#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 5.28 -0.11 0.00 2.01 -1.26 -0.72 115.64 120.83 1pp3 s THR 2 Ca 0.00 0.58 0.01 0.00 0.31 0.00 0.00 61.69 62.59 1pp3 s THR 2 Cb 0.00 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1pp3 s THR 2 CO 0.00 0.45 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.88 1pp3 s PHE 3 N 0.03 1.89 -0.15 4.92 0.40 -0.68 -1.35 117.98 123.04 1pp3 s PHE 3 Ca 0.18 -0.92 -0.04 0.00 -0.60 0.00 0.00 56.93 55.54 1pp3 s PHE 3 Cb -0.14 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1pp3 s PHE 3 CO 0.06 -0.50 -0.00 -2.00 0.70 0.00 0.00 175.22 173.47 1pp3 s GLU 4 N 1.15 3.66 -0.20 0.44 2.12 -0.44 -1.00 118.70 124.43 1pp3 s GLU 4 Ca -0.04 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 1pp3 s GLU 4 Cb -0.14 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.28 1pp3 s GLU 4 CO -0.04 0.32 -0.13 0.42 -0.54 0.00 0.00 175.26 175.30 1pp3 s ILE 5 N 0.18 2.63 -0.09 -3.70 1.01 0.10 -0.53 121.20 120.80 1pp3 s ILE 5 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1pp3 s ILE 5 Cb -0.13 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 1pp3 s ILE 5 CO 0.02 0.44 -0.24 -0.69 0.00 0.00 0.00 174.94 174.47 1pp3 s VAL 6 N 1.36 2.05 -0.38 2.92 1.01 -0.17 -0.25 120.40 126.94 1pp3 s VAL 6 Ca 0.04 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 1pp3 s VAL 6 Cb -0.14 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1pp3 s VAL 6 CO -0.08 0.56 0.30 0.21 0.00 0.00 0.00 175.10 176.08 1pp3 s ASN 7 N 0.28 6.11 0.00 3.32 2.47 -0.62 -0.96 114.94 125.54 1pp3 s ASN 7 Ca -0.17 -0.62 0.19 0.00 0.42 0.00 0.00 52.86 52.68 1pp3 s ASN 7 Cb -0.17 -2.16 0.30 0.00 -1.45 0.00 0.00 41.25 37.76 1pp3 s ASN 7 CO 0.08 -0.37 1.24 0.54 -3.72 0.00 0.00 177.10 174.88 1pp3 n ARG 8 N 5.20 2.12 -1.37 0.43 5.12 -0.23 -0.61 116.66 127.32 1pp3 n ARG 8 Ca -0.11 -1.97 -0.31 0.00 -1.93 0.00 0.00 57.85 53.53 1pp3 n ARG 8 Cb 0.48 -1.41 0.08 0.00 -1.16 0.00 0.00 32.46 30.45 1pp3 n ARG 8 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pp3 n SER 10 N -3.31 0.16 -4.53 0.00 3.41 -1.26 -4.40 113.62 103.69 1pp3 n SER 10 Ca 0.09 0.52 -0.25 0.00 -0.26 0.00 0.00 58.87 58.97 1pp3 n SER 10 Cb 0.53 -0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 63.82 1pp3 n SER 10 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1pp3 s TYR 11 N -3.03 2.49 0.33 7.33 -0.85 -1.26 -4.79 117.35 117.57 1pp3 s TYR 11 Ca 0.12 -0.28 -0.28 0.00 -0.52 0.00 0.00 57.07 56.11 1pp3 s TYR 11 Cb 0.16 -1.15 -0.10 0.00 0.38 0.00 0.00 41.96 41.25 1pp3 s TYR 11 CO 0.50 0.60 1.21 0.99 -1.52 0.00 0.00 175.55 177.32 1pp3 s THR 12 N -2.08 3.06 0.03 -3.49 2.01 -1.26 -4.32 115.64 109.58 1pp3 s THR 12 Ca 0.27 1.02 0.04 0.00 0.31 0.00 0.00 61.69 63.33 1pp3 s THR 12 Cb -0.07 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1pp3 s THR 12 CO 0.15 0.21 -0.13 0.68 -0.69 0.00 0.00 174.62 174.84 1pp3 s VAL 13 N -1.22 1.03 -0.52 3.82 -7.23 -0.56 -4.65 120.40 111.08 1pp3 s VAL 13 Ca 0.50 -0.89 -0.14 0.00 -1.81 0.00 0.00 61.98 59.64 1pp3 s VAL 13 Cb -0.35 -0.93 0.13 0.00 0.56 0.00 0.00 36.38 35.79 1pp3 s VAL 13 CO 0.46 0.04 0.45 0.26 -0.31 0.00 0.00 175.10 176.00 1pp3 s TRP 14 N -0.75 3.32 0.53 2.82 0.51 0.20 -0.58 118.94 124.99 1pp3 s TRP 14 Ca 0.02 -1.51 -0.21 0.00 -2.12 0.00 0.00 56.10 52.27 1pp3 s TRP 14 Cb -0.07 -3.69 -0.05 0.00 -0.81 0.00 0.00 33.47 28.84 1pp3 s TRP 14 CO 0.01 -1.01 1.28 0.00 -0.51 0.00 0.00 176.95 176.72 1pp3 s ALA 15 N 1.49 2.80 0.02 0.98 0.00 -0.28 -1.64 121.76 125.12 1pp3 s ALA 15 Ca 0.04 1.17 0.02 0.00 0.00 0.00 0.00 51.96 53.19 1pp3 s ALA 15 Cb -0.28 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 1pp3 s ALA 15 CO 0.02 -1.15 -0.06 0.00 0.00 0.00 0.00 175.76 174.57 1pp3 s ALA 16 N -1.42 0.45 -0.10 0.00 0.00 -0.19 -1.87 121.76 118.63 1pp3 s ALA 16 Ca 0.71 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 1pp3 s ALA 16 Cb -0.35 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 22.79 1pp3 s ALA 16 CO 0.42 0.04 0.15 0.00 0.00 0.00 0.00 175.76 176.37 1pp3 s ALA 17 N -0.70 -0.10 0.14 0.00 0.00 -0.37 -1.83 121.76 118.90 1pp3 s ALA 17 Ca -0.04 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 1pp3 s ALA 17 Cb -0.06 -0.87 0.05 0.00 0.00 0.00 0.00 23.12 22.25 1pp3 s ALA 17 CO 0.00 -0.66 0.50 0.45 0.00 0.00 0.00 175.76 176.04 1pp3 s SER 18 N 2.28 -0.39 -0.17 0.00 0.15 -0.62 -1.43 113.70 113.51 1pp3 s SER 18 Ca 0.04 -0.16 0.17 0.00 0.70 0.00 0.00 55.95 56.69 1pp3 s SER 18 Cb -0.13 0.53 0.40 0.00 -1.71 0.00 0.00 66.02 65.11 1pp3 s SER 18 CO -0.06 -0.91 1.27 2.29 1.20 0.00 0.00 173.24 177.03 1pp3 n LYS 19 N -0.29 1.87 0.00 5.44 2.85 -0.41 -0.57 118.16 127.05 1pp3 n LYS 19 Ca -0.17 -2.79 0.00 0.00 -1.05 0.00 0.00 58.31 54.30 1pp3 n LYS 19 Cb 0.64 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 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 -1.09 2.02 0.66 2.58 0.00 -1.26 -4.54 105.19 103.56 1pp3 n GLY 20 Ca 0.20 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 2.05 2.91 -3.58 1.61 5.75 -1.26 -4.40 116.55 119.65 1pp3 n ASP 21 Ca 0.00 -1.96 -0.06 0.00 -0.01 0.00 0.00 54.79 52.76 1pp3 n ASP 21 Cb 0.00 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 39.84 1pp3 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pp3 s ALA 22 N -1.00 -2.01 0.48 2.12 0.00 -0.94 -5.02 121.76 115.39 1pp3 s ALA 22 Ca 0.24 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.56 1pp3 s ALA 22 Cb 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.09 1pp3 s ALA 22 CO 0.17 -0.58 0.88 0.00 0.00 0.00 0.00 175.76 176.22 1pp3 s ALA 23 N -2.44 3.22 -0.20 0.00 0.00 -1.25 -1.29 121.76 119.81 1pp3 s ALA 23 Ca 0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.89 1pp3 s ALA 23 Cb -0.01 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1pp3 s ALA 23 CO -0.05 -0.20 0.05 -0.51 0.00 0.00 0.00 175.76 175.05 1pp3 s LEU 24 N -4.17 3.66 0.00 0.00 1.43 -0.52 -4.76 118.68 114.33 1pp3 s LEU 24 Ca 0.54 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1pp3 s LEU 24 Cb -0.10 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1pp3 s LEU 24 CO 0.35 0.12 0.00 -0.67 0.23 0.00 0.00 176.35 176.39 1pp3 n ASP 25 N 3.87 0.00 0.00 2.29 -0.08 -1.26 -0.92 116.55 120.45 1pp3 n ASP 25 Ca -0.16 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.20 1pp3 n ASP 25 Cb 0.52 0.00 0.40 0.00 2.34 