#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2t s TYR 3 N 0.00 3.05 0.02 -1.42 1.51 -0.23 -4.80 117.35 115.47 1y2t s TYR 3 Ca 0.00 0.06 0.06 0.00 -1.01 0.00 0.00 57.07 56.18 1y2t s TYR 3 Cb 0.00 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1y2t s TYR 3 CO 0.00 0.46 -0.19 0.95 -1.11 0.00 0.00 175.55 175.65 1y2t s THR 4 N -1.11 1.53 -0.22 -0.71 -4.23 -0.31 -0.77 115.64 109.83 1y2t s THR 4 Ca 0.20 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 1y2t s THR 4 Cb -0.11 -1.31 0.05 0.00 1.34 0.00 0.00 72.50 72.47 1y2t s THR 4 CO 0.11 0.29 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.74 1y2t s ILE 5 N -0.64 1.81 -0.27 2.99 1.01 0.48 -0.28 121.20 126.30 1y2t s ILE 5 Ca 0.07 -1.19 -0.11 0.00 0.00 0.00 0.00 60.65 59.41 1y2t s ILE 5 Cb -0.08 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1y2t s ILE 5 CO 0.01 0.12 0.20 -0.44 0.00 0.00 0.00 174.94 174.83 1y2t s SER 6 N 1.31 6.07 -0.16 3.58 0.01 -0.34 -1.01 113.70 123.16 1y2t s SER 6 Ca -0.03 0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.28 1y2t s SER 6 Cb -0.17 -2.13 -0.00 0.00 0.21 0.00 0.00 66.02 63.93 1y2t s SER 6 CO -0.08 -0.03 -0.13 -0.63 0.41 0.00 0.00 173.24 172.78 1y2t s ILE 7 N 1.58 2.81 -0.22 1.44 1.01 0.12 -1.32 121.20 126.61 1y2t s ILE 7 Ca 0.08 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 1y2t s ILE 7 Cb -0.15 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1y2t s ILE 7 CO 0.09 0.50 0.14 -0.13 0.00 0.00 0.00 174.94 175.54 1y2t s ARG 8 N 0.90 4.07 -0.24 2.79 0.52 -0.60 -1.26 118.95 125.12 1y2t s ARG 8 Ca -0.03 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 54.79 1y2t s ARG 8 Cb -0.15 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 31.81 1y2t s ARG 8 CO -0.01 0.13 0.20 0.08 0.02 0.00 0.00 175.30 175.72 1y2t s VAL 9 N 0.83 5.33 -0.33 3.52 1.01 -1.26 -0.41 120.40 129.09 1y2t s VAL 9 Ca 0.07 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1y2t s VAL 9 Cb -0.13 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.78 1y2t s VAL 9 CO 0.02 0.31 0.06 -0.31 0.00 0.00 0.00 175.10 175.19 1y2t s TYR 10 N 1.24 3.35 -0.52 5.22 1.51 0.48 -4.97 117.35 123.67 1y2t s TYR 10 Ca 0.09 -1.99 -0.18 0.00 -1.01 0.00 0.00 57.07 53.98 1y2t s TYR 10 Cb -0.14 -2.41 0.07 0.00 -0.11 0.00 0.00 41.96 39.37 1y2t s TYR 10 CO 0.06 -0.84 0.59 -1.14 -1.11 0.00 0.00 175.55 173.11 1y2t s GLN 11 N 1.23 3.08 0.17 -0.62 0.74 -1.26 -0.28 119.66 122.72 1y2t s GLN 11 Ca -0.01 -1.09 0.23 0.00 0.05 0.00 0.00 55.36 54.54 1y2t s GLN 11 Cb -0.20 -4.14 0.02 0.00 1.10 0.00 0.00 33.01 29.78 1y2t s GLN 11 CO -0.02 -1.24 1.04 0.25 -0.55 0.00 0.00 175.29 174.77 1y2t n THR 12 N 5.51 0.53 -4.01 -0.34 -2.24 -0.46 -4.86 114.28 108.40 1y2t n THR 12 Ca -0.08 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 1y2t n THR 12 Cb 0.44 -0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.25 1y2t n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1y2t s THR 13 N -3.34 1.60 0.00 4.28 2.01 -1.26 -5.02 115.64 113.91 1y2t s THR 13 Ca 0.00 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 1y2t s THR 13 Cb 0.11 -1.54 -0.18 0.00 0.01 0.00 0.00 72.50 70.89 1y2t s THR 13 CO 0.79 0.39 2.79 -2.65 -0.69 0.00 0.00 174.62 175.25 1y2t n PRO 14 N 4.75 1.48 -3.97 4.92 -0.02 -1.26 -4.61 135.00 136.29 1y2t n PRO 14 Ca -0.16 -0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 60.33 1y2t n PRO 14 Cb 0.49 -1.78 -0.15 0.00 -0.02 0.00 0.00 33.50 32.04 1y2t n PRO 14 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1y2t s LYS 15 N 1.24 1.75 0.08 -0.52 2.20 -1.26 -5.04 119.74 118.19 1y2t s LYS 15 Ca 0.45 -1.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 1y2t s LYS 15 Cb 0.22 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1y2t s LYS 15 CO 0.00 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 1y2t n GLY 16 N 4.62 -1.76 3.04 5.54 0.00 -1.26 -4.98 105.19 110.39 1y2t n GLY 16 Ca -0.12 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 1y2t n GLY 16 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y2t s PHE 17 N -1.78 -0.66 -0.11 1.61 5.36 -1.26 -5.02 117.98 116.12 1y2t s PHE 17 Ca 0.00 1.05 -0.21 0.00 -0.96 0.00 0.00 56.93 56.80 1y2t s PHE 17 Cb 0.00 0.07 -0.04 0.00 -0.34 0.00 0.00 43.02 42.71 1y2t s PHE 17 CO 0.00 -0.53 0.62 -0.06 -1.46 0.00 0.00 175.22 173.78 1y2t s PHE 18 N 2.52 3.52 0.09 10.12 0.40 -1.26 -3.95 117.98 129.43 1y2t s PHE 18 Ca 0.04 1.08 0.10 0.00 -0.60 0.00 0.00 56.93 57.55 1y2t s PHE 18 Cb -0.13 -2.72 -0.03 0.00 0.51 0.00 0.00 43.02 40.64 1y2t s PHE 18 CO -0.13 0.07 -0.26 -0.98 0.70 0.00 0.00 175.22 174.62 1y2t s ARG 19 N 0.95 1.54 0.11 0.44 1.70 -0.07 -4.87 118.95 118.74 1y2t s ARG 19 Ca 0.32 -1.24 -0.31 0.00 -0.47 0.00 0.00 55.73 54.04 1y2t s ARG 19 Cb -0.16 -1.90 -0.07 0.00 -0.57 0.00 0.00 34.95 32.25 