126.06 1pp3 s ASN 7 Ca -0.12 -0.99 0.21 0.00 0.42 0.00 0.00 52.86 52.38 1pp3 s ASN 7 Cb -0.17 -2.24 0.50 0.00 -1.45 0.00 0.00 41.25 37.89 1pp3 s ASN 7 CO 0.04 -0.74 1.42 0.54 -3.72 0.00 0.00 177.10 174.64 1pp3 n ARG 8 N 5.72 2.59 -1.50 0.43 1.74 -0.29 -0.27 116.66 125.08 1pp3 n ARG 8 Ca -0.09 -2.39 -0.31 0.00 -0.77 0.00 0.00 57.85 54.29 1pp3 n ARG 8 Cb 0.45 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.46 1pp3 n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pp3 h SER 10 N -0.78 0.00 -2.22 0.00 4.64 -1.96 -3.39 113.55 109.83 1pp3 h SER 10 Ca -0.44 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.36 1pp3 h SER 10 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 1pp3 h SER 10 CO 0.55 0.00 -0.57 -0.72 -0.87 0.00 0.00 176.83 175.22 1pp3 s TYR 11 N -3.18 2.98 0.42 4.77 -0.85 -1.26 -4.76 117.35 115.47 1pp3 s TYR 11 Ca 0.08 -0.14 -0.24 0.00 -0.52 0.00 0.00 57.07 56.25 1pp3 s TYR 11 Cb 0.10 -1.34 -0.08 0.00 0.38 0.00 0.00 41.96 41.02 1pp3 s TYR 11 CO 0.60 0.55 1.12 0.99 -1.52 0.00 0.00 175.55 177.29 1pp3 s THR 12 N -2.18 3.35 0.06 -3.49 2.01 -1.26 -4.31 115.64 109.82 1pp3 s THR 12 Ca 0.32 1.05 0.02 0.00 0.31 0.00 0.00 61.69 63.39 1pp3 s THR 12 Cb -0.07 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 1pp3 s THR 12 CO 0.23 0.02 -0.08 0.68 -0.69 0.00 0.00 174.62 174.78 1pp3 s VAL 13 N -1.56 0.66 -0.40 3.82 -7.23 -0.69 -4.68 120.40 110.32 1pp3 s VAL 13 Ca 0.60 -1.34 -0.06 0.00 -1.81 0.00 0.00 61.98 59.37 1pp3 s VAL 13 Cb -0.26 -0.95 0.09 0.00 0.56 0.00 0.00 36.38 35.81 1pp3 s VAL 13 CO 0.33 -0.50 0.21 0.26 -0.31 0.00 0.00 175.10 175.09 1pp3 s TRP 14 N -1.97 3.41 0.61 2.82 0.51 -0.28 -0.18 118.94 123.86 1pp3 s TRP 14 Ca -0.03 -1.87 -0.18 0.00 -2.12 0.00 0.00 56.10 51.89 1pp3 s TRP 14 Cb -0.06 -2.93 -0.03 0.00 -0.81 0.00 0.00 33.47 29.64 1pp3 s TRP 14 CO -0.01 -0.89 1.21 0.00 -0.51 0.00 0.00 176.95 176.76 1pp3 s ALA 15 N 1.31 2.49 -0.00 0.98 0.00 -0.34 -1.30 121.76 124.90 1pp3 s ALA 15 Ca 0.03 0.99 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 1pp3 s ALA 15 Cb -0.23 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 1pp3 s ALA 15 CO -0.00 -1.26 0.01 0.00 0.00 0.00 0.00 175.76 174.51 1pp3 s ALA 16 N -1.65 -0.02 -0.09 0.00 0.00 0.05 -2.03 121.76 118.02 1pp3 s ALA 16 Ca 0.77 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 1pp3 s ALA 16 Cb -0.30 0.01 0.05 0.00 0.00 0.00 0.00 23.12 22.88 1pp3 s ALA 16 CO 0.35 -0.05 0.18 0.00 0.00 0.00 0.00 175.76 176.25 1pp3 s ALA 17 N -0.34 -0.27 0.14 0.00 0.00 -0.39 -1.70 121.76 119.20 1pp3 s ALA 17 Ca -0.04 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 1pp3 s ALA 17 Cb -0.02 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.33 1pp3 s ALA 17 CO -0.00 -0.52 0.47 0.45 0.00 0.00 0.00 175.76 176.16 1pp3 s SER 18 N 2.16 -0.35 -0.10 0.00 0.15 -0.73 -1.68 113.70 113.15 1pp3 s SER 18 Ca 0.01 -0.22 0.14 0.00 0.70 0.00 0.00 55.95 56.57 1pp3 s SER 18 Cb -0.12 0.52 0.35 0.00 -1.71 0.00 0.00 66.02 65.06 1pp3 s SER 18 CO -0.06 -0.90 1.26 2.29 1.20 0.00 0.00 173.24 177.02 1pp3 n LYS 19 N -0.28 2.52 0.00 5.44 2.85 -0.34 -0.82 118.16 127.52 1pp3 n LYS 19 Ca -0.16 -2.41 0.00 0.00 -1.05 0.00 0.00 58.31 54.69 1pp3 n LYS 19 Cb 0.64 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 1pp3 n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pp3 n GLY 20 N -0.52 2.45 0.71 2.58 0.00 -1.26 -4.58 105.19 104.56 1pp3 n GLY 20 Ca 0.15 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1pp3 n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pp3 n ASP 21 N 2.07 2.68 -3.56 1.61 5.68 -1.26 -4.41 116.55 119.37 1pp3 n ASP 21 Ca 0.00 -1.79 -0.06 0.00 -0.50 0.00 0.00 54.79 52.44 1pp3 n ASP 21 Cb 0.00 -0.14 -0.02 0.00 -1.14 0.00 0.00 41.12 39.82 1pp3 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pp3 s ALA 22 N -1.12 -1.90 0.33 2.12 0.00 -0.99 -5.00 121.76 115.20 1pp3 s ALA 22 Ca 0.23 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 1pp3 s ALA 22 Cb 0.14 0.28 -0.09 0.00 0.00 0.00 0.00 23.12 23.45 1pp3 s ALA 22 CO 0.20 -0.72 0.75 0.00 0.00 0.00 0.00 175.76 175.99 1pp3 s ALA 23 N -2.90 3.30 -0.22 0.00 0.00 -1.26 -1.20 121.76 119.48 1pp3 s ALA 23 Ca 0.07 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 1pp3 s ALA 23 Cb -0.01 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 1pp3 s ALA 23 CO -0.06 0.31 0.16 -0.51 0.00 0.00 0.00 175.76 175.66 1pp3 s LEU 24 N -3.01 4.15 0.00 0.00 1.43 -0.68 -4.81 118.68 115.77 1pp3 s LEU 24 Ca 0.55 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1pp3 s LEU 24 Cb -0.10 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1pp3 s LEU 24 CO 0.17 0.10 0.00 -0.67 0.23 0.00 0.00 176.35 176.19 1pp3 n ASP 25 N 3.99 0.00 0.26 2.29 -0.08 -1.26 -0.74 116.55 121.01 1pp3 n ASP 25 Ca -0.15 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.30 1pp3 n ASP 25 Cb 0.52 0.00 0.69 0.00 2.34 0.00 0.00 41.12 44.67 1pp3 n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pp3 h ALA 26 N -0.72 1.00 0.00 -1.67 0.00 -1.92 -3.47 119.26 112.48 1pp3 h ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pp3 h ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pp3 h ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1pp3 n GLY 27 N -0.05 2.52 3.58 0.00 0.00 0.08 -4.56 105.19 106.76 1pp3 n GLY 27 Ca 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 1pp3 n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pp3 s GLY 28 N -1.07 -0.27 -0.19 -0.02 0.00 -1.25 -1.26 107.32 103.26 1pp3 s GLY 28 Ca 0.00 1.76 -0.28 0.00 0.00 0.00 0.00 44.72 46.19 1pp3 s GLY 28 CO 0.00 0.71 0.96 -1.60 0.00 0.00 0.00 173.10 173.17 1pp3 s ARG 29 N -2.02 0.63 0.03 2.90 3.52 -0.86 -4.61 118.95 118.54 1pp3 s ARG 29 Ca 0.05 0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 55.68 1pp3 s ARG 29 Cb -0.01 0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 33.63 1pp3 s ARG 29 CO -0.04 -0.16 1.23 -1.14 -0.81 0.00 0.00 175.30 174.38 1pp3 s GLN 30 N -0.64 4.39 -0.27 5.12 0.74 -1.26 -1.19 119.66 126.54 1pp3 s GLN 30 Ca -0.01 1.79 0.03 0.00 0.05 0.00 0.00 55.36 57.22 1pp3 s GLN 30 Cb -0.02 -3.41 0.07 0.00 1.10 0.00 0.00 33.01 30.75 1pp3 s GLN 30 CO 0.00 -0.34 -0.06 -0.51 -0.55 0.00 0.00 175.29 173.82 1pp3 s LEU 31 N 1.46 3.51 0.96 3.68 1.43 0.74 -4.93 118.68 125.53 1pp3 s LEU 31 Ca 0.59 -1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 