0.00 0.00 41.12 44.38 1pp3 n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pp3 n ALA 26 N 8.72 1.87 0.00 -1.67 0.00 -1.26 -4.91 120.51 123.26 1pp3 n ALA 26 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1pp3 n ALA 26 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1pp3 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pp3 n GLY 27 N 0.23 1.17 3.56 0.00 0.00 -0.09 -4.59 105.19 105.46 1pp3 n GLY 27 Ca 0.06 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.07 -0.36 -0.21 -0.02 0.00 -1.25 -1.24 107.32 104.17 1pp3 s GLY 28 Ca 0.00 1.80 -0.19 0.00 0.00 0.00 0.00 44.72 46.33 1pp3 s GLY 28 CO 0.00 0.99 0.56 0.50 0.00 0.00 0.00 173.10 175.15 1pp3 s ARG 29 N -1.18 0.65 0.02 2.90 1.81 -0.78 -4.64 118.95 117.71 1pp3 s ARG 29 Ca -0.04 0.77 -0.30 0.00 -1.72 0.00 0.00 55.73 54.44 1pp3 s ARG 29 Cb -0.00 0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.77 1pp3 s ARG 29 CO 0.04 -0.08 1.10 -1.14 -0.68 0.00 0.00 175.30 174.54 1pp3 s GLN 30 N 0.31 4.47 -0.25 3.54 0.74 -1.26 -1.13 119.66 126.08 1pp3 s GLN 30 Ca -0.00 1.60 0.01 0.00 0.05 0.00 0.00 55.36 57.02 1pp3 s GLN 30 Cb -0.04 -3.42 0.07 0.00 1.10 0.00 0.00 33.01 30.72 1pp3 s GLN 30 CO 0.01 -0.20 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.01 1pp3 s LEU 31 N 1.20 2.84 0.87 3.68 1.43 0.25 -4.94 118.68 124.01 1pp3 s LEU 31 Ca 0.55 -1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 1pp3 s LEU 31 Cb -0.25 -1.22 0.11 0.00 0.03 0.00 0.00 46.19 44.86 1pp3 s LEU 31 CO 0.27 -0.27 1.12 0.20 0.23 0.00 0.00 176.35 177.91 1pp3 s ASN 32 N 1.34 3.90 0.03 2.29 0.02 -1.26 -1.50 114.94 119.76 1pp3 s ASN 32 Ca -0.03 1.12 -0.36 0.00 -1.02 0.00 0.00 52.86 52.58 1pp3 s ASN 32 Cb -0.19 -1.77 -0.15 0.00 0.02 0.00 0.00 41.25 39.16 1pp3 s ASN 32 CO -0.08 -2.32 1.57 -0.24 0.02 0.00 0.00 177.10 176.05 1pp3 n SER 33 N -3.64 2.54 0.00 -1.22 2.88 -1.26 -0.91 113.62 112.02 1pp3 n SER 33 Ca 0.07 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1pp3 n SER 33 Cb 0.58 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 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 3.38 1.50 3.92 0.46 0.00 0.22 -5.04 105.19 109.63 1pp3 n GLY 34 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1pp3 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pp3 s GLU 35 N -0.46 3.29 0.16 1.61 2.02 -0.09 -4.85 118.70 120.39 1pp3 s GLU 35 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 54.97 54.94 1pp3 s GLU 35 Cb 0.00 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 1pp3 s GLU 35 CO 0.00 -0.31 0.15 -1.54 0.02 0.00 0.00 175.26 173.58 1pp3 s SER 36 N -4.17 0.19 -0.03 -0.19 1.04 -1.26 -1.59 113.70 107.69 1pp3 s SER 36 Ca 0.49 -1.14 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 1pp3 s SER 36 Cb -0.10 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.41 1pp3 s SER 36 CO 0.43 -0.81 0.05 0.86 0.98 0.00 0.00 173.24 174.75 1pp3 s TRP 37 N -4.04 0.00 -0.16 5.02 -0.00 0.65 -4.98 118.94 115.42 1pp3 s TRP 37 Ca 0.25 0.20 -0.02 0.00 -0.00 0.00 0.00 56.10 56.52 1pp3 s TRP 37 Cb 0.06 -0.24 -0.02 0.00 -0.00 0.00 0.00 33.47 33.27 1pp3 s TRP 37 CO 0.03 -0.11 -0.08 -0.08 -0.00 0.00 0.00 176.95 176.71 1pp3 s THR 38 N 1.22 3.40 0.32 5.86 -1.32 -1.26 0.03 115.64 123.88 1pp3 s THR 38 Ca -0.07 -0.52 0.04 0.00 -1.21 0.00 0.00 61.69 59.92 1pp3 s THR 38 Cb -0.13 -2.48 -0.06 0.00 -1.51 0.00 0.00 72.50 68.32 1pp3 s THR 38 CO -0.03 0.49 0.05 0.27 -2.21 0.00 0.00 174.62 173.18 1pp3 s ILE 39 N 0.68 1.21 -0.11 5.08 -4.36 -0.17 -5.00 121.20 118.53 1pp3 s ILE 39 Ca -0.04 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.38 1pp3 s ILE 39 Cb -0.15 -2.75 0.00 0.00 1.25 0.00 0.00 42.46 40.81 1pp3 s ILE 39 CO 0.02 -0.03 -0.23 0.21 0.24 0.00 0.00 174.94 175.15 1pp3 s ASN 40 N -3.48 3.00 -0.13 4.36 2.47 -1.26 -1.68 114.94 118.23 1pp3 s ASN 40 Ca 0.36 -0.55 -0.00 0.00 0.42 0.00 0.00 52.86 53.08 1pp3 s ASN 40 Cb 0.08 -1.37 -0.02 0.00 -1.45 0.00 0.00 41.25 38.49 1pp3 s ASN 40 CO 0.15 0.13 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.84 1pp3 s VAL 41 N 0.50 3.11 0.42 -5.21 1.01 0.10 -4.19 120.40 116.13 1pp3 s VAL 41 Ca -0.15 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 1pp3 s VAL 41 Cb -0.17 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 1pp3 s VAL 41 CO 0.06 0.53 1.37 -1.61 0.00 0.00 0.00 175.10 175.44 1pp3 s GLU 42 N 0.28 3.90 0.59 2.72 0.41 -1.26 -0.88 118.70 124.46 1pp3 s GLU 42 Ca -0.09 2.31 -0.19 0.00 -0.41 0.00 0.00 54.97 56.58 1pp3 s GLU 42 Cb -0.16 -2.76 -0.03 0.00 -1.78 0.00 0.00 34.13 29.40 1pp3 s GLU 42 CO 0.05 -0.61 1.24 -1.25 -0.49 0.00 0.00 175.26 174.20 1pp3 s PRO 43 N -2.28 2.94 0.00 0.39 0.04 -1.26 -2.69 135.00 132.14 1pp3 s PRO 43 Ca 0.58 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1pp3 s PRO 43 Cb -0.41 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1pp3 s PRO 43 CO 0.54 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1pp3 n GLY 44 N 0.60 1.08 3.69 0.56 0.00 -1.20 -5.00 105.19 104.92 1pp3 n GLY 44 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1pp3 n GLY 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pp3 n THR 45 N -2.00 0.41 -4.67 2.61 -1.04 -1.09 -4.72 114.28 103.78 1pp3 n THR 45 Ca 0.00 -0.07 -0.33 0.00 -2.04 0.00 0.00 64.05 61.60 1pp3 n THR 45 Cb 0.00 -2.17 -0.12 0.00 -1.82 0.00 0.00 70.33 66.22 1pp3 n THR 45 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1pp3 s ASN 46 N 2.92 4.43 -0.85 8.00 0.02 -1.26 -0.49 114.94 127.71 1pp3 s ASN 46 Ca 0.82 -0.14 -0.01 0.00 -1.02 0.00 0.00 52.86 52.52 1pp3 s ASN 46 Cb -0.46 -1.31 0.00 0.00 0.02 0.00 0.00 41.25 39.50 1pp3 s ASN 46 CO 0.37 0.28 0.15 0.61 0.02 0.00 0.00 177.10 178.54 1pp3 n GLY 47 N 2.74 -0.00 3.81 0.66 0.00 -1.21 -4.94 105.19 106.24 1pp3 n GLY 47 Ca -0.18 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.68 2.47 -0.02 -0.02 0.00 -0.31 -4.48 107.32 102.27 1pp3 s GLY 48 Ca 0.08 0.46 -0.05 0.00 0.00 0.00 0.00 44.72 45.20 1pp3 s GLY 48 CO 0.09 0.77 0.12 0.54 0.00 0.00 0.00 173.10 174.62 1pp3 s LYS 49 N -3.05 0.33 -0.04 2.90 1.02 0.27 -1.44 119.74 119.72 1pp3 s LYS 49 Ca 0.62 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 56.47 1pp3 s LYS 49 Cb -0.12 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 1pp3 s LYS 49 CO 0.16 -0.07 -0.13 0.42 -0.92 0.00 0.00 175.35 174.81 1pp3 s ILE 50 N -0.77 1.14 