1y2t s ARG 19 CO 0.14 0.47 1.29 -1.25 -1.08 0.00 0.00 175.30 174.87 1y2t s PRO 20 N -1.71 4.38 0.00 3.89 0.04 -1.26 -1.39 135.00 138.95 1y2t s PRO 20 Ca 0.13 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1y2t s PRO 20 Cb -0.10 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1y2t s PRO 20 CO 0.04 -0.32 0.00 1.33 0.04 0.00 0.00 177.00 178.09 1y2t n VAL 21 N 3.72 0.00 -3.63 -0.36 0.24 -0.33 -4.95 118.33 113.02 1y2t n VAL 21 Ca 0.09 -0.30 -0.11 0.00 -2.04 0.00 0.00 64.34 61.98 1y2t n VAL 21 Cb 0.44 0.95 -0.07 0.00 -1.47 0.00 0.00 33.84 33.69 1y2t n VAL 21 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1y2t s GLU 22 N -0.70 0.65 -0.06 7.34 2.12 -1.23 -4.98 118.70 121.84 1y2t s GLU 22 Ca 0.00 0.76 -0.03 0.00 0.36 0.00 0.00 54.97 56.07 1y2t s GLU 22 Cb 0.00 0.32 0.04 0.00 0.26 0.00 0.00 34.13 34.74 1y2t s GLU 22 CO 0.00 -0.08 0.11 -0.98 -0.54 0.00 0.00 175.26 173.77 1y2t s ARG 23 N 0.28 -0.02 0.24 4.30 1.70 -1.26 -1.50 118.95 122.70 1y2t s ARG 23 Ca 0.02 0.46 0.12 0.00 -0.47 0.00 0.00 55.73 55.85 1y2t s ARG 23 Cb -0.05 -0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 33.92 1y2t s ARG 23 CO -0.03 -0.30 -0.22 0.95 -1.08 0.00 0.00 175.30 174.62 1y2t s THR 24 N 2.11 2.44 -0.10 4.99 -4.23 -0.31 -4.96 115.64 115.59 1y2t s THR 24 Ca 0.03 -2.21 0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1y2t s THR 24 Cb -0.12 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1y2t s THR 24 CO -0.04 -0.25 -0.13 0.20 -0.54 0.00 0.00 174.62 173.85 1y2t s ASN 25 N -3.08 2.23 0.63 3.99 0.01 -1.26 -2.02 114.94 115.43 1y2t s ASN 25 Ca 0.25 -0.37 -0.15 0.00 -0.71 0.00 0.00 52.86 51.88 1y2t s ASN 25 Cb -0.07 -0.98 -0.02 0.00 0.41 0.00 0.00 41.25 40.60 1y2t s ASN 25 CO 0.12 -0.01 1.07 0.86 -1.51 0.00 0.00 177.10 177.64 1y2t s TRP 26 N 1.05 2.93 -0.63 2.20 -0.00 -0.58 -4.93 118.94 118.98 1y2t s TRP 26 Ca -0.06 1.50 0.25 0.00 -0.00 0.00 0.00 56.10 57.79 1y2t s TRP 26 Cb -0.15 -3.01 0.48 0.00 -0.00 0.00 0.00 33.47 30.80 1y2t s TRP 26 CO -0.02 -1.25 1.48 1.57 -0.00 0.00 0.00 176.95 178.73 1y2t h LYS 27 N 0.10 0.00 -7.37 5.86 2.10 -1.94 -3.39 116.57 111.93 1y2t h LYS 27 Ca -0.46 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 57.71 1y2t h LYS 27 Cb 1.22 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 32.69 1y2t h LYS 27 CO 0.56 0.00 0.27 0.71 -2.00 0.00 0.00 179.45 179.00 1y2t s TYR 28 N -3.16 2.46 -1.53 0.07 4.12 -1.26 -3.30 117.35 114.75 1y2t s TYR 28 Ca 0.07 1.17 -0.12 0.00 0.02 0.00 0.00 57.07 58.22 1y2t s TYR 28 Cb 0.12 -3.18 0.08 0.00 -1.52 0.00 0.00 41.96 37.47 1y2t s TYR 28 CO 0.68 -2.26 0.86 0.00 0.02 0.00 0.00 175.55 174.85 1y2t n ALA 29 N -3.77 -1.44 -2.01 3.71 0.00 -1.26 -0.95 120.51 114.78 1y2t n ALA 29 Ca 0.07 0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.41 1y2t n ALA 29 Cb 0.56 -3.72 -0.03 0.00 0.00 0.00 0.00 19.45 16.26 1y2t n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y2t n ASN 30 N -2.84 -4.97 0.00 0.00 3.02 -1.26 -3.29 115.26 105.92 1y2t n ASN 30 Ca -0.03 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1y2t n ASN 30 Cb 0.55 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 1y2t n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y2t n GLY 31 N -0.98 0.88 3.78 7.41 0.00 -0.13 -4.66 105.19 111.50 1y2t n GLY 31 Ca -0.19 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.15 1y2t n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y2t n GLY 32 N 0.00 0.09 3.09 -0.02 0.00 -1.26 -3.13 105.19 103.96 1y2t n GLY 32 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1y2t n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y2t s THR 33 N -2.00 0.36 -0.12 2.61 -4.23 0.13 -4.90 115.64 107.49 1y2t s THR 33 Ca 0.31 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1y2t s THR 33 Cb -0.00 -1.25 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 1y2t s THR 33 CO -0.03 -0.81 -0.08 0.26 -0.54 0.00 0.00 174.62 173.42 1y2t s TRP 34 N -3.14 2.93 0.07 3.99 0.52 -1.26 -1.11 118.94 120.93 1y2t s TRP 34 Ca 0.03 -0.32 0.05 0.00 0.02 0.00 0.00 56.10 55.88 1y2t s TRP 34 Cb 0.02 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1y2t s TRP 34 CO -0.06 0.00 -0.15 -0.51 0.02 0.00 0.00 176.95 176.26 1y2t s ASP 35 N 0.05 1.77 -0.25 2.95 1.01 0.01 -4.97 116.67 117.24 1y2t s ASP 35 Ca -0.02 -0.59 -0.13 0.00 0.71 0.00 0.00 52.55 52.52 1y2t s ASP 35 Cb -0.14 -0.07 -0.04 0.00 1.01 0.00 0.00 42.92 43.67 1y2t s ASP 35 CO 0.03 -0.04 0.27 -1.61 0.21 0.00 0.00 175.17 174.04 1y2t s GLU 36 N -1.62 4.04 -0.18 8.23 2.02 -1.26 0.01 118.70 129.95 1y2t s GLU 36 Ca -0.00 -0.11 -0.03 0.00 0.02 0.00 0.00 54.97 54.85 1y2t s GLU 36 Cb -0.10 -3.60 0.06 0.00 0.10 0.00 0.00 34.13 30.59 1y2t s GLU 36 CO 0.02 -0.11 0.05 0.08 0.02 0.00 0.00 175.26 175.31 1y2t s VAL 37 N 1.57 0.37 -1.52 2.63 