1pp3 s LEU 31 Cb -0.29 -1.48 0.16 0.00 0.03 0.00 0.00 46.19 44.62 1pp3 s LEU 31 CO 0.27 -0.24 1.10 0.20 0.23 0.00 0.00 176.35 177.91 1pp3 s ASN 32 N 1.13 3.00 0.16 2.29 0.01 -1.26 -1.70 114.94 118.58 1pp3 s ASN 32 Ca -0.04 1.23 -0.33 0.00 -0.71 0.00 0.00 52.86 53.01 1pp3 s ASN 32 Cb -0.20 -1.89 -0.12 0.00 0.41 0.00 0.00 41.25 39.45 1pp3 s ASN 32 CO -0.06 -2.90 1.71 -0.24 -1.51 0.00 0.00 177.10 174.10 1pp3 n SER 33 N -4.03 3.71 0.00 -1.22 2.88 -1.26 -1.27 113.62 112.43 1pp3 n SER 33 Ca 0.06 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1pp3 n SER 33 Cb 0.57 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1pp3 n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pp3 n GLY 34 N 3.88 0.67 3.89 0.46 0.00 0.62 -5.04 105.19 109.67 1pp3 n GLY 34 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1pp3 n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pp3 s GLU 35 N -0.21 3.48 0.11 1.61 2.12 -0.40 -4.89 118.70 120.52 1pp3 s GLU 35 Ca 0.00 -0.18 0.10 0.00 0.36 0.00 0.00 54.97 55.24 1pp3 s GLU 35 Cb 0.00 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 1pp3 s GLU 35 CO 0.00 0.71 -0.24 -1.54 -0.54 0.00 0.00 175.26 173.65 1pp3 s SER 36 N -1.53 2.94 -0.09 -1.70 1.04 -1.26 -1.17 113.70 111.92 1pp3 s SER 36 Ca 0.23 -0.71 -0.04 0.00 0.48 0.00 0.00 55.95 55.91 1pp3 s SER 36 Cb -0.13 -0.19 0.05 0.00 0.10 0.00 0.00 66.02 65.86 1pp3 s SER 36 CO 0.13 0.13 0.19 0.86 0.98 0.00 0.00 173.24 175.53 1pp3 s TRP 37 N -1.08 -0.25 -0.16 5.02 -0.00 0.32 -4.98 118.94 117.81 1pp3 s TRP 37 Ca 0.10 0.68 -0.06 0.00 -0.00 0.00 0.00 56.10 56.82 1pp3 s TRP 37 Cb -0.10 -0.13 -0.04 0.00 -0.00 0.00 0.00 33.47 33.20 1pp3 s TRP 37 CO 0.05 -0.26 0.05 0.99 -0.00 0.00 0.00 176.95 177.78 1pp3 s THR 38 N 1.94 4.69 0.22 5.86 2.01 -1.26 -0.08 115.64 129.01 1pp3 s THR 38 Ca -0.02 -0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.00 1pp3 s THR 38 Cb -0.12 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1pp3 s THR 38 CO -0.07 0.49 -0.11 0.27 -0.69 0.00 0.00 174.62 174.51 1pp3 s ILE 39 N 0.12 3.02 -0.20 1.82 -4.36 0.07 -4.95 121.20 116.71 1pp3 s ILE 39 Ca 0.04 -1.90 -0.07 0.00 -0.26 0.00 0.00 60.65 58.46 1pp3 s ILE 39 Cb -0.12 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 1pp3 s ILE 39 CO 0.01 -0.22 0.05 0.21 0.24 0.00 0.00 174.94 175.23 1pp3 s ASN 40 N -3.13 5.39 -0.16 4.36 2.47 -1.26 -1.07 114.94 121.54 1pp3 s ASN 40 Ca 0.27 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.52 1pp3 s ASN 40 Cb -0.07 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1pp3 s ASN 40 CO 0.16 0.11 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.80 1pp3 s VAL 41 N 0.73 2.58 0.35 -5.21 1.01 0.04 -4.09 120.40 115.81 1pp3 s VAL 41 Ca 0.03 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 1pp3 s VAL 41 Cb -0.13 -2.09 -0.11 0.00 0.00 0.00 0.00 36.38 34.04 1pp3 s VAL 41 CO 0.02 0.51 1.53 -0.62 0.00 0.00 0.00 175.10 176.54 1pp3 n GLU 42 N 4.21 2.68 -1.73 2.72 -0.58 -1.26 -1.27 120.64 125.41 1pp3 n GLU 42 Ca -0.19 0.95 -0.38 0.00 -0.42 0.00 0.00 57.16 57.11 1pp3 n GLU 42 Cb 0.51 -2.69 0.05 0.00 -0.57 0.00 0.00 31.44 28.74 1pp3 n GLU 42 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1pp3 n PRO 43 N 1.06 1.46 -0.65 3.49 -0.02 -1.26 -2.42 135.00 136.66 1pp3 n PRO 43 Ca 0.04 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1pp3 n PRO 43 Cb 0.38 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1pp3 n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pp3 n GLY 44 N 0.85 0.82 3.68 -1.23 0.00 -1.21 -5.01 105.19 103.10 1pp3 n GLY 44 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1pp3 n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pp3 s THR 45 N -3.29 2.96 -0.06 2.61 2.01 -1.02 -4.73 115.64 114.13 1pp3 s THR 45 Ca 0.00 0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.37 1pp3 s THR 45 Cb 0.00 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 1pp3 s THR 45 CO 0.00 -0.01 -0.17 0.21 -0.69 0.00 0.00 174.62 173.97 1pp3 s ASN 46 N 2.85 3.82 -0.58 3.53 2.47 -1.26 -0.44 114.94 125.33 1pp3 s ASN 46 Ca 0.78 -0.27 -0.00 0.00 0.42 0.00 0.00 52.86 53.78 1pp3 s ASN 46 Cb -0.41 -0.88 0.00 0.00 -1.45 0.00 0.00 41.25 38.51 1pp3 s ASN 46 CO 0.34 0.31 0.01 0.61 -3.72 0.00 0.00 177.10 174.66 1pp3 n GLY 47 N 2.53 0.10 3.82 1.21 0.00 -1.17 -4.97 105.19 106.70 1pp3 n GLY 47 Ca -0.17 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1pp3 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pp3 s GLY 48 N -2.71 2.51 0.01 -0.02 0.00 -0.52 -4.47 107.32 102.12 1pp3 s GLY 48 Ca 0.01 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 45.02 1pp3 s GLY 48 CO 0.01 0.62 0.00 0.54 0.00 0.00 0.00 173.10 174.27 1pp3 s LYS 49 N -2.66 0.24 -0.03 2.90 1.02 -0.00 -1.28 119.74 119.92 1pp3 s LYS 49 Ca 0.54 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 56.17 1pp3 s LYS 49 Cb -0.13 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 1pp3 s LYS 49 CO 0.18 -0.04 -0.11 0.42 -0.92 0.00 0.00 175.35 174.88 1pp3 s ILE 50 N -0.99 0.91 0.24 2.17 1.01 -0.14 -1.77 121.20 122.63 1pp3 s ILE 50 Ca -0.11 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 1pp3 s ILE 50 Cb -0.07 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 1pp3 s ILE 50 CO -0.00 0.28 0.48 -1.66 0.00 0.00 0.00 174.94 174.04 1pp3 s TRP 51 N 0.18 0.29 0.13 3.97 -2.14 -0.69 -1.57 118.94 119.11 1pp3 s TRP 51 Ca -0.04 -0.65 0.05 0.00 2.66 0.00 0.00 56.10 58.12 1pp3 s TRP 51 Cb -0.09 0.22 -0.04 0.00 -3.10 0.00 0.00 33.47 30.46 1pp3 s TRP 51 CO 0.01 -0.98 0.08 0.00 -2.66 0.00 0.00 176.95 173.40 1pp3 s ALA 52 N -3.99 3.47 -0.02 2.67 0.00 -1.26 -0.77 121.76 121.85 1pp3 s ALA 52 Ca 0.20 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 51.06 1pp3 s ALA 52 Cb -0.01 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1pp3 s ALA 52 CO 0.07 0.60 -0.22 1.03 0.00 0.00 0.00 175.76 177.24 1pp3 s ARG 53 N -2.77 1.79 0.23 0.00 0.52 -0.42 -4.66 118.95 113.65 1pp3 s ARG 53 Ca 0.29 -0.77 0.12 0.00 -0.52 0.00 0.00 55.73 54.84 1pp3 s ARG 53 Cb -0.11 -1.71 -0.05 0.00 0.52 0.00 0.00 34.95 33.60 1pp3 s ARG 53 CO 0.21 0.45 -0.21 0.95 0.02 0.00 0.00 175.30 176.72 1pp3 s THR 54 N -0.47 2.46 -1.01 0.02 -4.23 -1.19 -1.13 115.64 110.08 1pp3 s THR 54 Ca 0.07 -2.17 -0.13 0.00 -1.18 0.00 0.00 61.69 58.28 1pp3 s THR 54 Cb -0.09 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 