0.25 2.17 1.01 -0.35 -1.59 121.20 123.06 1pp3 s ILE 50 Ca -0.09 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 1pp3 s ILE 50 Cb -0.05 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 1pp3 s ILE 50 CO 0.01 0.34 0.46 -1.66 0.00 0.00 0.00 174.94 174.09 1pp3 s TRP 51 N 0.27 0.44 0.09 3.97 -2.14 -0.76 -1.63 118.94 119.17 1pp3 s TRP 51 Ca -0.07 -0.79 0.04 0.00 2.66 0.00 0.00 56.10 57.94 1pp3 s TRP 51 Cb -0.12 0.14 -0.04 0.00 -3.10 0.00 0.00 33.47 30.35 1pp3 s TRP 51 CO 0.02 -0.98 0.05 0.00 -2.66 0.00 0.00 176.95 173.38 1pp3 s ALA 52 N -3.97 3.46 -0.04 2.67 0.00 -1.26 -1.02 121.76 121.60 1pp3 s ALA 52 Ca 0.24 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.19 1pp3 s ALA 52 Cb -0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1pp3 s ALA 52 CO 0.10 0.72 -0.19 1.03 0.00 0.00 0.00 175.76 177.42 1pp3 s ARG 53 N -2.39 1.88 0.20 0.00 0.52 -0.65 -4.62 118.95 113.88 1pp3 s ARG 53 Ca 0.28 -0.70 0.10 0.00 -0.52 0.00 0.00 55.73 54.90 1pp3 s ARG 53 Cb -0.12 -1.67 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 1pp3 s ARG 53 CO 0.21 0.32 -0.15 0.95 0.02 0.00 0.00 175.30 176.65 1pp3 s THR 54 N -0.15 2.84 -0.76 0.02 -4.23 -1.21 -0.63 115.64 111.53 1pp3 s THR 54 Ca -0.00 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 58.62 1pp3 s THR 54 Cb -0.11 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1pp3 s THR 54 CO 0.02 -0.14 0.64 0.47 -0.54 0.00 0.00 174.62 175.07 1pp3 n ASP 55 N 0.04 -6.13 -4.61 3.99 8.00 -1.26 -1.81 116.55 114.77 1pp3 n ASP 55 Ca -0.11 -0.52 -0.23 0.00 0.71 0.00 0.00 54.79 54.64 1pp3 n ASP 55 Cb 0.56 -3.20 -0.08 0.00 -0.02 0.00 0.00 41.12 38.39 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 -2.38 -0.19 0.01 0.00 5.04 -0.50 -4.99 117.35 114.35 1pp3 s TYR 57 Ca 0.32 0.58 0.04 0.00 -2.44 0.00 0.00 57.07 55.57 1pp3 s TYR 57 Cb -0.05 -0.17 -0.01 0.00 0.35 0.00 0.00 41.96 42.07 1pp3 s TYR 57 CO 0.19 -0.23 -0.13 -0.06 -1.34 0.00 0.00 175.55 173.98 1pp3 s PHE 58 N 1.81 1.16 0.17 4.97 0.08 -1.26 -1.49 117.98 123.43 1pp3 s PHE 58 Ca -0.02 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 1pp3 s PHE 58 Cb -0.12 -0.72 0.04 0.00 -0.57 0.00 0.00 43.02 41.64 1pp3 s PHE 58 CO -0.06 0.00 0.23 -0.40 -0.10 0.00 0.00 175.22 174.89 1pp3 n ASP 59 N 2.41 0.17 -0.02 1.36 5.68 0.09 -4.92 116.55 121.31 1pp3 n ASP 59 Ca -0.16 -1.18 0.01 0.00 -0.50 0.00 0.00 54.79 52.96 1pp3 n ASP 59 Cb 0.55 -0.16 0.31 0.00 -1.14 0.00 0.00 41.12 40.68 1pp3 n ASP 59 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1pp3 h ASP 60 N -0.22 0.53 0.73 -1.12 2.03 -2.02 -2.24 116.42 114.11 1pp3 h ASP 60 Ca -0.08 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.15 1pp3 h ASP 60 Cb 0.25 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 1pp3 h ASP 60 CO 0.07 0.53 0.00 -1.54 -1.03 0.00 0.00 179.24 177.27 1pp3 n SER 61 N -4.33 0.00 0.00 4.15 3.41 -1.26 -4.87 113.62 110.72 1pp3 n SER 61 Ca 0.02 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1pp3 n SER 61 Cb 0.19 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1pp3 n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pp3 n GLY 62 N 0.68 0.76 3.76 5.00 0.00 -0.84 -5.01 105.19 109.53 1pp3 n GLY 62 Ca 0.05 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1pp3 n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pp3 s SER 63 N -2.25 5.65 0.00 1.61 0.15 -1.26 -1.40 113.70 116.21 1pp3 s SER 63 Ca 0.00 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1pp3 s SER 63 Cb 0.00 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 1pp3 s SER 63 CO 0.00 0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.41 1pp3 n GLY 64 N 1.86 -0.92 3.50 9.45 0.00 0.04 -0.73 105.19 118.38 1pp3 n GLY 64 Ca -0.18 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 1pp3 n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pp3 s ILE 65 N -4.00 0.01 0.18 -0.61 1.10 -0.56 -4.36 121.20 112.97 1pp3 s ILE 65 Ca 0.00 -0.05 0.11 0.00 -0.51 0.00 0.00 60.65 60.21 1pp3 s ILE 65 Cb 0.00 -0.95 -0.04 0.00 0.15 0.00 0.00 42.46 41.61 1pp3 s ILE 65 CO 0.00 -0.03 -0.24 0.00 -2.11 0.00 0.00 174.94 172.56 1pp3 h LYS 67 N 3.32 0.00 -3.77 0.00 1.57 -0.53 -3.40 116.57 113.76 1pp3 h LYS 67 Ca -0.47 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.11 1pp3 h LYS 67 Cb 1.20 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.26 1pp3 h LYS 67 CO 0.46 0.26 -0.68 0.95 -0.57 0.00 0.00 179.45 179.88 1pp3 s THR 68 N -3.17 0.05 -0.92 -0.16 -4.23 -1.19 -4.67 115.64 101.34 1pp3 s THR 68 Ca 0.05 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1pp3 s THR 68 Cb 0.07 -0.15 0.00 0.00 1.34 0.00 0.00 72.50 73.76 1pp3 s THR 68 CO 0.70 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 1pp3 n GLY 69 N 2.42 0.99 3.71 3.99 0.00 -0.23 -3.30 105.19 112.77 1pp3 n GLY 69 Ca -0.17 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.30 3.10 -3.95 1.61 2.03 -1.26 -3.86 116.55 113.92 1pp3 n ASP 70 Ca -0.09 1.18 -0.30 0.00 0.52 0.00 0.00 54.79 56.11 1pp3 n ASP 70 Cb 0.39 -1.51 -0.12 0.00 -0.72 0.00 0.00 41.12 39.16 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 2.49 0.78 2.31 0.00 0.00 -1.26 -2.30 105.19 107.22 1pp3 n GLY 72 Ca 0.14 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.72 0.34 3.49 -0.02 0.00 -1.26 -4.97 105.19 102.04 1pp3 n GLY 73 Ca -0.22 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.76 2.71 -0.01 0.99 1.43 -0.97 -0.78 118.68 118.29 1pp3 s LEU 74 Ca 0.00 -0.54 -0.24 0.00 -1.03 0.00 0.00 54.13 52.32 1pp3 s LEU 74 Cb 0.00 -1.56 -0.19 0.00 0.03 0.00 0.00 46.19 44.47 1pp3 s LEU 74 CO 0.00 0.18 1.22 0.25 0.23 0.00 0.00 176.35 178.23 1pp3 h LEU 75 N 3.79 0.20 -8.20 1.79 5.85 -1.56 -3.40 115.31 113.78 1pp3 h LEU 75 Ca -0.50 -0.57 -0.66 0.00 0.84 0.00 0.00 57.88 56.99 1pp3 h LEU 75 Cb 1.17 -0.06 -0.16 0.00 0.37 0.00 0.00 40.66 41.98 1pp3 h LEU 75 CO 0.46 0.74 0.45 -0.13 -0.34 0.00 0.00 178.44 179.62 1pp3 s ARG 76 N -3.92 3.13 0.23 1.25 0.52 -1.26 -3.94 118.95 114.97 1pp3 s ARG 76 Ca -0.15 -1.06 -0.31 0.00 -0.52 0.00 0.00 55.73 53.69 1pp3 s ARG 76 Cb 0.03 -4.30 -0.11 0.00 0.52 0.00 0.00 34.95 31.09 1pp3 s ARG 76 CO 0.72 -1.74 1.56 0.00 0.02 0.00 0.00 175.30 175.87 1pp3 n LYS 78 N 2.98 5.01 -4.42 0.00 5.02 -1.26 -4.07 118.16 121.42 1pp3 n LYS 78 Ca 0.10 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.18 1pp3 n LYS 78 Cb 