1.01 -0.09 -4.87 120.40 119.50 1y2t s VAL 37 Ca 0.12 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1y2t s VAL 37 Cb -0.15 -0.89 0.08 0.00 0.00 0.00 0.00 36.38 35.42 1y2t s VAL 37 CO 0.08 -0.20 0.95 0.54 0.00 0.00 0.00 175.10 176.48 1y2t n ARG 38 N 5.11 -5.43 -0.79 2.72 1.74 -1.26 -1.19 116.66 117.57 1y2t n ARG 38 Ca -0.08 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1y2t n ARG 38 Cb 0.48 -5.45 0.00 0.00 -1.02 0.00 0.00 32.46 26.47 1y2t n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y2t n GLY 39 N -1.69 0.79 3.64 -0.13 0.00 -1.26 -5.04 105.19 101.51 1y2t n GLY 39 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1y2t n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y2t s GLU 40 N -0.21 2.30 -0.24 1.61 2.02 -0.33 -4.78 118.70 119.07 1y2t s GLU 40 Ca 0.00 -1.28 -0.13 0.00 0.02 0.00 0.00 54.97 53.58 1y2t s GLU 40 Cb 0.00 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 1y2t s GLU 40 CO 0.00 0.41 0.27 0.71 0.02 0.00 0.00 175.26 176.67 1y2t s TYR 41 N -2.02 3.31 -0.26 1.61 1.51 -0.39 -0.91 117.35 120.20 1y2t s TYR 41 Ca 0.29 0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 56.70 1y2t s TYR 41 Cb -0.08 -2.42 0.03 0.00 -0.11 0.00 0.00 41.96 39.39 1y2t s TYR 41 CO 0.19 -0.04 -0.06 0.08 -1.11 0.00 0.00 175.55 174.61 1y2t s VAL 42 N 1.42 2.85 -0.27 0.71 1.01 0.10 0.12 120.40 126.34 1y2t s VAL 42 Ca 0.12 -1.11 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 1y2t s VAL 42 Cb -0.15 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1y2t s VAL 42 CO 0.07 0.14 0.44 -0.22 0.00 0.00 0.00 175.10 175.53 1y2t s LEU 43 N 1.30 4.05 -0.13 3.92 2.96 -0.18 -0.81 118.68 129.78 1y2t s LEU 43 Ca -0.01 0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1y2t s LEU 43 Cb -0.17 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 1y2t s LEU 43 CO -0.04 -0.23 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.81 1y2t s THR 44 N 2.18 3.70 0.03 3.68 2.01 -0.27 -0.39 115.64 126.58 1y2t s THR 44 Ca 0.18 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.79 1y2t s THR 44 Cb -0.16 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1y2t s THR 44 CO 0.10 0.52 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.36 1y2t s MET 45 N 0.14 0.97 0.31 4.92 -1.94 0.05 -0.70 119.30 123.06 1y2t s MET 45 Ca -0.03 -0.73 0.02 0.00 -1.71 0.00 0.00 55.69 53.25 1y2t s MET 45 Cb -0.14 -0.98 0.52 0.00 2.01 0.00 0.00 34.83 36.24 1y2t s MET 45 CO 0.03 0.25 1.85 0.78 -0.01 0.00 0.00 175.02 177.91 1y2t h GLY 46 N 5.04 0.67 0.00 -0.03 0.00 -1.55 -0.60 103.07 106.60 1y2t h GLY 46 Ca -0.38 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1y2t h GLY 46 CO 0.44 0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.97 1y2t n GLY 47 N -0.83 1.63 3.79 4.60 0.00 -1.21 -3.41 105.19 109.75 1y2t n GLY 47 Ca 0.02 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1y2t n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y2t s SER 48 N -0.40 6.77 0.00 1.61 0.15 -1.26 -4.37 113.70 116.20 1y2t s SER 48 Ca 0.00 1.96 0.00 0.00 0.70 0.00 0.00 55.95 58.61 1y2t s SER 48 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1y2t s SER 48 CO 0.00 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1y2t n GLY 49 N 0.15 1.21 0.91 9.45 0.00 0.26 -4.67 105.19 112.51 1y2t n GLY 49 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1y2t n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1y2t n THR 50 N -0.77 0.00 -3.82 2.61 5.66 -1.19 -4.64 114.28 112.13 1y2t n THR 50 Ca 0.00 -0.67 -0.04 0.00 -3.05 0.00 0.00 64.05 60.29 1y2t n THR 50 Cb 0.00 0.28 0.01 0.00 -1.55 0.00 0.00 70.33 69.07 1y2t n THR 50 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1y2t s SER 51 N -1.67 -0.07 0.02 1.09 1.04 -1.26 -2.16 113.70 110.68 1y2t s SER 51 Ca 0.08 -0.65 -0.13 0.00 0.48 0.00 0.00 55.95 55.74 1y2t s SER 51 Cb 0.00 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1y2t s SER 51 CO 0.06 -1.09 0.27 -0.83 0.98 0.00 0.00 173.24 172.63 1y2t s GLY 52 N -3.16 -0.09 0.05 7.32 0.00 -0.11 -1.52 107.32 109.81 1y2t s GLY 52 Ca 0.17 0.06 0.08 0.00 0.00 0.00 0.00 44.72 45.02 1y2t s GLY 52 CO 0.05 -0.14 -0.22 -0.56 0.00 0.00 0.00 173.10 172.23 1y2t s SER 53 N -1.73 2.63 -0.11 1.64 0.01 -0.86 -1.30 113.70 113.98 1y2t s SER 53 Ca -0.09 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 56.64 1y2t s SER 53 Cb -0.03 -0.21 -0.00 0.00 0.21 0.00 0.00 66.02 65.99 1y2t s SER 53 CO -0.00 0.16 -0.22 -0.76 0.41 0.00 0.00 173.24 172.83 1y2t s LEU 54 N -1.32 2.19 -0.11 2.44 1.43 0.37 -1.16 118.68 122.51 1y2t s LEU 54 Ca 0.08 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1y2t s LEU 54 Cb -0.09 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1y2t s LEU 54 CO 0.02 0.15 0.02 -0.60 0.23 0.00 0.00 176.35 176.18 1y2t s ARG 55 N 0.38 3.26 0.00 