1pp3 s THR 54 CO -0.01 -0.24 0.75 0.47 -0.54 0.00 0.00 174.62 175.06 1pp3 n ASP 55 N -0.13 -5.77 -4.74 3.99 8.00 -1.26 -1.71 116.55 114.92 1pp3 n ASP 55 Ca -0.09 -0.82 -0.23 0.00 0.71 0.00 0.00 54.79 54.36 1pp3 n ASP 55 Cb 0.58 -3.51 -0.06 0.00 -0.02 0.00 0.00 41.12 38.10 1pp3 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pp3 s TYR 57 N -2.41 -0.48 0.05 0.00 5.04 -0.69 -4.99 117.35 113.88 1pp3 s TYR 57 Ca 0.38 1.04 0.04 0.00 -2.44 0.00 0.00 57.07 56.09 1pp3 s TYR 57 Cb -0.03 0.06 -0.02 0.00 0.35 0.00 0.00 41.96 42.32 1pp3 s TYR 57 CO 0.23 -0.35 -0.12 -0.06 -1.34 0.00 0.00 175.55 173.91 1pp3 s PHE 58 N 2.11 1.02 0.31 4.97 0.08 -1.26 -2.01 117.98 123.19 1pp3 s PHE 58 Ca -0.02 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.65 1pp3 s PHE 58 Cb -0.11 -0.59 0.05 0.00 -0.57 0.00 0.00 43.02 41.79 1pp3 s PHE 58 CO -0.10 0.01 0.41 -0.40 -0.10 0.00 0.00 175.22 175.04 1pp3 n ASP 59 N 1.57 1.27 0.00 1.36 5.68 -0.81 -4.99 116.55 120.62 1pp3 n ASP 59 Ca -0.20 -1.87 0.07 0.00 -0.50 0.00 0.00 54.79 52.29 1pp3 n ASP 59 Cb 0.55 -0.20 0.33 0.00 -1.14 0.00 0.00 41.12 40.65 1pp3 n ASP 59 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1pp3 n ASP 60 N -2.53 0.00 0.08 -1.12 8.00 -1.26 -2.42 116.55 117.29 1pp3 n ASP 60 Ca 0.08 0.25 0.12 0.00 0.71 0.00 0.00 54.79 55.94 1pp3 n ASP 60 Cb 0.33 -0.37 0.09 0.00 -0.02 0.00 0.00 41.12 41.15 1pp3 n ASP 60 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1pp3 h SER 61 N 0.00 0.00 0.00 -2.24 4.64 -2.05 -3.47 113.55 110.43 1pp3 h SER 61 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1pp3 h SER 61 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1pp3 h SER 61 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1pp3 n GLY 62 N 1.28 0.45 3.88 -0.77 0.00 -1.02 -5.03 105.19 103.98 1pp3 n GLY 62 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1pp3 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pp3 s SER 63 N -2.46 6.60 0.00 1.61 0.01 -1.26 -0.99 113.70 117.21 1pp3 s SER 63 Ca 0.00 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1pp3 s SER 63 Cb 0.00 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1pp3 s SER 63 CO 0.00 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1pp3 n GLY 64 N -0.12 -0.56 3.39 3.44 0.00 -0.75 -1.93 105.19 108.67 1pp3 n GLY 64 Ca -0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 1pp3 n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pp3 s ILE 65 N -3.00 0.03 0.13 -0.61 -5.25 -0.85 -4.28 121.20 107.36 1pp3 s ILE 65 Ca 0.00 -0.25 0.08 0.00 -0.99 0.00 0.00 60.65 59.49 1pp3 s ILE 65 Cb 0.00 -0.98 -0.04 0.00 2.95 0.00 0.00 42.46 44.40 1pp3 s ILE 65 CO 0.00 -0.14 -0.18 0.00 -1.79 0.00 0.00 174.94 172.83 1pp3 h LYS 67 N 3.63 0.00 -3.75 0.00 1.79 -0.73 -3.40 116.57 114.10 1pp3 h LYS 67 Ca -0.43 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 57.83 1pp3 h LYS 67 Cb 1.19 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.59 1pp3 h LYS 67 CO 0.46 0.33 -0.69 0.95 -1.08 0.00 0.00 179.45 179.43 1pp3 s THR 68 N -3.18 0.03 -0.67 -0.16 -4.23 -1.18 -4.75 115.64 101.51 1pp3 s THR 68 Ca 0.04 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1pp3 s THR 68 Cb 0.08 -0.11 0.00 0.00 1.34 0.00 0.00 72.50 73.81 1pp3 s THR 68 CO 0.70 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 1pp3 n GLY 69 N 2.63 0.79 3.69 3.99 0.00 -0.39 -3.20 105.19 112.70 1pp3 n GLY 69 Ca -0.16 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 1pp3 n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pp3 n ASP 70 N -0.24 2.99 -3.90 1.61 2.03 -1.26 -3.92 116.55 113.87 1pp3 n ASP 70 Ca -0.06 1.15 -0.31 0.00 0.52 0.00 0.00 54.79 56.09 1pp3 n ASP 70 Cb 0.34 -1.47 -0.09 0.00 -0.72 0.00 0.00 41.12 39.18 1pp3 n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pp3 n GLY 72 N 1.86 0.36 2.34 0.00 0.00 -1.26 -3.02 105.19 105.48 1pp3 n GLY 72 Ca 0.22 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 1pp3 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pp3 n GLY 73 N -1.04 -0.31 3.32 -0.02 0.00 -1.26 -5.00 105.19 100.88 1pp3 n GLY 73 Ca -0.17 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 1pp3 n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pp3 s LEU 74 N -4.77 2.27 -0.03 0.99 1.43 -1.17 -1.80 118.68 115.60 1pp3 s LEU 74 Ca 0.02 -0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 52.20 1pp3 s LEU 74 Cb -0.01 -1.04 -0.21 0.00 0.03 0.00 0.00 46.19 44.96 1pp3 s LEU 74 CO 0.02 0.13 1.15 0.25 0.23 0.00 0.00 176.35 178.13 1pp3 h LEU 75 N 4.22 0.16 -8.08 1.79 5.85 -1.40 -3.39 115.31 114.46 1pp3 h LEU 75 Ca -0.47 -0.64 -0.68 0.00 0.84 0.00 0.00 57.88 56.93 1pp3 h LEU 75 Cb 1.17 -0.05 -0.17 0.00 0.37 0.00 0.00 40.66 41.98 1pp3 h LEU 75 CO 0.40 0.77 0.61 -0.13 -0.34 0.00 0.00 178.44 179.76 1pp3 s ARG 76 N -3.66 3.37 0.36 1.25 0.52 -1.26 -3.84 118.95 115.70 1pp3 s ARG 76 Ca -0.16 -1.45 -0.28 0.00 -0.52 0.00 0.00 55.73 53.32 1pp3 s ARG 76 Cb 0.02 -4.60 -0.11 0.00 0.52 0.00 0.00 34.95 30.78 1pp3 s ARG 76 CO 0.72 -1.73 1.47 0.00 0.02 0.00 0.00 175.30 175.77 1pp3 n LYS 78 N 0.64 2.99 -4.50 0.00 5.02 -1.26 -4.07 118.16 116.97 1pp3 n LYS 78 Ca 0.01 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 1pp3 n LYS 78 Cb 0.39 -0.69 -0.10 0.00 -0.02 0.00 0.00 35.03 34.61 1pp3 n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pp3 s ARG 79 N -1.24 1.76 0.70 1.97 1.81 -1.26 -2.34 118.95 120.35 1pp3 s ARG 79 Ca 0.00 -2.00 -0.11 0.00 -1.72 0.00 0.00 55.73 51.90 1pp3 s ARG 79 Cb 0.00 -1.03 0.01 0.00 -0.45 0.00 0.00 34.95 33.49 1pp3 s ARG 79 CO 0.00 -0.19 1.07 -0.06 -0.68 0.00 0.00 175.30 175.43 1pp3 s PHE 80 N -3.16 2.98 0.45 -0.53 0.08 -1.26 -4.82 117.98 111.72 1pp3 s PHE 80 Ca 0.34 1.46 -0.08 0.00 0.12 0.00 0.00 56.93 58.77 1pp3 s PHE 80 Cb 0.08 -2.93 -0.05 0.00 -0.57 0.00 0.00 43.02 39.55 1pp3 s PHE 80 CO 0.15 -1.35 0.79 0.20 -0.10 0.00 0.00 175.22 174.91 1pp3 s GLY 81 N -3.62 1.71 0.11 4.36 0.00 -1.26 -4.65 107.32 103.97 1pp3 s GLY 81 Ca 0.59 -0.35 -0.30 0.00 0.00 0.00 0.00 44.72 44.66 1pp3 s GLY 81 CO 0.54 -0.17 1.08 -1.60 0.00 0.00 0.00 173.10 172.95 1pp3 s ARG 82 N -4.35 4.57 0.76 2.90 3.52 -0.29 -4.87 118.95 121.20 1pp3 s ARG 82 Ca 0.49 1.63 -0.15 0.00 -0.13 0.00 0.00 55.73 57.58 1pp3 s ARG 82 Cb -0.10 -3.34 0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1pp3 s ARG 82 CO 0.39 0.00 1.08 -2.30 -0.81 0.00 