0.38 -0.63 -0.09 0.00 -0.02 0.00 0.00 35.03 34.67 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 -1.25 1.69 0.72 1.97 1.81 -1.26 -2.22 118.95 120.40 1pp3 s ARG 79 Ca 0.00 -1.97 -0.11 0.00 -1.72 0.00 0.00 55.73 51.93 1pp3 s ARG 79 Cb 0.00 -0.47 0.02 0.00 -0.45 0.00 0.00 34.95 34.05 1pp3 s ARG 79 CO 0.00 -0.37 1.07 -0.06 -0.68 0.00 0.00 175.30 175.26 1pp3 s PHE 80 N -3.43 2.93 0.32 -0.53 0.08 -1.26 -4.79 117.98 111.30 1pp3 s PHE 80 Ca 0.32 1.47 -0.08 0.00 0.12 0.00 0.00 56.93 58.76 1pp3 s PHE 80 Cb 0.06 -2.94 -0.06 0.00 -0.57 0.00 0.00 43.02 39.51 1pp3 s PHE 80 CO 0.15 -1.42 0.64 0.20 -0.10 0.00 0.00 175.22 174.69 1pp3 s GLY 81 N -3.64 1.98 0.08 4.36 0.00 -1.26 -4.59 107.32 104.25 1pp3 s GLY 81 Ca 0.59 -0.36 -0.31 0.00 0.00 0.00 0.00 44.72 44.65 1pp3 s GLY 81 CO 0.55 -0.21 1.28 -1.60 0.00 0.00 0.00 173.10 173.12 1pp3 s ARG 82 N -3.49 4.38 0.85 2.90 3.52 0.12 -4.83 118.95 122.40 1pp3 s ARG 82 Ca 0.48 1.89 -0.12 0.00 -0.13 0.00 0.00 55.73 57.84 1pp3 s ARG 82 Cb -0.11 -3.32 0.10 0.00 -1.56 0.00 0.00 34.95 30.06 1pp3 s ARG 82 CO 0.28 -0.34 1.13 -2.30 -0.81 0.00 0.00 175.30 173.26 1pp3 n PRO 83 N 4.02 -0.03 -2.90 5.12 -0.02 -1.26 -1.06 135.00 138.88 1pp3 n PRO 83 Ca 0.10 0.07 -0.40 0.00 -2.02 0.00 0.00 63.50 61.25 1pp3 n PRO 83 Cb 0.45 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 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 -4.20 4.60 -0.14 0.52 0.04 -1.26 -4.64 135.00 129.91 1pp3 s PRO 84 Ca 0.71 1.23 -0.05 0.00 0.04 0.00 0.00 61.00 62.92 1pp3 s PRO 84 Cb -0.27 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 31.01 1pp3 s PRO 84 CO 0.54 0.37 0.28 0.95 0.04 0.00 0.00 177.00 179.18 1pp3 s THR 85 N -0.44 -0.44 0.18 1.26 -4.23 -0.61 -4.07 115.64 107.29 1pp3 s THR 85 Ca 0.40 0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 60.85 1pp3 s THR 85 Cb -0.22 -0.49 -0.09 0.00 1.34 0.00 0.00 72.50 73.04 1pp3 s THR 85 CO 0.26 0.09 1.32 -0.89 -0.54 0.00 0.00 174.62 174.87 1pp3 s THR 86 N 2.44 3.23 -0.09 3.99 2.01 -1.23 -4.37 115.64 121.61 1pp3 s THR 86 Ca 0.02 0.98 0.04 0.00 0.31 0.00 0.00 61.69 63.03 1pp3 s THR 86 Cb -0.12 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1pp3 s THR 86 CO -0.09 0.13 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.99 1pp3 s LEU 87 N 0.11 2.22 -0.32 4.42 1.43 -0.81 -4.51 118.68 121.22 1pp3 s LEU 87 Ca 0.58 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 1pp3 s LEU 87 Cb -0.37 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1pp3 s LEU 87 CO 0.37 0.18 0.33 0.00 0.23 0.00 0.00 176.35 177.46 1pp3 s ALA 88 N 0.21 3.52 -0.02 4.21 0.00 -0.65 -1.12 121.76 127.90 1pp3 s ALA 88 Ca -0.14 -1.12 0.06 0.00 0.00 0.00 0.00 51.96 50.76 1pp3 s ALA 88 Cb -0.17 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 1pp3 s ALA 88 CO 0.07 -0.89 -0.19 -1.21 0.00 0.00 0.00 175.76 173.54 1pp3 s GLU 89 N 1.96 2.29 -0.12 0.00 2.02 0.09 -1.21 118.70 123.72 1pp3 s GLU 89 Ca 0.11 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 54.10 1pp3 s GLU 89 Cb -0.16 -2.23 0.04 0.00 0.10 0.00 0.00 34.13 31.88 1pp3 s GLU 89 CO 0.11 0.59 0.45 -0.59 0.02 0.00 0.00 175.26 175.84 1pp3 s PHE 90 N -0.72 -0.45 -0.10 1.61 -0.71 -0.52 -1.24 117.98 115.85 1pp3 s PHE 90 Ca 0.11 1.00 0.00 0.00 -1.04 0.00 0.00 56.93 57.01 1pp3 s PHE 90 Cb -0.10 0.18 0.02 0.00 -1.21 0.00 0.00 43.02 41.91 1pp3 s PHE 90 CO 0.01 -0.31 -0.08 -1.12 -1.34 0.00 0.00 175.22 172.37 1pp3 s SER 91 N -0.26 2.07 0.07 1.98 0.01 -0.57 -1.16 113.70 115.85 1pp3 s SER 91 Ca -0.04 -0.29 0.03 0.00 1.31 0.00 0.00 55.95 56.95 1pp3 s SER 91 Cb -0.03 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 1pp3 s SER 91 CO 0.02 -0.09 0.09 -0.76 0.41 0.00 0.00 173.24 172.91 1pp3 s LEU 92 N 1.52 3.85 -1.30 2.44 1.43 0.36 -0.83 118.68 126.16 1pp3 s LEU 92 Ca 0.01 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1pp3 s LEU 92 Cb -0.13 -2.50 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 1pp3 s LEU 92 CO -0.06 0.18 0.63 0.59 0.23 0.00 0.00 176.35 177.92 1pp3 n ASN 93 N 0.50 -1.79 -4.38 2.29 3.02 -1.09 -3.26 115.26 110.55 1pp3 n ASN 93 Ca -0.09 -0.91 -0.44 0.00 -0.03 0.00 0.00 54.58 53.11 1pp3 n ASN 93 Cb 0.52 -3.67 -0.08 0.00 -0.61 0.00 0.00 39.78 35.94 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 -6.10 2.97 -1.50 3.52 -1.52 0.61 -4.33 119.66 113.31 1pp3 s GLN 94 Ca 0.10 -1.36 -0.13 0.00 -1.95 0.00 0.00 55.36 52.02 1pp3 s GLN 94 Cb -0.03 -4.13 0.07 0.00 -0.22 0.00 0.00 33.01 28.71 1pp3 s GLN 94 CO 0.84 -1.03 0.97 0.66 -0.25 0.00 0.00 175.29 176.48 1pp3 n TYR 95 N 5.19 -2.35 -0.77 0.91 4.01 -1.26 -1.96 117.16 120.93 1pp3 n TYR 95 Ca -0.12 0.88 0.00 0.00 -0.16 0.00 0.00 57.90 58.50 1pp3 n TYR 95 Cb 0.44 -4.08 0.00 0.00 -0.31 0.00 0.00 39.34 35.38 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 -1.70 0.78 3.19 2.72 0.00 -1.26 -5.04 105.19 103.88 1pp3 n GLY 96 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.23 0.89 0.09 1.61 -0.14 -0.83 -2.28 119.74 118.85 1pp3 s LYS 97 Ca 0.00 -1.26 0.03 0.00 -1.36 0.00 0.00 55.97 53.38 1pp3 s LYS 97 Cb 0.00 -0.48 -0.04 0.00 -1.68 0.00 0.00 37.83 35.63 1pp3 s LYS 97 CO 0.00 0.06 0.10 -0.51 -0.76 0.00 0.00 175.35 174.23 1pp3 s ASP 98 N -2.74 5.59 -0.11 2.83 1.01 0.53 -0.28 116.67 123.51 1pp3 s ASP 98 Ca 0.09 -0.00 -0.01 0.00 0.71 0.00 0.00 52.55 53.35 1pp3 s ASP 98 Cb 0.00 -1.52 0.03 0.00 1.01 0.00 0.00 42.92 42.44 1pp3 s ASP 98 CO -0.01 0.16 -0.06 -0.31 0.21 0.00 0.00 175.17 175.16 1pp3 s TYR 99 N -1.44 1.35 0.13 4.23 2.02 -0.01 -0.38 117.35 123.26 1pp3 s TYR 99 Ca 0.30 -0.65 0.09 0.00 -0.37 0.00 0.00 57.07 56.44 1pp3 s TYR 99 Cb -0.12 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 1pp3 s TYR 99 CO 0.23 -0.49 -0.22 0.96 -1.57 0.00 0.00 175.55 174.46 1pp3 s ILE 100 N 1.75 1.91 0.18 2.71 -4.36 -0.64 -1.51 121.20 121.24 1pp3 s ILE 100 Ca 0.05 -1.73 -0.24 0.00 -0.26 0.00 0.00 60.65 58.48 1pp3 s ILE 100 Cb -0.13 -1.77 0.05 0.00 1.25 0.00 0.00 42.46 41.87 1pp3 s ILE 100 CO -0.08 -0.10 0.85 1.51 0.24 0.00 0.00 174.94 177.36 1pp3 s ASP 101 N -2.20 -0.24 -0.03 4.36 1.47 -0.38 -0.46 116.67 119.19 1pp3 s ASP 101 Ca 0.12 -0.42 0.07 0.00 1.18 0.00 0.00 52.55 53.50 1pp3 s ASP 101 Cb -0.09 0.57 -0.02 0.00 -0.34 0.00 0.00 42.92 43.04 1pp3 s ASP 101 CO 0.06 -1.04 -0.24 -0.63 0.68 0.00 0.00 175.17 174.00 1pp3 s ILE 102 N -3.52 2.18 -0.01 