1.70 3.52 -0.56 -0.68 118.95 126.57 1y2t s ARG 55 Ca -0.17 -0.38 0.06 0.00 -0.13 0.00 0.00 55.73 55.11 1y2t s ARG 55 Cb -0.17 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1y2t s ARG 55 CO 0.08 0.60 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.90 1y2t s PHE 56 N -0.57 1.76 -0.04 5.12 0.40 -0.66 -1.18 117.98 122.81 1y2t s PHE 56 Ca 0.10 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 1y2t s PHE 56 Cb -0.12 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.30 1y2t s PHE 56 CO 0.02 0.00 -0.12 0.08 0.70 0.00 0.00 175.22 175.91 1y2t s VAL 57 N -0.55 1.01 -0.55 -0.44 1.01 -0.48 -1.81 120.40 118.59 1y2t s VAL 57 Ca 0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1y2t s VAL 57 Cb -0.08 -0.89 0.14 0.00 0.00 0.00 0.00 36.38 35.55 1y2t s VAL 57 CO -0.00 0.31 0.39 -0.55 0.00 0.00 0.00 175.10 175.25 1y2t s SER 58 N 0.23 5.58 0.40 3.32 0.15 0.72 -0.89 113.70 123.21 1y2t s SER 58 Ca -0.05 -2.33 0.13 0.00 0.70 0.00 0.00 55.95 54.40 1y2t s SER 58 Cb -0.10 -1.94 0.83 0.00 -1.71 0.00 0.00 66.02 63.09 1y2t s SER 58 CO 0.01 -0.55 1.90 0.77 1.20 0.00 0.00 173.24 176.57 1y2t h SER 59 N 7.84 0.02 0.13 5.45 4.64 -1.80 -1.13 113.55 128.69 1y2t h SER 59 Ca -0.10 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 1y2t h SER 59 Cb 1.03 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1y2t h SER 59 CO 0.77 0.30 -0.17 0.44 -0.87 0.00 0.00 176.83 177.30 1y2t h ASP 60 N 0.02 0.08 0.00 4.97 5.19 -1.93 -3.24 116.42 121.51 1y2t h ASP 60 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1y2t h ASP 60 Cb 0.51 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1y2t h ASP 60 CO 0.04 0.26 0.00 0.35 -3.12 0.00 0.00 179.24 176.76 1y2t n THR 61 N -4.30 0.71 -3.73 0.35 -2.24 -1.06 -5.01 114.28 99.00 1y2t n THR 61 Ca -0.02 -0.82 -0.23 0.00 -2.27 0.00 0.00 64.05 60.72 1y2t n THR 61 Cb 0.26 0.66 0.03 0.00 -2.10 0.00 0.00 70.33 69.18 1y2t n THR 61 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1y2t n ASP 62 N -0.35 -1.83 -4.37 3.42 4.64 -0.48 -5.01 116.55 112.57 1y2t n ASP 62 Ca 0.00 -0.81 -0.24 0.00 -1.38 0.00 0.00 54.79 52.37 1y2t n ASP 62 Cb 0.21 -4.06 -0.11 0.00 -1.04 0.00 0.00 41.12 36.12 1y2t n ASP 62 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1y2t s GLU 63 N -6.08 1.36 0.04 -0.67 2.02 -0.87 -5.01 118.70 109.49 1y2t s GLU 63 Ca 0.12 -1.45 -0.27 0.00 0.02 0.00 0.00 54.97 53.38 1y2t s GLU 63 Cb -0.06 -1.53 0.09 0.00 0.10 0.00 0.00 34.13 32.74 1y2t s GLU 63 CO 0.81 0.32 0.86 -1.54 0.02 0.00 0.00 175.26 175.73 1y2t s SER 64 N -2.66 -0.37 0.09 -0.19 1.04 -1.26 -0.20 113.70 110.15 1y2t s SER 64 Ca 0.17 -0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.33 1y2t s SER 64 Cb -0.07 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.54 1y2t s SER 64 CO 0.08 -0.71 0.54 0.72 0.98 0.00 0.00 173.24 174.85 1y2t s PHE 65 N -3.23 -0.44 -0.16 5.02 -0.12 -0.75 -4.20 117.98 114.10 1y2t s PHE 65 Ca 0.05 0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.31 1y2t s PHE 65 Cb -0.01 0.40 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1y2t s PHE 65 CO -0.08 -0.72 -0.16 0.08 -0.05 0.00 0.00 175.22 174.29 1y2t s VAL 66 N -3.01 2.58 -0.19 -2.49 1.01 0.13 -1.66 120.40 116.78 1y2t s VAL 66 Ca -0.02 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1y2t s VAL 66 Cb -0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1y2t s VAL 66 CO -0.06 0.52 0.01 0.00 0.00 0.00 0.00 175.10 175.56 1y2t s ALA 67 N 0.90 3.11 -0.05 5.51 0.00 0.15 -1.08 121.76 130.29 1y2t s ALA 67 Ca -0.04 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.08 1y2t s ALA 67 Cb -0.15 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 1y2t s ALA 67 CO -0.02 -0.00 -0.23 0.99 0.00 0.00 0.00 175.76 176.50 1y2t s THR 68 N 0.74 2.22 -0.01 0.00 2.01 -0.30 -0.48 115.64 119.82 1y2t s THR 68 Ca 0.01 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.03 1y2t s THR 68 Cb -0.14 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 1y2t s THR 68 CO 0.02 0.57 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.04 1y2t s PHE 69 N -0.30 1.10 0.06 4.92 0.40 -0.42 -1.83 117.98 121.90 1y2t s PHE 69 Ca 0.01 -0.21 -0.05 0.00 -0.60 0.00 0.00 56.93 56.08 1y2t s PHE 69 Cb -0.13 -0.71 0.02 0.00 0.51 0.00 0.00 43.02 42.71 1y2t s PHE 69 CO 0.02 -0.02 0.26 0.41 0.70 0.00 0.00 175.22 176.59 1y2t n GLY 70 N 2.77 1.21 3.01 4.36 0.00 -0.89 -0.94 105.19 114.72 1y2t n GLY 70 Ca -0.14 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 1y2t n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y2t s VAL 71 N -2.49 1.34 -0.13 1.61 1.01 -0.92 -0.64 120.40 120.19 1y2t s VAL 71 Ca 0.06 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1y2t s VAL 71 Cb -0.01 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1y2t s VAL 71 CO 0.02 0.41 -0.21 -2.28 