0.00 175.30 173.67 1pp3 n PRO 83 N 3.06 0.39 -3.03 5.12 -0.02 -1.26 -1.26 135.00 138.00 1pp3 n PRO 83 Ca 0.05 0.20 -0.40 0.00 -2.02 0.00 0.00 63.50 61.33 1pp3 n PRO 83 Cb 0.48 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 1pp3 n PRO 83 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1pp3 s PRO 84 N -3.70 4.45 -0.11 0.52 0.04 -1.26 -4.60 135.00 130.34 1pp3 s PRO 84 Ca 0.74 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 1pp3 s PRO 84 Cb -0.32 -3.38 0.05 0.00 0.04 0.00 0.00 34.50 30.89 1pp3 s PRO 84 CO 0.50 0.23 0.13 0.95 0.04 0.00 0.00 177.00 178.85 1pp3 s THR 85 N 0.17 -0.19 0.12 1.26 -4.23 -0.54 -3.91 115.64 108.32 1pp3 s THR 85 Ca 0.37 0.19 -0.31 0.00 -1.18 0.00 0.00 61.69 60.77 1pp3 s THR 85 Cb -0.19 -0.37 -0.07 0.00 1.34 0.00 0.00 72.50 73.20 1pp3 s THR 85 CO 0.21 0.01 1.30 -0.89 -0.54 0.00 0.00 174.62 174.71 1pp3 s THR 86 N 2.23 3.55 -0.11 3.99 2.01 -1.23 -4.34 115.64 121.74 1pp3 s THR 86 Ca 0.04 1.15 0.02 0.00 0.31 0.00 0.00 61.69 63.21 1pp3 s THR 86 Cb -0.13 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1pp3 s THR 86 CO -0.07 0.11 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.04 1pp3 s LEU 87 N 0.78 2.48 -0.28 4.42 1.43 -0.84 -4.53 118.68 122.15 1pp3 s LEU 87 Ca 0.60 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.19 1pp3 s LEU 87 Cb -0.34 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 1pp3 s LEU 87 CO 0.32 0.19 0.24 0.00 0.23 0.00 0.00 176.35 177.32 1pp3 s ALA 88 N 0.19 3.54 0.01 4.21 0.00 -0.61 -1.03 121.76 128.07 1pp3 s ALA 88 Ca -0.10 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 50.93 1pp3 s ALA 88 Cb -0.16 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 1pp3 s ALA 88 CO 0.06 -0.57 -0.25 -1.21 0.00 0.00 0.00 175.76 173.79 1pp3 s GLU 89 N 1.82 2.00 -0.06 0.00 2.02 -0.26 -0.96 118.70 123.25 1pp3 s GLU 89 Ca 0.09 -1.00 -0.23 0.00 0.02 0.00 0.00 54.97 53.86 1pp3 s GLU 89 Cb -0.16 -2.04 0.05 0.00 0.10 0.00 0.00 34.13 32.08 1pp3 s GLU 89 CO 0.11 0.54 0.51 -0.59 0.02 0.00 0.00 175.26 175.85 1pp3 s PHE 90 N -0.71 -0.46 -0.08 1.61 -0.71 -0.41 -1.46 117.98 115.78 1pp3 s PHE 90 Ca 0.11 0.83 -0.01 0.00 -1.04 0.00 0.00 56.93 56.82 1pp3 s PHE 90 Cb -0.10 0.25 0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1pp3 s PHE 90 CO 0.01 -0.47 -0.02 -1.12 -1.34 0.00 0.00 175.22 172.27 1pp3 s SER 91 N -1.03 1.62 0.09 1.98 0.01 -0.51 -1.44 113.70 114.42 1pp3 s SER 91 Ca -0.10 -0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.05 1pp3 s SER 91 Cb -0.03 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.64 1pp3 s SER 91 CO 0.06 -0.16 0.08 -0.76 0.41 0.00 0.00 173.24 172.88 1pp3 s LEU 92 N 1.78 3.80 -1.19 2.44 1.43 0.42 -1.01 118.68 126.34 1pp3 s LEU 92 Ca 0.03 -0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1pp3 s LEU 92 Cb -0.13 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 1pp3 s LEU 92 CO -0.05 0.16 0.76 0.59 0.23 0.00 0.00 176.35 178.05 1pp3 n ASN 93 N 0.40 -3.91 -4.23 2.29 3.02 -1.11 -3.34 115.26 108.37 1pp3 n ASN 93 Ca -0.09 -0.89 -0.41 0.00 -0.03 0.00 0.00 54.58 53.16 1pp3 n ASN 93 Cb 0.52 -3.93 -0.08 0.00 -0.61 0.00 0.00 39.78 35.67 1pp3 n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1pp3 s GLN 94 N -5.71 2.55 -1.44 3.52 -1.52 0.13 -4.51 119.66 112.67 1pp3 s GLN 94 Ca 0.29 -1.71 -0.10 0.00 -1.95 0.00 0.00 55.36 51.88 1pp3 s GLN 94 Cb -0.08 -3.95 0.04 0.00 -0.22 0.00 0.00 33.01 28.80 1pp3 s GLN 94 CO 0.82 -1.17 1.05 0.66 -0.25 0.00 0.00 175.29 176.40 1pp3 n TYR 95 N 4.95 -2.58 -0.85 0.91 4.01 -1.26 -1.90 117.16 120.43 1pp3 n TYR 95 Ca -0.09 0.92 0.00 0.00 -0.16 0.00 0.00 57.90 58.57 1pp3 n TYR 95 Cb 0.41 -4.58 0.00 0.00 -0.31 0.00 0.00 39.34 34.86 1pp3 n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pp3 n GLY 96 N -1.84 0.76 3.23 2.72 0.00 -1.26 -5.03 105.19 103.77 1pp3 n GLY 96 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1pp3 n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pp3 s LYS 97 N -0.15 1.01 0.09 1.61 -0.14 -0.80 -1.95 119.74 119.40 1pp3 s LYS 97 Ca 0.00 -1.37 0.05 0.00 -1.36 0.00 0.00 55.97 53.30 1pp3 s LYS 97 Cb 0.00 -0.62 -0.04 0.00 -1.68 0.00 0.00 37.83 35.49 1pp3 s LYS 97 CO 0.00 0.08 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.15 1pp3 s ASP 98 N -2.94 4.92 -0.13 2.83 1.01 0.66 0.17 116.67 123.19 1pp3 s ASP 98 Ca 0.13 -0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.18 1pp3 s ASP 98 Cb 0.01 -1.14 0.03 0.00 1.01 0.00 0.00 42.92 42.83 1pp3 s ASP 98 CO 0.01 0.18 -0.07 -0.31 0.21 0.00 0.00 175.17 175.19 1pp3 s TYR 99 N -1.28 1.51 0.20 4.23 2.02 -0.18 -0.29 117.35 123.55 1pp3 s TYR 99 Ca 0.25 -0.81 0.09 0.00 -0.37 0.00 0.00 57.07 56.23 1pp3 s TYR 99 Cb -0.12 -1.24 -0.05 0.00 -0.40 0.00 0.00 41.96 40.16 1pp3 s TYR 99 CO 0.17 -0.54 -0.17 0.96 -1.57 0.00 0.00 175.55 174.40 1pp3 s ILE 100 N 1.70 1.92 0.13 2.71 -4.36 -0.75 -1.42 121.20 121.13 1pp3 s ILE 100 Ca 0.04 -2.14 -0.26 0.00 -0.26 0.00 0.00 60.65 58.03 1pp3 s ILE 100 Cb -0.13 -2.02 0.07 0.00 1.25 0.00 0.00 42.46 41.62 1pp3 s ILE 100 CO -0.08 -0.45 0.99 1.51 0.24 0.00 0.00 174.94 177.15 1pp3 s ASP 101 N -3.10 -0.17 0.01 4.36 1.47 -0.53 -0.78 116.67 117.92 1pp3 s ASP 101 Ca 0.21 -0.37 0.08 0.00 1.18 0.00 0.00 52.55 53.66 1pp3 s ASP 101 Cb -0.03 0.46 -0.02 0.00 -0.34 0.00 0.00 42.92 42.98 1pp3 s ASP 101 CO 0.08 -0.84 -0.25 -0.63 0.68 0.00 0.00 175.17 174.21 1pp3 s ILE 102 N -3.20 2.19 -0.01 2.11 1.01 -1.26 -1.10 121.20 120.93 1pp3 s ILE 102 Ca 0.12 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.58 1pp3 s ILE 102 Cb -0.01 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1pp3 s ILE 102 CO 0.01 0.47 -0.11 -0.55 0.00 0.00 0.00 174.94 174.76 1pp3 s SER 103 N -0.95 1.35 0.00 3.58 0.15 -0.20 -1.93 113.70 115.71 1pp3 s SER 103 Ca 0.11 -0.21 0.09 0.00 0.70 0.00 0.00 55.95 56.65 1pp3 s SER 103 Cb -0.10 -0.16 0.25 0.00 -1.71 0.00 0.00 66.02 64.30 1pp3 s SER 103 CO 0.01 0.14 1.19 0.59 1.20 0.00 0.00 173.24 176.37 1pp3 n ASN 104 N 2.82 2.73 0.21 5.45 5.03 0.25 -1.98 115.26 129.77 1pp3 n ASN 104 Ca -0.14 -1.95 0.13 0.00 0.87 0.00 0.00 54.58 53.50 1pp3 n ASN 104 Cb 0.56 -0.19 0.73 0.00 -1.02 0.00 0.00 39.78 39.86 1pp3 n ASN 104 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1pp3 h ILE 105 N 1.81 0.77 -0.52 2.41 2.04 -1.79 -0.08 117.51 122.15 1pp3 h ILE 105 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.65 