2.11 1.01 -1.26 -0.74 121.20 120.98 1pp3 s ILE 102 Ca 0.11 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1pp3 s ILE 102 Cb -0.03 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 1pp3 s ILE 102 CO 0.02 0.58 -0.14 -0.55 0.00 0.00 0.00 174.94 174.85 1pp3 s SER 103 N -0.56 1.65 -0.03 3.58 0.15 -0.27 -1.90 113.70 116.32 1pp3 s SER 103 Ca 0.08 -0.25 0.10 0.00 0.70 0.00 0.00 55.95 56.57 1pp3 s SER 103 Cb -0.11 -0.19 0.27 0.00 -1.71 0.00 0.00 66.02 64.29 1pp3 s SER 103 CO -0.00 0.17 1.22 0.59 1.20 0.00 0.00 173.24 176.42 1pp3 n ASN 104 N 2.75 2.84 0.17 5.45 5.03 0.30 -1.92 115.26 129.88 1pp3 n ASN 104 Ca -0.14 -2.20 0.07 0.00 0.87 0.00 0.00 54.58 53.18 1pp3 n ASN 104 Cb 0.55 -0.24 0.57 0.00 -1.02 0.00 0.00 39.78 39.65 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 1.46 1.03 -0.61 2.41 2.04 -1.76 -1.24 117.51 120.84 1pp3 h ILE 105 Ca 0.00 -0.06 -0.31 0.00 1.00 0.00 0.00 64.86 65.49 1pp3 h ILE 105 Cb 0.80 0.84 -0.19 0.00 -0.74 0.00 0.00 36.82 37.53 1pp3 h ILE 105 CO 0.03 0.03 0.20 0.29 0.00 0.00 0.00 178.15 178.71 1pp3 n LYS 106 N -4.52 2.01 0.00 2.37 4.76 -1.26 -4.76 118.16 116.76 1pp3 n LYS 106 Ca -0.01 -3.13 0.00 0.00 -2.87 0.00 0.00 58.31 52.31 1pp3 n LYS 106 Cb 0.09 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.32 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 -1.13 -2.56 2.90 0.72 0.00 -0.47 -1.57 105.19 103.08 1pp3 n GLY 107 Ca 0.44 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.46 -0.07 0.00 1.61 2.19 -0.51 -3.52 117.98 117.22 1pp3 s PHE 108 Ca 0.00 0.25 0.00 0.00 0.33 0.00 0.00 56.93 57.51 1pp3 s PHE 108 Cb 0.00 -0.06 0.00 0.00 -1.31 0.00 0.00 43.02 41.65 1pp3 s PHE 108 CO 0.00 -0.08 0.00 0.27 1.83 0.00 0.00 175.22 177.24 1pp3 n ASN 109 N 3.59 1.93 -4.03 6.13 2.04 -1.26 -0.62 115.26 123.05 1pp3 n ASN 109 Ca -0.19 0.00 -0.19 0.00 -0.44 0.00 0.00 54.58 53.76 1pp3 n ASN 109 Cb 0.55 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.66 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 -1.62 0.76 0.49 3.53 1.01 -1.26 -4.81 120.40 118.49 1pp3 s VAL 110 Ca 0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 1pp3 s VAL 110 Cb 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 1pp3 s VAL 110 CO 0.00 0.22 1.24 -2.16 0.00 0.00 0.00 175.10 174.39 1pp3 s PRO 111 N -0.17 3.54 -0.01 2.72 0.04 -1.26 -4.67 135.00 135.20 1pp3 s PRO 111 Ca 0.03 1.95 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1pp3 s PRO 111 Cb -0.04 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.15 1pp3 s PRO 111 CO -0.00 -0.78 0.23 1.41 0.04 0.00 0.00 177.00 177.90 1pp3 s MET 112 N -2.76 0.59 -0.05 4.56 1.75 -0.72 -0.65 119.30 122.02 1pp3 s MET 112 Ca 0.66 -0.29 0.05 0.00 -1.25 0.00 0.00 55.69 54.86 1pp3 s MET 112 Cb -0.33 0.25 -0.00 0.00 2.84 0.00 0.00 34.83 37.59 1pp3 s MET 112 CO 0.40 -0.15 -0.18 1.21 -0.65 0.00 0.00 175.02 175.64 1pp3 s ASN 113 N -1.36 2.31 -0.28 1.11 2.47 -0.15 -1.24 114.94 117.80 1pp3 s ASN 113 Ca -0.14 -0.38 -0.01 0.00 0.42 0.00 0.00 52.86 52.75 1pp3 s ASN 113 Cb -0.06 -0.65 0.09 0.00 -1.45 0.00 0.00 41.25 39.17 1pp3 s ASN 113 CO 0.03 0.17 0.06 0.12 -3.72 0.00 0.00 177.10 173.75 1pp3 s PHE 114 N 0.02 1.83 0.11 0.43 5.36 0.05 -0.69 117.98 125.08 1pp3 s PHE 114 Ca -0.04 -1.65 0.04 0.00 -0.96 0.00 0.00 56.93 54.32 1pp3 s PHE 114 Cb -0.12 -1.64 -0.04 0.00 -0.34 0.00 0.00 43.02 40.88 1pp3 s PHE 114 CO 0.03 -0.81 -0.10 -1.12 -1.46 0.00 0.00 175.22 171.75 1pp3 s SER 115 N 1.58 1.54 0.54 6.13 0.01 -0.80 -1.01 113.70 121.69 1pp3 s SER 115 Ca 0.05 -0.86 -0.15 0.00 1.31 0.00 0.00 55.95 56.30 1pp3 s SER 115 Cb -0.18 0.00 -0.07 0.00 0.21 0.00 0.00 66.02 65.99 1pp3 s SER 115 CO -0.17 -0.27 1.00 -2.16 0.41 0.00 0.00 173.24 172.04 1pp3 s PRO 116 N -2.99 3.86 0.00 12.44 0.04 -1.26 -0.68 135.00 146.41 1pp3 s PRO 116 Ca 0.08 0.91 0.17 0.00 0.04 0.00 0.00 61.00 62.19 1pp3 s PRO 116 Cb -0.02 -2.12 0.07 0.00 0.04 0.00 0.00 34.50 32.47 1pp3 s PRO 116 CO 0.00 -0.34 0.96 0.25 0.04 0.00 0.00 177.00 177.90 1pp3 n THR 117 N -1.87 0.00 -4.02 1.26 -2.24 0.72 -4.78 114.28 103.36 1pp3 n THR 117 Ca 0.06 -0.42 -0.24 0.00 -2.27 0.00 0.00 64.05 61.18 1pp3 n THR 117 Cb 0.54 1.28 -0.06 0.00 -2.10 0.00 0.00 70.33 69.99 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 -1.66 2.29 0.63 4.28 -4.23 -1.24 -4.97 115.64 110.74 1pp3 s THR 118 Ca 0.17 -1.62 -0.10 0.00 -1.18 0.00 0.00 61.69 58.96 1pp3 s THR 118 Cb 0.14 -2.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 1pp3 s THR 118 CO 0.31 0.00 1.01 -0.13 -0.54 0.00 0.00 174.62 175.26 1pp3 s ARG 119 N -3.98 3.29 0.00 3.99 0.52 -1.26 -4.62 118.95 116.90 1pp3 s ARG 119 Ca 0.41 0.51 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 1pp3 s ARG 119 Cb 0.02 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1pp3 s ARG 119 CO 0.23 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.28 1pp3 n GLY 120 N -2.75 1.85 3.80 -3.53 0.00 -1.26 -4.73 105.19 98.57 1pp3 n GLY 120 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.94 2.47 0.60 0.00 1.04 -1.26 -4.81 118.95 114.05 1pp3 s ARG 122 Ca 0.15 -1.61 0.10 0.00 -1.04 0.00 0.00 55.73 53.34 1pp3 s ARG 122 Cb -0.02 -2.30 0.10 0.00 -2.04 0.00 0.00 34.95 30.68 1pp3 s ARG 122 CO 0.05 -0.20 0.83 0.20 -0.04 0.00 0.00 175.30 176.13 1pp3 s GLY 123 N -4.10 1.69 0.13 3.88 0.00 -1.26 -4.66 107.32 103.00 1pp3 s GLY 123 Ca 0.47 -2.22 0.07 0.00 0.00 0.00 0.00 44.72 43.03 1pp3 s GLY 123 CO 0.27 -1.72 -0.16 -1.34 0.00 0.00 0.00 173.10 170.15 1pp3 s VAL 124 N -2.72 1.51 -0.08 1.40 -7.23 -0.18 -4.98 120.40 108.13 1pp3 s VAL 124 Ca 0.63 -1.72 -0.16 0.00 -1.81 0.00 0.00 61.98 58.92 1pp3 s VAL 124 Cb -0.05 -1.59 0.04 0.00 0.56 0.00 0.00 36.38 35.34 1pp3 s VAL 124 CO 0.40 -0.32 0.40 -0.60 -0.31 0.00 0.00 175.10 174.66 1pp3 s ARG 125 N -2.53 0.62 -0.36 4.82 3.52 -1.26 -0.77 118.95 122.99 1pp3 s ARG 125 Ca 0.10 0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.92 1pp3 s ARG 125 Cb -0.06 0.29 0.14 0.00 -1.56 0.00 0.00 34.95 33.76 1pp3 s ARG 125 CO 0.04 -0.14 0.27 0.00 -0.81 0.00 0.00 175.30 174.66 1pp3 n ALA 127 N 4.14 3.16 -1.79 0.00 0.00 -1.26 -1.75 120.51 123.01 1pp3 n ALA 127 Ca 0.11 -3.01 -0.32 0.00 0.00 0.00 0.00 53.44 50.22 1pp3 n ALA 127 Cb 0.40 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.91 2.97 -1.36 0.00 0.00 -1.26 -4.92 121.76 114.28 1pp3 s ALA 128 