0.00 0.00 0.00 175.10 173.04 1y2t s HIS 72 N 1.13 2.49 -1.51 5.22 5.04 0.57 -0.57 115.29 127.66 1y2t s HIS 72 Ca -0.04 -1.21 -0.05 0.00 -1.54 0.00 0.00 55.06 52.22 1y2t s HIS 72 Cb -0.14 -1.71 0.04 0.00 0.04 0.00 0.00 32.58 30.81 1y2t s HIS 72 CO -0.03 -0.56 0.42 -1.71 -2.34 0.00 0.00 174.74 170.52 1y2t n ASN 73 N 4.03 -0.72 -0.37 9.88 4.05 -1.26 -1.60 115.26 129.28 1y2t n ASN 73 Ca -0.20 -1.07 -0.05 0.00 0.45 0.00 0.00 54.58 53.72 1y2t n ASN 73 Cb 0.52 -2.66 -0.02 0.00 1.23 0.00 0.00 39.78 38.84 1y2t n ASN 73 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1y2t n TYR 74 N -4.43 0.00 -4.88 1.20 4.02 -1.26 -4.99 117.16 106.82 1y2t n TYR 74 Ca -0.22 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.41 1y2t n TYR 74 Cb 0.64 -1.52 -0.15 0.00 -0.02 0.00 0.00 39.34 38.29 1y2t n TYR 74 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1y2t s LYS 75 N -1.88 1.52 0.56 -0.72 1.02 -0.63 -5.00 119.74 114.63 1y2t s LYS 75 Ca 0.00 -0.65 -0.20 0.00 0.02 0.00 0.00 55.97 55.14 1y2t s LYS 75 Cb 0.00 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.82 1y2t s LYS 75 CO 0.00 0.37 1.26 -0.98 -0.92 0.00 0.00 175.35 175.09 1y2t s ARG 76 N -0.37 3.09 0.13 1.68 3.03 -1.26 -0.31 118.95 124.94 1y2t s ARG 76 Ca 0.06 1.99 -0.00 0.00 2.03 0.00 0.00 55.73 59.80 1y2t s ARG 76 Cb -0.08 -2.10 -0.04 0.00 -1.03 0.00 0.00 34.95 31.70 1y2t s ARG 76 CO -0.00 -1.16 0.03 1.67 -1.13 0.00 0.00 175.30 174.71 1y2t s TRP 77 N -1.46 0.91 0.14 5.89 1.48 0.19 -3.80 118.94 122.29 1y2t s TRP 77 Ca 0.74 -1.15 -0.17 0.00 -1.06 0.00 0.00 56.10 54.46 1y2t s TRP 77 Cb -0.34 -0.53 0.04 0.00 -1.16 0.00 0.00 33.47 31.48 1y2t s TRP 77 CO 0.39 -0.41 0.45 0.00 -4.06 0.00 0.00 176.95 173.32 1y2t s ASP 79 N -2.80 -0.56 -0.04 0.00 2.15 -0.76 -4.70 116.67 109.96 1y2t s ASP 79 Ca 0.03 0.25 0.04 0.00 0.43 0.00 0.00 52.55 53.30 1y2t s ASP 79 Cb 0.01 0.55 -0.00 0.00 -0.30 0.00 0.00 42.92 43.18 1y2t s ASP 79 CO -0.11 -0.80 -0.14 -0.63 -0.17 0.00 0.00 175.17 173.32 1y2t s ILE 80 N -2.66 1.18 -0.11 4.11 1.01 -1.26 -1.14 121.20 122.32 1y2t s ILE 80 Ca -0.04 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1y2t s ILE 80 Cb -0.01 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1y2t s ILE 80 CO -0.03 0.35 -0.23 -0.69 0.00 0.00 0.00 174.94 174.33 1y2t s VAL 81 N 0.08 2.09 0.00 2.92 1.01 -0.24 -4.96 120.40 121.30 1y2t s VAL 81 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1y2t s VAL 81 Cb -0.10 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1y2t s VAL 81 CO 0.01 0.56 0.00 1.07 0.00 0.00 0.00 175.10 176.74 1y2t n THR 82 N 3.69 0.00 -3.87 3.92 5.66 -1.26 -0.69 114.28 121.72 1y2t n THR 82 Ca -0.19 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.56 1y2t n THR 82 Cb 0.53 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1y2t n THR 82 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1y2t n ASN 83 N -1.69 -0.87 -4.77 1.09 3.02 -1.26 -4.91 115.26 105.87 1y2t n ASN 83 Ca 0.00 -0.93 -0.39 0.00 -0.03 0.00 0.00 54.58 53.23 1y2t n ASN 83 Cb 0.00 -3.42 -0.05 0.00 -0.61 0.00 0.00 39.78 35.70 1y2t n ASN 83 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1y2t s LEU 84 N -6.89 4.40 0.77 3.41 1.43 -1.26 -5.06 118.68 115.48 1y2t s LEU 84 Ca 0.05 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 1y2t s LEU 84 Cb -0.03 -3.87 0.06 0.00 0.03 0.00 0.00 46.19 42.38 1y2t s LEU 84 CO 0.86 -0.21 1.12 0.42 0.23 0.00 0.00 176.35 178.77 1y2t s THR 85 N -1.39 2.83 0.39 5.49 -4.23 -1.26 -4.96 115.64 112.51 1y2t s THR 85 Ca 0.49 0.27 0.37 0.00 -1.18 0.00 0.00 61.69 61.65 1y2t s THR 85 Cb -0.26 -3.19 0.40 0.00 1.34 0.00 0.00 72.50 70.79 1y2t s THR 85 CO 0.33 -0.35 2.17 0.78 -0.54 0.00 0.00 174.62 177.00 1y2t h ASN 86 N -0.94 0.00 1.00 3.99 2.35 -2.05 -2.19 115.58 117.75 1y2t h ASN 86 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1y2t h ASN 86 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1y2t h ASN 86 CO 0.63 0.02 -0.40 -0.62 -1.65 0.00 0.00 177.43 175.42 1y2t n GLU 87 N -3.18 0.23 -2.75 0.81 4.71 -1.26 -4.62 120.64 114.59 1y2t n GLU 87 Ca -0.01 0.11 -0.43 0.00 -0.01 0.00 0.00 57.16 56.81 1y2t n GLU 87 Cb 0.19 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 28.94 1y2t n GLU 87 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1y2t n GLN 88 N -2.05 3.49 -1.87 3.49 6.02 -0.82 -4.84 117.38 120.81 1y2t n GLN 88 Ca 0.04 -3.78 -0.29 0.00 -0.01 0.00 0.00 57.00 52.97 1y2t n GLN 88 Cb 0.42 -2.97 0.10 0.00 1.02 0.00 0.00 30.24 28.81 1y2t n GLN 88 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1y2t s THR 89 N 0.93 2.00 0.38 5.09 -4.23 -1.26 -4.82 115.64 113.74 1y2t s THR 89 Ca 0.41 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.99 1y2t s THR 89 Cb 0.02 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 71.07 1y2t s THR 89 