1pp3 h ILE 105 Cb 0.68 0.92 -0.13 0.00 -0.74 0.00 0.00 36.82 37.55 1pp3 h ILE 105 CO 0.00 0.00 0.13 0.29 0.00 0.00 0.00 178.15 178.57 1pp3 n LYS 106 N -4.26 2.46 0.00 2.37 4.76 -1.26 -4.76 118.16 117.47 1pp3 n LYS 106 Ca 0.00 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.37 1pp3 n LYS 106 Cb 0.23 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 1pp3 n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pp3 n GLY 107 N -0.84 -2.12 2.82 0.72 0.00 -0.04 -1.46 105.19 104.26 1pp3 n GLY 107 Ca 0.37 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 1pp3 n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pp3 s PHE 108 N -0.16 0.01 0.00 1.61 2.19 -0.43 -3.58 117.98 117.62 1pp3 s PHE 108 Ca 0.00 0.12 0.00 0.00 0.33 0.00 0.00 56.93 57.38 1pp3 s PHE 108 Cb 0.00 -0.15 0.00 0.00 -1.31 0.00 0.00 43.02 41.56 1pp3 s PHE 108 CO 0.00 -0.07 0.00 0.27 1.83 0.00 0.00 175.22 177.25 1pp3 n ASN 109 N 3.82 1.82 -4.08 6.13 2.04 -1.26 -0.63 115.26 123.09 1pp3 n ASN 109 Ca -0.23 0.00 -0.20 0.00 -0.44 0.00 0.00 54.58 53.71 1pp3 n ASN 109 Cb 0.53 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.64 1pp3 n ASN 109 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1pp3 s VAL 110 N -1.88 0.95 0.58 3.53 1.01 -1.26 -4.72 120.40 118.62 1pp3 s VAL 110 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 1pp3 s VAL 110 Cb 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1pp3 s VAL 110 CO 0.00 0.20 1.24 -2.16 0.00 0.00 0.00 175.10 174.37 1pp3 s PRO 111 N -0.48 2.99 -0.06 2.72 0.04 -1.26 -4.70 135.00 134.25 1pp3 s PRO 111 Ca 0.04 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 1pp3 s PRO 111 Cb -0.05 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1pp3 s PRO 111 CO -0.00 -1.21 0.26 1.41 0.04 0.00 0.00 177.00 177.50 1pp3 s MET 112 N -3.24 0.45 -0.07 4.56 1.75 -0.43 -1.18 119.30 121.14 1pp3 s MET 112 Ca 0.77 0.08 0.04 0.00 -1.25 0.00 0.00 55.69 55.32 1pp3 s MET 112 Cb -0.33 0.21 -0.00 0.00 2.84 0.00 0.00 34.83 37.55 1pp3 s MET 112 CO 0.36 -0.09 -0.20 1.21 -0.65 0.00 0.00 175.02 175.64 1pp3 s ASN 113 N -0.56 2.61 -0.30 1.11 2.47 -0.33 -1.17 114.94 118.77 1pp3 s ASN 113 Ca -0.07 -0.45 0.01 0.00 0.42 0.00 0.00 52.86 52.77 1pp3 s ASN 113 Cb -0.04 -0.93 0.09 0.00 -1.45 0.00 0.00 41.25 38.92 1pp3 s ASN 113 CO 0.02 0.16 0.07 0.12 -3.72 0.00 0.00 177.10 173.74 1pp3 s PHE 114 N 0.17 2.31 0.12 0.43 5.36 0.50 -0.62 117.98 126.26 1pp3 s PHE 114 Ca -0.10 -2.04 0.06 0.00 -0.96 0.00 0.00 56.93 53.88 1pp3 s PHE 114 Cb -0.15 -2.00 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 1pp3 s PHE 114 CO 0.05 -0.87 -0.14 -1.12 -1.46 0.00 0.00 175.22 171.68 1pp3 s SER 115 N 1.41 1.95 0.53 6.13 0.01 -0.59 -0.85 113.70 122.29 1pp3 s SER 115 Ca 0.08 -0.82 -0.16 0.00 1.31 0.00 0.00 55.95 56.36 1pp3 s SER 115 Cb -0.18 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 65.92 1pp3 s SER 115 CO -0.18 -0.16 1.00 -2.16 0.41 0.00 0.00 173.24 172.15 1pp3 s PRO 116 N -2.73 3.85 0.00 12.44 0.04 -1.26 -0.32 135.00 147.02 1pp3 s PRO 116 Ca 0.09 0.97 0.17 0.00 0.04 0.00 0.00 61.00 62.28 1pp3 s PRO 116 Cb -0.04 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 1pp3 s PRO 116 CO 0.03 -0.36 0.86 0.25 0.04 0.00 0.00 177.00 177.82 1pp3 n THR 117 N -1.71 0.00 -4.21 1.26 -2.24 0.57 -4.77 114.28 103.17 1pp3 n THR 117 Ca 0.07 -0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.36 1pp3 n THR 117 Cb 0.54 1.15 -0.07 0.00 -2.10 0.00 0.00 70.33 69.85 1pp3 n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1pp3 s THR 118 N -2.19 3.47 0.98 4.28 -4.23 -1.24 -4.98 115.64 111.72 1pp3 s THR 118 Ca 0.12 -1.78 -0.13 0.00 -1.18 0.00 0.00 61.69 58.72 1pp3 s THR 118 Cb 0.14 -2.96 0.18 0.00 1.34 0.00 0.00 72.50 71.19 1pp3 s THR 118 CO 0.51 -0.32 1.13 -0.13 -0.54 0.00 0.00 174.62 175.28 1pp3 s ARG 119 N -3.75 0.59 0.00 3.99 0.52 -1.26 -4.58 118.95 114.47 1pp3 s ARG 119 Ca 0.33 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.83 1pp3 s ARG 119 Cb -0.05 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.64 1pp3 s ARG 119 CO 0.21 -2.57 0.00 0.41 0.02 0.00 0.00 175.30 173.38 1pp3 n GLY 120 N -1.77 2.07 3.75 -3.53 0.00 -1.26 -4.75 105.19 99.69 1pp3 n GLY 120 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1pp3 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pp3 s ARG 122 N -2.36 2.28 0.55 0.00 1.04 -1.26 -4.85 118.95 114.35 1pp3 s ARG 122 Ca 0.18 -1.95 0.09 0.00 -1.04 0.00 0.00 55.73 53.01 1pp3 s ARG 122 Cb -0.04 -2.08 0.07 0.00 -2.04 0.00 0.00 34.95 30.85 1pp3 s ARG 122 CO 0.13 -0.47 0.73 0.20 -0.04 0.00 0.00 175.30 175.86 1pp3 s GLY 123 N -4.18 1.80 0.06 3.88 0.00 -1.26 -4.58 107.32 103.04 1pp3 s GLY 123 Ca 0.35 -2.02 0.06 0.00 0.00 0.00 0.00 44.72 43.11 1pp3 s GLY 123 CO 0.21 -1.67 -0.17 0.14 0.00 0.00 0.00 173.10 171.61 1pp3 s VAL 124 N -2.62 1.38 -0.05 1.40 1.01 -0.03 -4.98 120.40 116.51 1pp3 s VAL 124 Ca 0.59 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1pp3 s VAL 124 Cb -0.06 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1pp3 s VAL 124 CO 0.37 0.01 0.26 -0.60 0.00 0.00 0.00 175.10 175.14 1pp3 s ARG 125 N -1.39 0.49 -0.32 2.72 3.52 -1.26 -0.37 118.95 122.34 1pp3 s ARG 125 Ca 0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 55.73 55.63 1pp3 s ARG 125 Cb -0.09 0.22 0.13 0.00 -1.56 0.00 0.00 34.95 33.65 1pp3 s ARG 125 CO 0.02 -0.11 0.22 0.00 -0.81 0.00 0.00 175.30 174.62 1pp3 n ALA 127 N 4.65 2.08 -1.21 0.00 0.00 -1.26 -1.32 120.51 123.45 1pp3 n ALA 127 Ca 0.04 -1.85 -0.31 0.00 0.00 0.00 0.00 53.44 51.32 1pp3 n ALA 127 Cb 0.41 -0.35 0.10 0.00 0.00 0.00 0.00 19.45 19.61 1pp3 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pp3 s ALA 128 N -1.67 2.18 -1.48 0.00 0.00 -1.26 -4.87 121.76 114.66 1pp3 s ALA 128 Ca 0.17 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 1pp3 s ALA 128 Cb 0.15 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1pp3 s ALA 128 CO 0.02 -1.85 2.34 -3.47 0.00 0.00 0.00 175.76 172.79 1pp3 n ASP 129 N -3.54 4.87 -0.19 0.00 2.03 -1.26 -4.71 116.55 113.75 1pp3 n ASP 129 Ca 0.09 -2.81 -0.04 0.00 0.52 0.00 0.00 54.79 52.55 1pp3 n ASP 129 Cb 0.53 -1.63 0.15 0.00 -0.72 0.00 0.00 41.12 39.45 1pp3 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1pp3 h ILE 130 N 3.79 1.24 -0.55 5.18 2.04 -1.96 -2.25 117.51 124.99 1pp3 h ILE 130 Ca 0.62 -0.80 -0.12 0.00 1.00 0.00 