Ca 0.35 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.38 1pp3 s ALA 128 Cb 0.34 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 1pp3 s ALA 128 CO -0.04 -0.46 2.31 -3.47 0.00 0.00 0.00 175.76 174.09 1pp3 n ASP 129 N -1.87 4.59 -0.04 0.00 2.03 -1.26 -4.65 116.55 115.36 1pp3 n ASP 129 Ca 0.07 -2.75 -0.05 0.00 0.52 0.00 0.00 54.79 52.59 1pp3 n ASP 129 Cb 0.54 -1.54 0.16 0.00 -0.72 0.00 0.00 41.12 39.56 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 3.87 1.26 -0.36 5.18 2.04 -1.96 -2.64 117.51 124.90 1pp3 h ILE 130 Ca 0.60 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1pp3 h ILE 130 Cb 0.56 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1pp3 h ILE 130 CO 1.86 0.41 0.03 0.58 0.00 0.00 0.00 178.15 181.04 1pp3 h VAL 131 N 0.55 1.25 0.00 1.67 2.07 -1.91 0.14 116.25 120.02 1pp3 h VAL 131 Ca 0.08 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1pp3 h VAL 131 Cb 0.67 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1pp3 h VAL 131 CO 0.05 0.30 -0.31 1.23 0.02 0.00 0.00 177.57 178.86 1pp3 h GLY 132 N 0.44 0.00 -2.00 2.17 0.00 -1.93 -2.72 103.07 99.03 1pp3 h GLY 132 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1pp3 h GLY 132 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 1pp3 n GLN 133 N -3.91 2.34 -1.67 4.80 6.02 -1.00 -5.00 117.38 118.95 1pp3 n GLN 133 Ca -0.02 -2.14 -0.46 0.00 -0.01 0.00 0.00 57.00 54.38 1pp3 n GLN 133 Cb 0.38 -1.44 -0.04 0.00 1.02 0.00 0.00 30.24 30.16 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 3.18 1.69 -0.18 0.00 -0.02 -1.26 -4.78 135.00 133.62 1pp3 n PRO 135 Ca 0.16 0.61 -0.03 0.00 -2.02 0.00 0.00 63.50 62.23 1pp3 n PRO 135 Cb 0.29 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.35 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 1.56 0.22 0.00 3.55 0.00 -1.98 -0.37 119.26 122.24 1pp3 h ALA 136 Ca -0.49 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1pp3 h ALA 136 Cb 1.31 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1pp3 h ALA 136 CO 0.57 -0.52 0.00 0.87 0.00 0.00 0.00 179.25 180.17 1pp3 h LYS 137 N -0.08 0.00 0.00 0.00 1.57 -2.03 -2.74 116.57 113.29 1pp3 h LYS 137 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1pp3 h LYS 137 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1pp3 h LYS 137 CO -0.61 0.00 -0.92 1.28 -0.57 0.00 0.00 179.45 178.63 1pp3 n LEU 138 N -2.85 0.68 -4.71 2.94 4.77 -0.20 -4.95 117.00 112.70 1pp3 n LEU 138 Ca -0.00 -0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.38 1pp3 n LEU 138 Cb 0.19 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1pp3 n LEU 138 CO 0.22 0.13 1.32 0.29 -1.33 0.00 0.00 177.39 178.02 1pp3 n LYS 139 N -1.71 2.62 -3.48 3.23 5.02 -0.89 -1.06 118.16 121.89 1pp3 n LYS 139 Ca 0.03 0.94 -0.37 0.00 -2.02 0.00 0.00 58.31 56.89 1pp3 n LYS 139 Cb 0.38 -2.77 -0.08 0.00 -0.02 0.00 0.00 35.03 32.55 1pp3 n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pp3 s ALA 140 N 1.03 3.58 0.26 7.82 0.00 -0.82 -4.85 121.76 128.77 1pp3 s ALA 140 Ca 0.75 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1pp3 s ALA 140 Cb -0.55 -2.51 0.50 0.00 0.00 0.00 0.00 23.12 20.56 1pp3 s ALA 140 CO 0.35 -0.17 1.78 -1.35 0.00 0.00 0.00 175.76 176.37 1pp3 h PRO 141 N 7.20 0.70 0.00 0.00 0.11 -1.93 0.14 132.00 138.22 1pp3 h PRO 141 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1pp3 h PRO 141 Cb 1.16 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1pp3 h PRO 141 CO 0.72 0.46 0.00 0.41 -0.21 0.00 0.00 178.00 179.38 1pp3 n GLY 142 N -1.32 -1.11 0.00 -0.55 0.00 -1.26 -4.98 105.19 95.97 1pp3 n GLY 142 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.94 3.10 0.00 -0.02 0.00 0.50 -4.66 105.19 105.05 1pp3 n GLY 143 Ca 0.14 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.43 -0.45 3.01 -0.02 0.00 -1.26 -4.52 105.19 101.52 1pp3 n GLY 144 Ca 0.00 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 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 1.21 4.63 0.51 0.00 0.01 -0.22 -1.43 114.94 119.64 1pp3 s ASN 146 Ca -0.07 1.98 -0.06 0.00 -0.71 0.00 0.00 52.86 54.00 1pp3 s ASN 146 Cb -0.19 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 38.89 1pp3 s ASN 146 CO -0.06 -1.96 0.83 1.51 -1.51 0.00 0.00 177.10 175.92 1pp3 s ASP 147 N -2.85 6.15 0.21 -1.22 -4.77 -1.26 -4.81 116.67 108.12 1pp3 s ASP 147 Ca 0.65 0.95 -0.09 0.00 -3.30 0.00 0.00 52.55 50.77 1pp3 s ASP 147 Cb -0.20 -2.19 0.25 0.00 -1.09 0.00 0.00 42.92 39.69 1pp3 s ASP 147 CO 0.49 -0.69 1.81 0.00 0.70 0.00 0.00 175.17 177.47 1pp3 h ALA 148 N 0.10 0.90 -0.27 2.11 0.00 -1.91 -2.71 119.26 117.47 1pp3 h ALA 148 Ca -0.46 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1pp3 h ALA 148 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1pp3 h ALA 148 CO 0.62 0.05 0.17 0.00 0.00 0.00 0.00 179.25 180.08 1pp3 h THR 150 N 0.35 1.08 0.15 0.00 2.02 -1.87 0.34 112.91 114.97 1pp3 h THR 150 Ca 0.10 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1pp3 h THR 150 Cb 0.00 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.28 1pp3 h THR 150 CO -0.02 0.20 -0.07 0.58 0.37 0.00 0.00 175.52 176.58 1pp3 h VAL 151 N 1.11 0.77 0.00 3.16 2.07 -1.16 -3.39 116.25 118.80 1pp3 h VAL 151 Ca 0.42 -1.17 -0.14 0.00 0.82 0.00 0.00 66.70 66.62 1pp3 h VAL 151 Cb 0.19 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1pp3 h VAL 151 CO -0.16 0.21 -1.60 0.49 0.02 0.00 0.00 177.57 176.53 1pp3 n PHE 152 N -4.90 0.65 -3.84 1.57 3.72 -0.51 -5.00 117.46 109.15 1pp3 n PHE 152 Ca -0.07 0.21 -0.27 0.00 -0.05 0.00 0.00 57.45 57.27 1pp3 n PHE 152 Cb 0.25 -0.94 0.03 0.00 -0.94 0.00 0.00 39.48 37.87 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 -2.71 -5.16 -4.34 -1.08 6.02 0.12 -4.99 117.38 105.23 1pp3 n GLN 153 Ca -0.10 0.59 -0.25 0.00 -0.01 0.00 0.00 57.00 57.23 1pp3 n GLN 153 Cb 0.79 -5.31 -0.09 0.00 1.02 0.00 0.00 30.24 26.64 1pp3 n GLN 153 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1pp3 s THR 154 N -3.48 3.05 0.54 5.09 -4.23 -1.26 -4.99 115.64 110.36 1pp3 s THR 154 Ca 0.37 -1.94 0.21 0.00 -1.18 0.00 0.00 61.69 59.16 1pp3 s THR 154 Cb -0.19 -2.57 0.32 0.00 1.34 0.00 0.00 72.50 71.41 1pp3 s THR 154 CO 0.83 -0.26 2.12 0.77 -0.54 0.00 0.00 174.62 177.54 1pp3 h SER 155 N 2.45 0.00 -0.83 3.99 4.64 -1.94 0.14 113.55 122.00 1pp3 h SER 155 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1pp3 