CO 0.00 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.03 1y2t h ALA 90 N -1.15 1.54 -0.63 3.99 0.00 -1.94 -0.67 119.26 120.40 1y2t h ALA 90 Ca -0.46 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.38 1y2t h ALA 90 Cb 1.32 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1y2t h ALA 90 CO 0.63 0.34 0.28 1.25 0.00 0.00 0.00 179.25 181.76 1y2t h LEU 91 N 0.39 0.35 0.15 0.00 6.46 -1.96 0.64 115.31 121.35 1y2t h LEU 91 Ca 0.09 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1y2t h LEU 91 Cb 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1y2t h LEU 91 CO 0.00 0.22 -0.07 0.58 -0.62 0.00 0.00 178.44 178.55 1y2t h VAL 92 N 0.51 1.00 -0.28 1.05 2.07 -1.72 -3.24 116.25 115.64 1y2t h VAL 92 Ca 0.30 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1y2t h VAL 92 Cb 0.31 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1y2t h VAL 92 CO -0.26 0.20 0.13 0.40 0.02 0.00 0.00 177.57 178.07 1y2t h ILE 93 N -0.66 1.15 -0.68 4.57 1.08 -0.95 -2.64 117.51 119.38 1y2t h ILE 93 Ca -0.02 -0.44 0.10 0.00 -0.39 0.00 0.00 64.86 64.12 1y2t h ILE 93 Cb 0.49 0.93 -0.08 0.00 -3.07 0.00 0.00 36.82 35.09 1y2t h ILE 93 CO 0.03 0.15 0.30 -1.13 -0.69 0.00 0.00 178.15 176.81 1y2t h ASN 94 N 0.31 0.34 0.36 1.72 -0.73 -1.01 -1.68 115.58 114.89 1y2t h ASN 94 Ca 0.09 0.08 -0.06 0.00 1.87 0.00 0.00 56.30 58.28 1y2t h ASN 94 Cb 0.12 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1y2t h ASN 94 CO -0.01 0.19 -0.31 -0.61 -0.37 0.00 0.00 177.43 176.31 1y2t h GLN 95 N 0.50 0.00 0.00 6.67 4.15 -1.53 -3.02 115.11 121.88 1y2t h GLN 95 Ca 0.34 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.75 1y2t h GLN 95 Cb 0.42 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1y2t h GLN 95 CO -0.31 0.31 -0.07 0.93 -1.93 0.00 0.00 178.83 177.76 1y2t h GLU 96 N 0.00 0.00 0.00 1.69 5.08 -0.94 -2.21 114.58 118.20 1y2t h GLU 96 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y2t h GLU 96 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1y2t h GLU 96 CO 0.04 0.07 0.00 0.66 -1.00 0.00 0.00 179.01 178.78 1y2t n TYR 97 N -3.34 0.00 -3.06 4.33 4.02 -1.14 -1.72 117.16 116.25 1y2t n TYR 97 Ca -0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.67 1y2t n TYR 97 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.54 1y2t n TYR 97 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1y2t n TYR 98 N -0.99 1.66 0.00 -0.72 4.02 -0.83 -4.28 117.16 116.01 1y2t n TYR 98 Ca 0.13 -3.83 0.00 0.00 -0.01 0.00 0.00 57.90 54.19 1y2t n TYR 98 Cb 0.06 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 1y2t n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y2t n GLY 99 N 0.06 1.43 3.61 2.72 0.00 -1.23 -5.09 105.19 106.70 1y2t n GLY 99 Ca 0.27 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1y2t n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y2t s VAL 100 N 0.00 4.89 0.22 1.61 1.01 -0.70 -4.98 120.40 122.45 1y2t s VAL 100 Ca 0.00 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 62.87 1y2t s VAL 100 Cb 0.00 -4.04 0.19 0.00 0.00 0.00 0.00 36.38 32.53 1y2t s VAL 100 CO 0.00 -0.16 1.68 -0.65 0.00 0.00 0.00 175.10 175.96 1y2t h PRO 101 N 8.14 0.17 0.00 2.72 0.11 -1.99 0.26 132.00 141.40 1y2t h PRO 101 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1y2t h PRO 101 Cb 1.11 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1y2t h PRO 101 CO 0.83 0.11 -0.05 0.97 -0.21 0.00 0.00 178.00 179.65 1y2t h ILE 102 N 0.17 0.19 0.09 4.15 6.09 -1.93 -2.06 117.51 124.21 1y2t h ILE 102 Ca 0.34 -0.40 -0.37 0.00 -1.37 0.00 0.00 64.86 63.06 1y2t h ILE 102 Cb 0.54 1.33 -0.03 0.00 0.47 0.00 0.00 36.82 39.14 1y2t h ILE 102 CO -0.49 0.05 -2.07 0.54 -3.07 0.00 0.00 178.15 173.10 1y2t n ARG 103 N -3.26 0.73 -0.18 2.19 5.12 -0.16 -3.88 116.66 117.22 1y2t n ARG 103 Ca -0.01 0.25 -0.01 0.00 -1.93 0.00 0.00 57.85 56.15 1y2t n ARG 103 Cb 0.23 -1.67 0.09 0.00 -1.16 0.00 0.00 32.46 29.94 1y2t n ARG 103 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1y2t h ASP 104 N -0.00 0.03 -0.58 0.55 3.32 -0.36 -2.34 116.42 117.04 1y2t h ASP 104 Ca -0.46 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 1y2t h ASP 104 Cb 1.97 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 41.62 1y2t h ASP 104 CO 0.03 0.04 0.22 0.06 -1.72 0.00 0.00 179.24 177.87 1y2t h GLN 105 N 0.27 0.91 -0.35 3.56 -0.00 -1.56 -0.89 115.11 117.06 1y2t h GLN 105 Ca 0.28 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 1y2t h GLN 105 Cb 0.39 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.48 27.70 1y2t h GLN 105 CO -0.35 0.77 0.16 0.00 -0.00 0.00 0.00 178.83 179.40 1y2t h ALA 106 N 1.35 0.45 -0.49 0.06 0.00 -1.55 -1.97 119.26 117.09 1y2t h ALA 106 Ca 0.21 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1y2t h ALA 106 Cb 0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1y2t