0.00 64.86 65.56 1pp3 h ILE 130 Cb 0.57 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1pp3 h ILE 130 CO 1.85 0.31 -0.11 0.58 0.00 0.00 0.00 178.15 180.78 1pp3 h VAL 131 N 0.93 1.27 0.00 1.67 2.07 -1.90 -0.06 116.25 120.23 1pp3 h VAL 131 Ca 0.21 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1pp3 h VAL 131 Cb 0.25 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1pp3 h VAL 131 CO -0.01 0.45 -0.15 1.23 0.02 0.00 0.00 177.57 179.11 1pp3 h GLY 132 N 0.93 0.00 -1.45 2.17 0.00 -1.89 -2.82 103.07 100.02 1pp3 h GLY 132 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1pp3 h GLY 132 CO 0.05 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.53 1pp3 n GLN 133 N -3.46 2.72 -1.66 4.80 6.02 -0.87 -5.04 117.38 119.89 1pp3 n GLN 133 Ca -0.01 -2.08 -0.46 0.00 -0.01 0.00 0.00 57.00 54.43 1pp3 n GLN 133 Cb 0.32 -1.31 -0.04 0.00 1.02 0.00 0.00 30.24 30.23 1pp3 n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pp3 n PRO 135 N 3.00 1.55 -0.22 0.00 -0.02 -1.26 -4.75 135.00 133.30 1pp3 n PRO 135 Ca 0.16 0.56 -0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1pp3 n PRO 135 Cb 0.28 -2.23 0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1pp3 n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pp3 h ALA 136 N 1.64 0.45 0.00 3.55 0.00 -1.98 -0.37 119.26 122.54 1pp3 h ALA 136 Ca -0.47 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pp3 h ALA 136 Cb 1.32 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1pp3 h ALA 136 CO 0.57 -0.42 0.00 1.63 0.00 0.00 0.00 179.25 181.03 1pp3 n LYS 137 N -5.44 0.17 0.00 0.00 5.02 -1.26 -2.96 118.16 113.69 1pp3 n LYS 137 Ca 0.08 0.32 0.10 0.00 -2.02 0.00 0.00 58.31 56.80 1pp3 n LYS 137 Cb 0.34 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 1pp3 n LYS 137 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pp3 n LEU 138 N -2.07 1.22 -4.69 -0.35 4.77 -0.20 -4.94 117.00 110.73 1pp3 n LEU 138 Ca 0.03 -0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 55.07 1pp3 n LEU 138 Cb 0.27 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1pp3 n LEU 138 CO 0.22 0.27 1.49 -0.54 -1.33 0.00 0.00 177.39 177.50 1pp3 s LYS 139 N -2.86 4.13 -0.15 3.23 -0.14 -0.87 -0.55 119.74 122.53 1pp3 s LYS 139 Ca 0.11 2.62 -0.16 0.00 -1.36 0.00 0.00 55.97 57.18 1pp3 s LYS 139 Cb 0.17 -3.59 -0.04 0.00 -1.68 0.00 0.00 37.83 32.68 1pp3 s LYS 139 CO 0.78 -0.86 0.39 0.00 -0.76 0.00 0.00 175.35 174.90 1pp3 s ALA 140 N 2.75 3.53 0.27 5.17 0.00 -0.97 -4.86 121.76 127.66 1pp3 s ALA 140 Ca 0.82 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 1pp3 s ALA 140 Cb -0.47 -2.54 0.61 0.00 0.00 0.00 0.00 23.12 20.72 1pp3 s ALA 140 CO 0.37 -0.01 1.66 -1.35 0.00 0.00 0.00 175.76 176.42 1pp3 h PRO 141 N 6.81 0.22 -0.64 0.00 0.11 -1.93 -0.33 132.00 136.25 1pp3 h PRO 141 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1pp3 h PRO 141 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1pp3 h PRO 141 CO 0.75 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 179.10 1pp3 n GLY 142 N -1.37 2.02 0.00 -0.55 0.00 -1.26 -5.02 105.19 99.01 1pp3 n GLY 142 Ca 0.18 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1pp3 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pp3 n GLY 143 N 0.69 2.53 0.03 -0.02 0.00 -0.13 -4.64 105.19 103.64 1pp3 n GLY 143 Ca 0.17 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1pp3 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pp3 n GLY 144 N 1.14 -2.91 2.90 -0.02 0.00 -1.26 -4.52 105.19 100.52 1pp3 n GLY 144 Ca 0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 1pp3 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pp3 s ASN 146 N 1.58 4.88 0.49 0.00 0.01 0.29 -1.31 114.94 120.88 1pp3 s ASN 146 Ca -0.01 1.96 -0.06 0.00 -0.71 0.00 0.00 52.86 54.04 1pp3 s ASN 146 Cb -0.16 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 1pp3 s ASN 146 CO -0.07 -1.78 0.81 1.51 -1.51 0.00 0.00 177.10 176.05 1pp3 s ASP 147 N -2.81 6.28 0.35 -1.22 -4.77 -1.26 -4.79 116.67 108.45 1pp3 s ASP 147 Ca 0.65 0.99 0.05 0.00 -3.30 0.00 0.00 52.55 50.95 1pp3 s ASP 147 Cb -0.20 -2.27 0.66 0.00 -1.09 0.00 0.00 42.92 40.02 1pp3 s ASP 147 CO 0.46 -0.59 1.91 0.00 0.70 0.00 0.00 175.17 177.65 1pp3 h ALA 148 N 0.26 1.45 -0.30 2.11 0.00 -1.91 -2.96 119.26 117.90 1pp3 h ALA 148 Ca -0.47 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1pp3 h ALA 148 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1pp3 h ALA 148 CO 0.62 0.40 0.08 0.00 0.00 0.00 0.00 179.25 180.35 1pp3 h THR 150 N 0.32 1.08 0.06 0.00 2.02 -1.89 0.12 112.91 114.62 1pp3 h THR 150 Ca 0.09 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1pp3 h THR 150 Cb 0.27 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1pp3 h THR 150 CO -0.00 0.21 -0.03 0.58 0.37 0.00 0.00 175.52 176.65 1pp3 h VAL 151 N 1.14 1.21 0.00 3.16 2.07 -1.35 -3.39 116.25 119.09 1pp3 h VAL 151 Ca 0.42 -1.52 -0.26 0.00 0.82 0.00 0.00 66.70 66.16 1pp3 h VAL 151 Cb 0.17 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 1pp3 h VAL 151 CO -0.17 0.35 -1.78 0.49 0.02 0.00 0.00 177.57 176.48 1pp3 n PHE 152 N -4.79 0.74 -3.66 1.57 3.72 -0.30 -5.01 117.46 109.72 1pp3 n PHE 152 Ca -0.08 0.26 -0.23 0.00 -0.05 0.00 0.00 57.45 57.35 1pp3 n PHE 152 Cb 0.31 -1.08 0.06 0.00 -0.94 0.00 0.00 39.48 37.82 1pp3 n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1pp3 n GLN 153 N -2.90 -6.21 -4.41 -1.08 1.13 0.42 -5.01 117.38 99.32 1pp3 n GLN 153 Ca -0.17 0.72 -0.24 0.00 -1.94 0.00 0.00 57.00 55.37 1pp3 n GLN 153 Cb 0.99 -5.59 -0.11 0.00 0.11 0.00 0.00 30.24 25.64 1pp3 n GLN 153 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1pp3 s THR 154 N -3.43 2.23 0.43 5.09 -4.23 -1.26 -5.01 115.64 109.47 1pp3 s THR 154 Ca 0.29 -2.15 0.12 0.00 -1.18 0.00 0.00 61.69 58.77 1pp3 s THR 154 Cb -0.14 -2.12 0.30 0.00 1.34 0.00 0.00 72.50 71.89 1pp3 s THR 154 CO 0.78 -0.30 2.01 0.77 -0.54 0.00 0.00 174.62 177.35 1pp3 h SER 155 N 2.84 0.38 -0.87 3.99 4.64 -1.95 0.20 113.55 122.78 1pp3 h SER 155 Ca -0.43 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.01 1pp3 h SER 155 Cb 1.23 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 1pp3 h SER 155 CO 0.54 0.25 0.56 -0.08 -0.87 0.00 0.00 176.83 177.23 1pp3 h GLU 156 N 0.44 0.74 0.00 4.77 4.81 -1.99 -0.47 114.58 122.88 1pp3 h GLU 156 Ca 0.22 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 