h SER 155 Cb 1.23 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1pp3 h SER 155 CO 0.57 0.00 0.52 -0.08 -0.87 0.00 0.00 176.83 176.97 1pp3 h GLU 156 N 0.00 1.11 0.00 4.77 4.81 -1.95 -1.86 114.58 121.47 1pp3 h GLU 156 Ca 0.07 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 1pp3 h GLU 156 Cb 0.29 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1pp3 h GLU 156 CO -0.00 0.76 -2.04 0.66 -0.73 0.00 0.00 179.01 177.66 1pp3 n TYR 157 N -4.39 0.00 1.27 0.92 4.01 -0.76 -4.47 117.16 113.74 1pp3 n TYR 157 Ca 0.09 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.97 1pp3 n TYR 157 Cb 0.05 -0.69 0.49 0.00 -0.31 0.00 0.00 39.34 38.87 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 -3.44 0.55 -4.51 0.00 -2.24 -1.23 -5.02 114.28 98.39 1pp3 n THR 160 Ca -0.09 -0.78 -0.26 0.00 -2.27 0.00 0.00 64.05 60.66 1pp3 n THR 160 Cb 0.59 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 69.57 1pp3 n THR 160 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1pp3 s THR 161 N -0.97 0.45 -1.99 4.28 -4.23 -1.26 -5.02 115.64 106.90 1pp3 s THR 161 Ca 0.19 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1pp3 s THR 161 Cb 0.11 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1pp3 s THR 161 CO 0.15 0.00 0.91 0.61 -0.54 0.00 0.00 174.62 175.75 1pp3 n GLY 162 N -0.95 -0.89 2.45 3.99 0.00 -1.26 -4.24 105.19 104.28 1pp3 n GLY 162 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.49 0.55 -4.11 1.61 5.02 -1.26 -5.09 118.16 114.39 1pp3 n LYS 163 Ca 0.00 -3.42 -0.23 0.00 -2.02 0.00 0.00 58.31 52.64 1pp3 n LYS 163 Cb 0.00 -1.73 -0.17 0.00 -0.02 0.00 0.00 35.03 33.11 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 4.41 4.34 3.76 0.00 0.00 -1.26 -4.91 105.19 111.54 1pp3 n GLY 165 Ca -0.18 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.86 3.35 0.45 1.61 0.04 -1.26 -4.99 135.00 133.33 1pp3 s PRO 166 Ca 0.00 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.10 1pp3 s PRO 166 Cb 0.00 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1pp3 s PRO 166 CO 0.00 -0.96 0.06 0.95 0.04 0.00 0.00 177.00 177.09 1pp3 s THR 167 N -1.42 0.95 0.33 1.26 -4.23 -1.26 -4.99 115.64 106.28 1pp3 s THR 167 Ca 0.69 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 1pp3 s THR 167 Cb -0.35 -2.33 0.20 0.00 1.34 0.00 0.00 72.50 71.36 1pp3 s THR 167 CO 0.42 0.00 1.92 1.05 -0.54 0.00 0.00 174.62 177.46 1pp3 h GLU 168 N 1.62 0.74 -0.01 3.99 4.11 -1.99 -0.71 114.58 122.33 1pp3 h GLU 168 Ca -0.40 -0.10 -0.23 0.00 0.07 0.00 0.00 59.36 58.70 1pp3 h GLU 168 Cb 1.29 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1pp3 h GLU 168 CO 0.66 0.61 -0.95 1.88 0.07 0.00 0.00 179.01 181.28 1pp3 h TYR 169 N 0.73 0.70 -0.41 2.06 0.05 -2.00 -2.86 116.97 115.24 1pp3 h TYR 169 Ca 0.18 -0.38 -0.13 0.00 0.05 0.00 0.00 58.73 58.45 1pp3 h TYR 169 Cb 0.14 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1pp3 h TYR 169 CO 0.01 1.20 -0.24 0.66 -1.05 0.00 0.00 178.16 178.74 1pp3 h SER 170 N 0.27 0.93 0.13 3.88 4.64 -1.78 -2.64 113.55 118.98 1pp3 h SER 170 Ca -0.09 -0.42 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 1pp3 h SER 170 Cb 1.59 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1pp3 h SER 170 CO 0.17 1.15 -0.08 0.03 -0.87 0.00 0.00 176.83 177.23 1pp3 h ARG 171 N 0.72 0.00 -0.06 4.77 3.08 -1.17 -1.08 114.38 120.64 1pp3 h ARG 171 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1pp3 h ARG 171 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1pp3 h ARG 171 CO 0.07 0.08 0.03 0.35 -1.07 0.00 0.00 179.97 179.43 1pp3 h PHE 172 N 0.00 0.09 -0.47 3.04 3.57 -1.23 0.13 116.94 122.06 1pp3 h PHE 172 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1pp3 h PHE 172 Cb 0.16 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1pp3 h PHE 172 CO 0.00 0.17 -0.08 0.74 -2.23 0.00 0.00 178.31 176.91 1pp3 h PHE 173 N -0.02 0.99 -0.44 0.41 0.04 -1.33 -2.96 116.94 113.63 1pp3 h PHE 173 Ca 0.02 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.51 1pp3 h PHE 173 Cb 0.12 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 1pp3 h PHE 173 CO -0.03 0.96 -0.07 -0.22 -0.60 0.00 0.00 178.31 178.35 1pp3 h LYS 174 N 0.74 0.76 -0.46 1.51 1.63 -1.07 0.12 116.57 119.80 1pp3 h LYS 174 Ca 0.12 -0.23 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 1pp3 h LYS 174 Cb 0.62 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 1pp3 h LYS 174 CO 0.04 0.82 0.17 0.00 -3.45 0.00 0.00 179.45 177.02 1pp3 h ARG 175 N 0.70 0.71 0.03 1.90 -0.00 -0.69 -1.68 114.38 115.34 1pp3 h ARG 175 Ca 0.13 -0.14 -0.22 0.00 -0.50 0.00 0.00 59.98 59.25 1pp3 h ARG 175 Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.38 1pp3 h ARG 175 CO 0.03 0.66 -0.98 -0.07 0.00 0.00 0.00 179.97 179.61 1pp3 h LEU 176 N 0.61 0.25 -6.56 3.04 3.38 -1.36 -3.40 115.31 111.27 1pp3 h LEU 176 Ca 0.15 -0.23 -0.60 0.00 0.09 0.00 0.00 57.88 57.30 1pp3 h LEU 176 Cb 0.23 -0.08 -0.39 0.00 0.09 0.00 0.00 40.66 40.51 1pp3 h LEU 176 CO -0.01 1.08 -0.87 0.00 0.09 0.00 0.00 178.44 178.73 1pp3 h PRO 178 N 5.91 0.00 -0.70 0.00 0.13 -1.53 -2.85 132.00 132.97 1pp3 h PRO 178 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1pp3 h PRO 178 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1pp3 h PRO 178 CO 0.42 0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 177.97 1pp3 n ASP 179 N -3.25 4.00 -4.14 1.44 8.00 -1.26 -4.89 116.55 116.46 1pp3 n ASP 179 Ca -0.01 -2.56 -0.18 0.00 0.71 0.00 0.00 54.79 52.75 1pp3 n ASP 179 Cb 0.20 -0.59 -0.12 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 -2.09 1.04 0.18 2.24 0.00 -1.07 -4.52 121.76 117.54 1pp3 s ALA 180 Ca 0.36 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 51.10 1pp3 s ALA 180 Cb 0.27 -0.09 -0.10 0.00 0.00 0.00 0.00 23.12 23.20 1pp3 s ALA 180 CO 0.12 0.14 1.50 -0.06 0.00 0.00 0.00 175.76 177.46 1pp3 s PHE 181 N -1.18 3.08 -0.18 0.00 0.40 -0.80 -4.82 117.98 114.48 1pp3 s PHE 181 Ca -0.03 0.80 0.18 0.00 -0.60 0.00 0.00 56.93 57.28 1pp3 s PHE 181 Cb -0.09 -3.86 -0.26 0.00 0.51 0.00 0.00 43.02 39.32 1pp3 s PHE 181 CO 0.02 -3.03 0.13 -1.13 0.70 0.00 0.00 175.22 171.90 1pp3 n SER 182 N 3.50 0.03 -3.93 1.36 3.41 -1.26 -0.54 113.62 116.18 1pp3 n SER 182 Ca 0.11 0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.65 1pp3 n SER 182 Cb 0.40 1.07 -0.04 0.00 -0.26 0.00 