h ALA 106 CO -0.01 0.02 0.33 -0.09 0.00 0.00 0.00 179.25 179.49 1y2t h ARG 107 N 0.42 0.64 0.00 0.00 2.43 -1.12 -2.74 114.38 114.02 1y2t h ARG 107 Ca 0.12 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1y2t h ARG 107 Cb 0.14 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1y2t h ARG 107 CO -0.01 0.43 -0.01 0.93 -1.51 0.00 0.00 179.97 179.80 1y2t h GLU 108 N 0.66 0.00 0.00 0.20 5.08 -0.88 -2.44 114.58 117.21 1y2t h GLU 108 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1y2t h GLU 108 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1y2t h GLU 108 CO -0.04 0.01 0.00 -0.91 -1.00 0.00 0.00 179.01 177.06 1y2t h ASN 109 N 0.00 0.00 -6.39 1.42 -0.26 -1.04 -3.47 115.58 105.84 1y2t h ASN 109 Ca -0.00 0.00 -0.48 0.00 -0.56 0.00 0.00 56.30 55.26 1y2t h ASN 109 Cb 0.27 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 1y2t h ASN 109 CO 0.00 0.00 -0.88 0.00 -1.06 0.00 0.00 177.43 175.49 1y2t n GLN 110 N -3.02 -3.47 -2.53 0.81 6.02 -0.92 -4.90 117.38 109.37 1y2t n GLN 110 Ca 0.00 0.45 -0.40 0.00 -0.01 0.00 0.00 57.00 57.05 1y2t n GLN 110 Cb 0.27 -4.63 -0.05 0.00 1.02 0.00 0.00 30.24 26.86 1y2t n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1y2t s LEU 111 N -6.87 4.51 0.09 1.08 1.43 -1.25 -4.72 118.68 112.95 1y2t s LEU 111 Ca 0.03 2.18 0.24 0.00 -1.03 0.00 0.00 54.13 55.56 1y2t s LEU 111 Cb -0.01 -3.71 0.34 0.00 0.03 0.00 0.00 46.19 42.84 1y2t s LEU 111 CO 0.87 -0.14 1.30 0.35 0.23 0.00 0.00 176.35 178.96 1y2t n THR 112 N 1.04 0.27 -3.65 5.49 -2.24 -1.26 -3.66 114.28 110.27 1y2t n THR 112 Ca -0.00 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1y2t n THR 112 Cb 0.46 -0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 1y2t n THR 112 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1y2t s SER 113 N -3.98 -0.49 -0.13 3.42 1.04 -1.26 -0.44 113.70 111.85 1y2t s SER 113 Ca 0.07 0.67 -0.17 0.00 0.48 0.00 0.00 55.95 56.99 1y2t s SER 113 Cb 0.14 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.99 1y2t s SER 113 CO 0.73 -0.41 0.45 -0.47 0.98 0.00 0.00 173.24 174.52 1y2t s TYR 114 N -0.70 -0.46 0.01 5.02 5.04 -0.51 -5.00 117.35 120.76 1y2t s TYR 114 Ca -0.08 1.05 -0.02 0.00 -2.44 0.00 0.00 57.07 55.58 1y2t s TYR 114 Cb -0.03 0.18 -0.01 0.00 0.35 0.00 0.00 41.96 42.45 1y2t s TYR 114 CO 0.05 -0.31 0.01 0.54 -1.34 0.00 0.00 175.55 174.51 1y2t s ASN 115 N -0.18 0.18 0.06 4.32 2.20 -1.26 -0.57 114.94 119.69 1y2t s ASN 115 Ca -0.04 -0.40 -0.12 0.00 -0.94 0.00 0.00 52.86 51.37 1y2t s ASN 115 Cb -0.03 0.12 0.01 0.00 -2.00 0.00 0.00 41.25 39.35 1y2t s ASN 115 CO 0.02 -0.30 0.26 0.54 -2.94 0.00 0.00 177.10 174.68 1y2t s VAL 116 N -1.36 0.10 0.01 3.54 0.11 -0.35 -4.99 120.40 117.47 1y2t s VAL 116 Ca -0.15 -0.84 0.08 0.00 -2.93 0.00 0.00 61.98 58.14 1y2t s VAL 116 Cb -0.09 -1.07 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 1y2t s VAL 116 CO -0.00 -0.47 -0.23 0.00 -3.33 0.00 0.00 175.10 171.07 1y2t s ALA 117 N -3.05 2.34 0.89 1.54 0.00 -1.26 -0.34 121.76 121.88 1y2t s ALA 117 Ca -0.01 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 1y2t s ALA 117 Cb 0.01 -0.61 0.17 0.00 0.00 0.00 0.00 23.12 22.70 1y2t s ALA 117 CO -0.06 0.54 1.24 0.54 0.00 0.00 0.00 175.76 178.01 1y2t s ASN 118 N -1.02 3.52 0.62 0.00 2.20 -0.51 -4.91 114.94 114.83 1y2t s ASN 118 Ca 0.12 0.18 0.39 0.00 -0.94 0.00 0.00 52.86 52.61 1y2t s ASN 118 Cb -0.10 -0.34 2.06 0.00 -2.00 0.00 0.00 41.25 40.87 1y2t s ASN 118 CO 0.02 -2.46 2.26 0.00 -2.94 0.00 0.00 177.10 173.97 1y2t h ALA 119 N -1.34 1.09 -0.01 3.54 0.00 -1.98 -0.10 119.26 120.47 1y2t h ALA 119 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1y2t h ALA 119 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1y2t h ALA 119 CO 0.41 0.02 -0.16 1.63 0.00 0.00 0.00 179.25 181.14 1y2t n LYS 120 N -3.23 0.74 -0.40 0.00 5.02 -1.26 -4.93 118.16 114.09 1y2t n LYS 120 Ca -0.02 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 1y2t n LYS 120 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1y2t n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y2t n GLY 121 N 1.31 0.77 3.72 0.72 0.00 -0.05 -5.06 105.19 106.60 1y2t n GLY 121 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1y2t n GLY 121 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y2t s ARG 122 N -0.60 4.61 0.01 1.61 3.52 -1.26 -4.80 118.95 122.04 1y2t s ARG 122 Ca 0.00 1.45 -0.16 0.00 -0.13 0.00 0.00 55.73 56.88 1y2t s ARG 122 Cb 0.00 -3.42 -0.06 0.00 -1.56 0.00 0.00 34.95 29.91 1y2t s ARG 122 CO 0.00 0.05 0.46 0.50 -0.81 0.00 0.00 175.30 175.50 1y2t s ARG 123 N 0.60 4.04 -0.02 5.12 6.06 -1.26 -1.43 118.95 132.06 1y2t s ARG 123 Ca 0.50 0.51 0.06 0.00 -2.50 0.00 0.00 55.73 54.30 1y2t s ARG 123 Cb -0.22 -3.25 -0.01 0.00 0.06 0.00 0.00 34.95 31.53 1y2t s