1pp3 h GLU 156 Cb 0.32 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1pp3 h GLU 156 CO -0.06 0.49 -2.01 0.66 -0.73 0.00 0.00 179.01 177.36 1pp3 n TYR 157 N -4.54 0.00 0.73 0.92 4.01 -0.68 -4.53 117.16 113.06 1pp3 n TYR 157 Ca 0.16 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.01 1pp3 n TYR 157 Cb 0.39 -0.65 0.12 0.00 -0.31 0.00 0.00 39.34 38.89 1pp3 n TYR 157 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pp3 n THR 160 N -3.49 0.00 -3.68 0.00 5.66 -1.26 -5.03 114.28 106.49 1pp3 n THR 160 Ca -0.08 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1pp3 n THR 160 Cb 0.60 0.97 0.00 0.00 -1.55 0.00 0.00 70.33 70.35 1pp3 n THR 160 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1pp3 n THR 161 N -1.25 0.00 0.00 1.09 -2.24 -1.26 -5.09 114.28 105.53 1pp3 n THR 161 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1pp3 n THR 161 Cb 0.15 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1pp3 n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pp3 n GLY 162 N 5.00 -2.65 0.00 3.38 0.00 -1.26 -4.64 105.19 105.01 1pp3 n GLY 162 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1pp3 n GLY 162 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pp3 n LYS 163 N -2.23 0.00 -1.90 1.61 5.02 -1.26 -5.03 118.16 114.37 1pp3 n LYS 163 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pp3 n LYS 163 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1pp3 n LYS 163 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pp3 n GLY 165 N 1.41 2.83 3.76 0.00 0.00 -1.26 -4.93 105.19 107.00 1pp3 n GLY 165 Ca 0.00 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 1pp3 n GLY 165 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pp3 s PRO 166 N -2.21 3.75 0.41 1.61 0.04 -1.26 -4.99 135.00 132.35 1pp3 s PRO 166 Ca 0.08 2.07 0.03 0.00 0.04 0.00 0.00 61.00 63.22 1pp3 s PRO 166 Cb -0.00 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 1pp3 s PRO 166 CO 0.06 -0.65 0.09 0.95 0.04 0.00 0.00 177.00 177.48 1pp3 s THR 167 N -1.35 0.88 0.37 1.26 -4.23 -1.26 -5.00 115.64 106.31 1pp3 s THR 167 Ca 0.62 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1pp3 s THR 167 Cb -0.36 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.23 1pp3 s THR 167 CO 0.45 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 176.13 1pp3 h GLU 168 N 1.77 0.45 -0.04 3.99 5.08 -1.98 -0.47 114.58 123.37 1pp3 h GLU 168 Ca -0.38 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 57.68 1pp3 h GLU 168 Cb 1.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1pp3 h GLU 168 CO 0.64 0.45 -0.88 1.88 -1.00 0.00 0.00 179.01 180.11 1pp3 h TYR 169 N 0.44 0.73 -0.16 4.33 0.05 -2.00 -2.33 116.97 118.02 1pp3 h TYR 169 Ca 0.10 -0.37 -0.16 0.00 0.05 0.00 0.00 58.73 58.36 1pp3 h TYR 169 Cb 0.25 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1pp3 h TYR 169 CO 0.01 1.17 -0.56 0.66 -1.05 0.00 0.00 178.16 178.39 1pp3 h SER 170 N 0.32 0.54 0.52 3.88 4.64 -1.76 -2.83 113.55 118.87 1pp3 h SER 170 Ca -0.07 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 60.91 1pp3 h SER 170 Cb 1.50 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1pp3 h SER 170 CO 0.16 0.99 -0.21 0.03 -0.87 0.00 0.00 176.83 176.93 1pp3 h ARG 171 N 0.37 0.00 0.31 4.77 3.08 -1.05 -1.22 114.38 120.64 1pp3 h ARG 171 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1pp3 h ARG 171 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1pp3 h ARG 171 CO 0.10 0.21 -0.15 0.35 -1.07 0.00 0.00 179.97 179.41 1pp3 h PHE 172 N 0.00 -0.39 -0.49 3.04 3.57 -1.15 -1.29 116.94 120.23 1pp3 h PHE 172 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1pp3 h PHE 172 Cb 0.52 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1pp3 h PHE 172 CO 0.00 -0.22 0.10 0.74 -2.23 0.00 0.00 178.31 176.71 1pp3 h PHE 173 N -0.46 0.84 -0.75 0.41 0.04 -1.49 -3.13 116.94 112.40 1pp3 h PHE 173 Ca -0.04 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.58 1pp3 h PHE 173 Cb 0.35 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1pp3 h PHE 173 CO -0.05 0.76 0.32 -0.22 -0.60 0.00 0.00 178.31 178.53 1pp3 h LYS 174 N 0.67 1.10 -0.52 1.51 1.63 -1.15 -0.19 116.57 119.63 1pp3 h LYS 174 Ca 0.15 -0.18 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 1pp3 h LYS 174 Cb 0.36 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1pp3 h LYS 174 CO 0.01 0.88 0.16 -0.09 -3.45 0.00 0.00 179.45 176.95 1pp3 h ARG 175 N 1.08 0.80 0.01 1.90 2.43 -1.22 -1.53 114.38 117.85 1pp3 h ARG 175 Ca 0.26 -0.17 -0.19 0.00 -0.81 0.00 0.00 59.98 59.07 1pp3 h ARG 175 Cb 0.17 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1pp3 h ARG 175 CO -0.03 0.74 -0.87 -0.07 -1.51 0.00 0.00 179.97 178.23 1pp3 h LEU 176 N 0.70 0.10 -6.37 3.80 3.38 -1.46 -3.39 115.31 112.07 1pp3 h LEU 176 Ca 0.17 -0.08 -0.59 0.00 0.09 0.00 0.00 57.88 57.47 1pp3 h LEU 176 Cb 0.27 -0.03 -0.39 0.00 0.09 0.00 0.00 40.66 40.60 1pp3 h LEU 176 CO -0.01 0.92 -0.92 0.00 0.09 0.00 0.00 178.44 178.52 1pp3 h PRO 178 N 5.06 0.00 -0.69 0.00 0.11 -1.49 -2.48 132.00 132.52 1pp3 h PRO 178 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1pp3 h PRO 178 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1pp3 h PRO 178 CO 0.48 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.02 1pp3 n ASP 179 N -3.64 3.66 -4.16 -2.05 8.00 -1.26 -4.88 116.55 112.23 1pp3 n ASP 179 Ca -0.02 -2.47 -0.19 0.00 0.71 0.00 0.00 54.79 52.82 1pp3 n ASP 179 Cb 0.17 -0.56 -0.13 0.00 -0.02 0.00 0.00 41.12 40.58 1pp3 n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pp3 s ALA 180 N -1.96 1.20 0.23 2.24 0.00 -0.93 -4.49 121.76 118.05 1pp3 s ALA 180 Ca 0.33 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 1pp3 s ALA 180 Cb 0.24 -0.15 -0.10 0.00 0.00 0.00 0.00 23.12 23.11 1pp3 s ALA 180 CO 0.12 0.20 1.45 -0.06 0.00 0.00 0.00 175.76 177.47 1pp3 s PHE 181 N -1.04 3.03 -0.15 0.00 0.40 -0.81 -4.82 117.98 114.59 1pp3 s PHE 181 Ca 0.00 0.99 0.12 0.00 -0.60 0.00 0.00 56.93 57.44 1pp3 s PHE 181 Cb -0.09 -3.82 -0.18 0.00 0.51 0.00 0.00 43.02 39.44 1pp3 s PHE 181 CO 0.02 -2.72 0.33 -1.13 0.70 0.00 0.00 175.22 172.41 1pp3 n SER 182 N 2.56 1.77 -3.65 1.36 3.41 -1.26 -0.58 113.62 117.23 1pp3 n SER 182 Ca 0.08 -0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 1pp3 n SER 182 Cb 0.40 1.43 -0.02 0.00 -0.26 0.00 0.00 64.21 65.76 1pp3 n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1pp3 