0.00 64.21 65.37 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 -2.60 0.15 0.23 7.33 1.13 -1.26 -4.44 117.35 117.89 1pp3 s TYR 183 Ca -0.10 -0.54 -0.14 0.00 -1.41 0.00 0.00 57.07 54.88 1pp3 s TYR 183 Cb 0.07 0.35 0.28 0.00 -1.10 0.00 0.00 41.96 41.56 1pp3 s TYR 183 CO 0.84 -1.04 1.58 0.28 -2.51 0.00 0.00 175.55 174.70 1pp3 h VAL 184 N 2.19 0.13 -0.76 -3.49 2.07 -1.94 -1.84 116.25 112.61 1pp3 h VAL 184 Ca -0.25 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.02 1pp3 h VAL 184 Cb 1.25 0.13 -0.15 0.00 -1.52 0.00 0.00 31.29 31.00 1pp3 h VAL 184 CO 0.33 0.00 0.31 0.18 0.02 0.00 0.00 177.57 178.41 1pp3 n LEU 185 N -5.50 6.14 -4.74 2.57 4.77 -1.26 -5.00 117.00 113.98 1pp3 n LEU 185 Ca 0.10 -3.29 -0.35 0.00 -0.03 0.00 0.00 56.01 52.44 1pp3 n LEU 185 Cb 0.40 -0.76 0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1pp3 n LEU 185 CO -0.05 0.85 0.82 -0.62 -1.33 0.00 0.00 177.39 177.05 1pp3 s ASP 186 N -1.11 4.79 0.07 -1.43 2.15 -0.69 -4.89 116.67 115.55 1pp3 s ASP 186 Ca 0.55 2.34 -0.31 0.00 0.43 0.00 0.00 52.55 55.56 1pp3 s ASP 186 Cb 0.45 -2.59 -0.10 0.00 -0.30 0.00 0.00 42.92 40.38 1pp3 s ASP 186 CO 0.13 -1.86 1.91 1.17 -0.17 0.00 0.00 175.17 176.35 1pp3 n LYS 187 N -2.12 2.81 -1.65 4.34 4.81 -1.26 -4.88 118.16 120.21 1pp3 n LYS 187 Ca 0.13 1.03 -0.47 0.00 -0.87 0.00 0.00 58.31 58.13 1pp3 n LYS 187 Cb 0.50 -2.95 -0.04 0.00 0.02 0.00 0.00 35.03 32.56 1pp3 n LYS 187 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1pp3 n PRO 188 N 6.65 1.86 -0.24 1.64 -0.04 -1.26 -4.90 135.00 138.71 1pp3 n PRO 188 Ca 0.19 0.67 0.08 0.00 -0.04 0.00 0.00 63.50 64.41 1pp3 n PRO 188 Cb 0.39 -2.37 0.17 0.00 -0.04 0.00 0.00 33.50 31.64 1pp3 n PRO 188 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1pp3 n THR 189 N 2.80 2.02 -2.19 0.52 -2.24 -1.26 -5.05 114.28 108.89 1pp3 n THR 189 Ca 0.16 -2.43 -0.40 0.00 -2.27 0.00 0.00 64.05 59.11 1pp3 n THR 189 Cb 0.27 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 1pp3 n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1pp3 s THR 190 N -2.96 2.89 -0.13 4.28 2.01 -1.26 -4.85 115.64 115.62 1pp3 s THR 190 Ca 0.35 0.84 -0.04 0.00 0.31 0.00 0.00 61.69 63.15 1pp3 s THR 190 Cb 0.31 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 1pp3 s THR 190 CO 0.02 0.16 0.01 -0.69 -0.69 0.00 0.00 174.62 173.43 1pp3 s VAL 191 N -1.22 4.37 -0.22 3.82 1.01 0.39 -4.95 120.40 123.60 1pp3 s VAL 191 Ca 0.52 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 1pp3 s VAL 191 Cb -0.36 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1pp3 s VAL 191 CO 0.48 0.55 0.41 -0.89 0.00 0.00 0.00 175.10 175.64 1pp3 s THR 192 N -0.32 5.18 0.27 3.92 2.01 -1.26 -1.62 115.64 123.82 1pp3 s THR 192 Ca 0.07 0.71 0.11 0.00 0.31 0.00 0.00 61.69 62.89 1pp3 s THR 192 Cb -0.12 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1pp3 s THR 192 CO 0.02 0.22 -0.19 0.00 -0.69 0.00 0.00 174.62 173.98 1pp3 n PRO 194 N -0.58 1.87 -1.72 0.00 -0.02 -1.26 -0.35 135.00 132.94 1pp3 n PRO 194 Ca -0.05 0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 1pp3 n PRO 194 Cb 0.60 -2.46 0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1pp3 n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pp3 n GLY 195 N 0.79 0.59 3.00 -1.23 0.00 -0.97 -2.84 105.19 104.54 1pp3 n GLY 195 Ca 0.08 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1pp3 n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pp3 n SER 196 N -0.43 -5.70 -4.88 1.61 7.64 -1.26 -4.93 113.62 105.67 1pp3 n SER 196 Ca 0.09 -0.32 -0.29 0.00 1.01 0.00 0.00 58.87 59.36 1pp3 n SER 196 Cb 0.43 -4.47 0.08 0.00 -1.01 0.00 0.00 64.21 59.24 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 -2.89 4.80 0.15 6.43 0.01 -1.13 -4.94 113.70 116.13 1pp3 s SER 197 Ca 0.34 0.95 0.07 0.00 1.31 0.00 0.00 55.95 58.62 1pp3 s SER 197 Cb -0.15 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 1pp3 s SER 197 CO 0.42 -1.74 -0.04 0.20 0.41 0.00 0.00 173.24 172.49 1pp3 s ASN 198 N -4.43 4.60 0.23 2.44 0.01 -1.26 -4.54 114.94 112.00 1pp3 s ASN 198 Ca 0.61 -0.41 0.01 0.00 -0.71 0.00 0.00 52.86 52.35 1pp3 s ASN 198 Cb -0.11 -0.93 -0.04 0.00 0.41 0.00 0.00 41.25 40.57 1pp3 s ASN 198 CO 0.51 0.12 0.14 -0.31 -1.51 0.00 0.00 177.10 176.05 1pp3 s TYR 199 N -1.58 1.33 -0.04 2.20 2.02 -0.46 -0.20 117.35 120.62 1pp3 s TYR 199 Ca 0.25 -1.38 -0.01 0.00 -0.37 0.00 0.00 57.07 55.56 1pp3 s TYR 199 Cb -0.10 -0.66 0.03 0.00 -0.40 0.00 0.00 41.96 40.84 1pp3 s TYR 199 CO 0.17 -0.61 0.07 0.50 -1.57 0.00 0.00 175.55 174.11 1pp3 s ARG 200 N -4.03 0.01 -0.21 -0.62 3.52 0.14 -1.33 118.95 116.44 1pp3 s ARG 200 Ca 0.39 0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 56.20 1pp3 s ARG 200 Cb 0.06 -0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.22 1pp3 s ARG 200 CO 0.15 -0.16 -0.03 0.08 -0.81 0.00 0.00 175.30 174.52 1pp3 s VAL 201 N 1.09 3.61 -0.16 7.11 1.01 0.31 -1.91 120.40 131.46 1pp3 s VAL 201 Ca -0.09 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1pp3 s VAL 201 Cb -0.12 -2.63 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 1pp3 s VAL 201 CO -0.04 0.43 -0.15 -0.89 0.00 0.00 0.00 175.10 174.45 1pp3 s THR 202 N 1.22 2.68 0.04 3.92 2.01 0.13 -1.00 115.64 124.64 1pp3 s THR 202 Ca 0.03 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 61.07 1pp3 s THR 202 Cb -0.14 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 1pp3 s THR 202 CO -0.00 0.51 0.58 -0.36 -0.69 0.00 0.00 174.62 174.66 1pp3 s PHE 203 N 0.94 3.76 -1.16 4.92 0.08 -0.13 -0.98 117.98 125.40 1pp3 s PHE 203 Ca -0.03 1.25 -0.10 0.00 0.12 0.00 0.00 56.93 58.17 1pp3 s PHE 203 Cb -0.15 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 39.73 1pp3 s PHE 203 CO -0.02 0.48 0.81 0.00 -0.10 0.00 0.00 175.22 176.39 1pp3 n PRO 205 N -3.92 1.86 -1.59 0.00 -0.04 -1.26 -4.51 135.00 125.54 1pp3 n PRO 205 Ca -0.15 0.65 -0.64 0.00 -0.04 0.00 0.00 63.50 63.32 1pp3 n PRO 205 Cb 0.63 -2.21 -0.10 0.00 -0.04 0.00 0.00 33.50 31.78 1pp3 n PRO 205 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1pp3 n THR 206 N 0.13 0.03 -0.57 0.52 -1.04 -1.26 -5.05 114.28 107.05 1pp3 n THR 206 Ca 0.06 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1pp3 n THR 206 Cb 0.36 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1pp3 n THR 206 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43