s TYR 183 N -2.68 -0.35 0.26 7.33 1.13 -1.26 -4.57 117.35 117.22 1pp3 s TYR 183 Ca -0.02 0.02 -0.03 0.00 -1.41 0.00 0.00 57.07 55.63 1pp3 s TYR 183 Cb 0.08 0.63 0.55 0.00 -1.10 0.00 0.00 41.96 42.12 1pp3 s TYR 183 CO 0.51 -1.02 1.66 0.28 -2.51 0.00 0.00 175.55 174.47 1pp3 h VAL 184 N 2.00 0.39 -0.79 -3.49 2.07 -1.93 -1.86 116.25 112.64 1pp3 h VAL 184 Ca -0.26 -0.07 -0.34 0.00 0.82 0.00 0.00 66.70 66.85 1pp3 h VAL 184 Cb 1.27 0.17 -0.20 0.00 -1.52 0.00 0.00 31.29 31.01 1pp3 h VAL 184 CO 0.30 0.04 0.39 0.18 0.02 0.00 0.00 177.57 178.50 1pp3 n LEU 185 N -5.24 6.04 -4.77 2.57 4.77 -1.26 -5.00 117.00 114.11 1pp3 n LEU 185 Ca 0.17 -3.47 -0.35 0.00 -0.03 0.00 0.00 56.01 52.32 1pp3 n LEU 185 Cb 0.55 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1pp3 n LEU 185 CO 0.08 0.98 0.79 -0.62 -1.33 0.00 0.00 177.39 177.29 1pp3 s ASP 186 N -1.41 5.63 0.12 -1.43 2.15 -0.70 -4.93 116.67 116.10 1pp3 s ASP 186 Ca 0.54 2.21 -0.31 0.00 0.43 0.00 0.00 52.55 55.42 1pp3 s ASP 186 Cb 0.45 -2.58 -0.10 0.00 -0.30 0.00 0.00 42.92 40.39 1pp3 s ASP 186 CO 0.10 -1.28 1.73 -0.75 -0.17 0.00 0.00 175.17 174.80 1pp3 s LYS 187 N -3.31 4.16 0.16 4.34 2.20 -1.26 -4.88 119.74 121.15 1pp3 s LYS 187 Ca 0.73 2.50 -0.34 0.00 -0.36 0.00 0.00 55.97 58.50 1pp3 s LYS 187 Cb -0.25 -3.47 -0.15 0.00 -1.51 0.00 0.00 37.83 32.45 1pp3 s LYS 187 CO 0.28 -0.77 1.37 -2.30 -0.36 0.00 0.00 175.35 173.57 1pp3 n PRO 188 N 5.22 1.60 -0.47 4.03 -0.02 -1.26 -4.90 135.00 139.19 1pp3 n PRO 188 Ca 0.16 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 62.29 1pp3 n PRO 188 Cb 0.38 -2.21 0.18 0.00 -0.02 0.00 0.00 33.50 31.83 1pp3 n PRO 188 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1pp3 n THR 189 N 2.33 2.01 -2.30 3.45 -2.24 -1.26 -5.06 114.28 111.21 1pp3 n THR 189 Ca 0.16 -2.84 -0.35 0.00 -2.27 0.00 0.00 64.05 58.74 1pp3 n THR 189 Cb 0.26 -0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.29 1pp3 n THR 189 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1pp3 s THR 190 N -2.98 3.24 -0.12 4.28 -4.23 -1.26 -4.85 115.64 109.73 1pp3 s THR 190 Ca 0.36 0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 61.67 1pp3 s THR 190 Cb 0.34 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 1pp3 s THR 190 CO -0.04 -0.13 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.15 1pp3 s VAL 191 N -1.74 3.67 -0.27 2.29 1.01 0.04 -4.96 120.40 120.43 1pp3 s VAL 191 Ca 0.70 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 1pp3 s VAL 191 Cb -0.24 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1pp3 s VAL 191 CO 0.28 0.54 0.42 -0.89 0.00 0.00 0.00 175.10 175.45 1pp3 s THR 192 N -0.11 5.14 0.30 3.92 2.01 -1.26 -1.81 115.64 123.82 1pp3 s THR 192 Ca 0.01 0.67 0.11 0.00 0.31 0.00 0.00 61.69 62.78 1pp3 s THR 192 Cb -0.13 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 1pp3 s THR 192 CO 0.03 0.12 -0.10 0.00 -0.69 0.00 0.00 174.62 173.98 1pp3 s PRO 194 N -3.60 2.84 0.50 0.00 0.02 -1.26 -0.25 135.00 133.26 1pp3 s PRO 194 Ca 0.32 2.09 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 1pp3 s PRO 194 Cb -0.03 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 1pp3 s PRO 194 CO 0.17 -1.38 1.40 0.20 -0.33 0.00 0.00 177.00 177.06 1pp3 s GLY 195 N -1.26 2.90 -1.30 0.52 0.00 -0.82 -3.00 107.32 104.36 1pp3 s GLY 195 Ca 0.78 1.41 -0.04 0.00 0.00 0.00 0.00 44.72 46.87 1pp3 s GLY 195 CO 0.41 1.98 0.54 1.44 0.00 0.00 0.00 173.10 177.48 1pp3 n SER 196 N -0.66 -5.44 -4.87 1.64 7.64 -1.26 -4.94 113.62 105.73 1pp3 n SER 196 Ca 0.08 -0.25 -0.30 0.00 1.01 0.00 0.00 58.87 59.41 1pp3 n SER 196 Cb 0.43 -4.26 0.06 0.00 -1.01 0.00 0.00 64.21 59.43 1pp3 n SER 196 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pp3 s SER 197 N -2.79 5.19 0.18 6.43 0.01 -1.16 -4.94 113.70 116.61 1pp3 s SER 197 Ca 0.27 1.16 0.08 0.00 1.31 0.00 0.00 55.95 58.77 1pp3 s SER 197 Cb -0.12 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1pp3 s SER 197 CO 0.33 -1.51 -0.02 0.20 0.41 0.00 0.00 173.24 172.65 1pp3 s ASN 198 N -4.26 4.65 0.23 2.44 0.01 -1.26 -4.57 114.94 112.17 1pp3 s ASN 198 Ca 0.59 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 1pp3 s ASN 198 Cb -0.12 -0.94 -0.04 0.00 0.41 0.00 0.00 41.25 40.55 1pp3 s ASN 198 CO 0.52 0.09 0.13 -0.31 -1.51 0.00 0.00 177.10 176.02 1pp3 s TYR 199 N -1.73 1.32 -0.02 2.20 2.02 -0.57 -0.31 117.35 120.25 1pp3 s TYR 199 Ca 0.27 -1.32 0.00 0.00 -0.37 0.00 0.00 57.07 55.64 1pp3 s TYR 199 Cb -0.09 -0.69 0.03 0.00 -0.40 0.00 0.00 41.96 40.81 1pp3 s TYR 199 CO 0.18 -0.54 0.02 0.50 -1.57 0.00 0.00 175.55 174.14 1pp3 s ARG 200 N -4.08 0.08 -0.23 -0.62 3.52 0.56 -1.08 118.95 117.11 1pp3 s ARG 200 Ca 0.38 0.16 -0.04 0.00 -0.13 0.00 0.00 55.73 56.10 1pp3 s ARG 200 Cb 0.07 -0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.10 1pp3 s ARG 200 CO 0.13 -0.17 -0.03 0.08 -0.81 0.00 0.00 175.30 174.51 1pp3 s VAL 201 N 1.12 3.42 -0.16 7.11 1.01 0.53 -1.55 120.40 131.88 1pp3 s VAL 201 Ca -0.09 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1pp3 s VAL 201 Cb -0.13 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1pp3 s VAL 201 CO -0.03 0.38 -0.10 -0.89 0.00 0.00 0.00 175.10 174.47 1pp3 s THR 202 N 1.48 3.16 -0.08 3.92 2.01 0.21 -0.87 115.64 125.48 1pp3 s THR 202 Ca 0.05 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.28 1pp3 s THR 202 Cb -0.15 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 1pp3 s THR 202 CO -0.03 0.49 0.46 -0.36 -0.69 0.00 0.00 174.62 174.49 1pp3 s PHE 203 N 0.76 3.59 -0.99 4.92 0.08 -0.27 -1.19 117.98 124.87 1pp3 s PHE 203 Ca -0.04 0.93 -0.04 0.00 0.12 0.00 0.00 56.93 57.90 1pp3 s PHE 203 Cb -0.15 -2.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.78 1pp3 s PHE 203 CO 0.01 0.32 0.85 0.00 -0.10 0.00 0.00 175.22 176.31 1pp3 s PRO 205 N -4.56 3.44 0.46 0.00 0.02 -1.26 -4.55 135.00 128.54 1pp3 s PRO 205 Ca 0.28 2.14 -0.04 0.00 0.02 0.00 0.00 61.00 63.40 1pp3 s PRO 205 Cb -0.04 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 32.05 1pp3 s PRO 205 CO 0.66 -0.92 0.74 0.95 -0.33 0.00 0.00 177.00 178.10 1pp3 s THR 206 N -1.34 4.89 -2.00 0.99 -4.23 -1.26 -5.04 115.64 107.65 1pp3 s THR 206 Ca 0.67 0.04 0.15 0.00 -1.18 0.00 0.00 61.69 61.37 1pp3 s THR 206 Cb -0.38 -3.85 0.42 0.00 1.34 0.00 0.00 72.50 70.04 1pp3 s THR 206 CO 0.46 -0.77 1.31 0.00 -0.54 0.00 0.00 174.62 175.08