ARG 123 CO 0.29 0.62 -0.20 -0.06 -2.50 0.00 0.00 175.30 173.45 1y2t s PHE 124 N -0.91 1.80 0.00 5.12 0.40 0.53 -0.24 117.98 124.68 1y2t s PHE 124 Ca 0.25 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1y2t s PHE 124 Cb -0.17 -1.17 -0.01 0.00 0.51 0.00 0.00 43.02 42.18 1y2t s PHE 124 CO 0.15 -0.06 0.01 0.00 0.70 0.00 0.00 175.22 176.02 1y2t s ALA 125 N -0.36 -0.02 -0.11 5.36 0.00 -0.18 -1.21 121.76 125.24 1y2t s ALA 125 Ca 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1y2t s ALA 125 Cb -0.09 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1y2t s ALA 125 CO -0.00 -0.08 -0.15 0.42 0.00 0.00 0.00 175.76 175.96 1y2t s ILE 126 N -0.58 2.92 -0.13 0.00 1.01 0.27 -0.29 121.20 124.39 1y2t s ILE 126 Ca -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1y2t s ILE 126 Cb -0.04 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 40.27 1y2t s ILE 126 CO -0.00 0.54 -0.02 -1.83 0.00 0.00 0.00 174.94 173.63 1y2t s GLU 127 N 0.13 0.98 0.02 2.79 -1.05 -0.49 -1.42 118.70 119.66 1y2t s GLU 127 Ca -0.07 -0.21 -0.30 0.00 -0.15 0.00 0.00 54.97 54.23 1y2t s GLU 127 Cb -0.15 -1.55 -0.05 0.00 -0.44 0.00 0.00 34.13 31.93 1y2t s GLU 127 CO 0.05 -0.39 1.27 0.71 0.95 0.00 0.00 175.26 177.85 1y2t s TYR 128 N 1.82 3.20 -0.12 4.83 1.51 0.41 -0.47 117.35 128.53 1y2t s TYR 128 Ca 0.03 1.12 0.19 0.00 -1.01 0.00 0.00 57.07 57.40 1y2t s TYR 128 Cb -0.14 -3.51 -0.25 0.00 -0.11 0.00 0.00 41.96 37.95 1y2t s TYR 128 CO -0.07 -1.70 0.41 0.25 -1.11 0.00 0.00 175.55 173.33 1y2t n THR 129 N 4.31 0.79 -4.05 -0.71 -2.24 0.66 -4.75 114.28 108.29 1y2t n THR 129 Ca 0.11 -0.68 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 1y2t n THR 129 Cb 0.45 -0.34 -0.16 0.00 -2.10 0.00 0.00 70.33 68.19 1y2t n THR 129 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y2t s VAL 130 N -3.00 1.82 -1.18 2.28 1.01 -1.03 -4.95 120.40 115.35 1y2t s VAL 130 Ca -0.07 -0.98 0.12 0.00 0.00 0.00 0.00 61.98 61.05 1y2t s VAL 130 Cb 0.10 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1y2t s VAL 130 CO 0.86 0.33 0.74 0.35 0.00 0.00 0.00 175.10 177.38 1y2t n THR 131 N 4.65 0.00 -4.22 3.92 -2.24 -1.26 -2.84 114.28 112.29 1y2t n THR 131 Ca -0.17 -0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 61.06 1y2t n THR 131 Cb 0.48 1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 69.77 1y2t n THR 131 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1y2t s GLU 132 N -1.43 0.98 0.32 -0.78 8.01 -1.26 -4.71 118.70 119.82 1y2t s GLU 132 Ca 0.11 -1.31 0.00 0.00 0.01 0.00 0.00 54.97 53.78 1y2t s GLU 132 Cb 0.10 -0.64 0.00 0.00 -4.31 0.00 0.00 34.13 29.27 1y2t s GLU 132 CO 0.27 0.10 0.00 0.41 0.01 0.00 0.00 175.26 176.05 1y2t n GLY 133 N 0.21 -2.45 0.12 -1.39 0.00 -1.26 -4.60 105.19 95.81 1y2t n GLY 133 Ca -0.13 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 1y2t n GLY 133 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y2t h ASP 134 N 0.00 0.22 -3.88 1.61 3.32 -1.94 -3.41 116.42 112.34 1y2t h ASP 134 Ca 0.00 -0.18 -0.71 0.00 0.02 0.00 0.00 57.03 56.16 1y2t h ASP 134 Cb 0.00 -0.07 -0.33 0.00 0.22 0.00 0.00 39.33 39.15 1y2t h ASP 134 CO 0.00 1.00 -0.35 0.20 -1.72 0.00 0.00 179.24 178.37 1y2t s ASN 135 N -6.91 5.47 0.32 6.45 0.01 -1.26 -1.16 114.94 117.85 1y2t s ASN 135 Ca -0.02 -2.57 -0.04 0.00 -0.71 0.00 0.00 52.86 49.51 1y2t s ASN 135 Cb 0.10 -1.91 -0.05 0.00 0.41 0.00 0.00 41.25 39.80 1y2t s ASN 135 CO 0.83 -0.46 0.58 -0.76 -1.51 0.00 0.00 177.10 175.78 1y2t s LEU 136 N 0.36 4.00 0.01 0.60 1.43 0.61 -4.94 118.68 120.75 1y2t s LEU 136 Ca 0.14 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.98 1y2t s LEU 136 Cb -0.20 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1y2t s LEU 136 CO -0.04 -0.25 -0.07 -0.54 0.23 0.00 0.00 176.35 175.68 1y2t s LYS 137 N -3.77 0.55 -0.01 1.70 1.02 -1.13 -1.20 119.74 116.90 1y2t s LYS 137 Ca 0.44 -0.37 -0.07 0.00 0.02 0.00 0.00 55.97 55.99 1y2t s LYS 137 Cb -0.10 -0.49 0.00 0.00 -0.52 0.00 0.00 37.83 36.72 1y2t s LYS 137 CO 0.32 0.13 0.14 0.00 -0.92 0.00 0.00 175.35 175.02 1y2t s ALA 138 N -0.45 -0.35 -0.12 5.17 0.00 -0.44 -0.25 121.76 125.34 1y2t s ALA 138 Ca -0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 1y2t s ALA 138 Cb -0.04 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1y2t s ALA 138 CO -0.00 -0.19 0.28 -0.80 0.00 0.00 0.00 175.76 175.05 1y2t s ASN 139 N -1.17 6.49 -0.33 0.00 0.02 0.38 -1.56 114.94 118.76 1y2t s ASN 139 Ca -0.13 0.58 -0.09 0.00 -1.02 0.00 0.00 52.86 52.21 1y2t s ASN 139 Cb -0.07 -2.17 0.02 0.00 0.02 0.00 0.00 41.25 39.05 1y2t s ASN 139 CO 0.01 0.21 0.15 -0.22 0.02 0.00 0.00 177.10 177.27 1y2t s LEU 140 N -0.13 4.30 -0.24 0.60 2.96 0.46 -1.40 118.68 125.23 1y2t s LEU 140 Ca 0.17 -0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 53.19 1y2t s LEU 140 Cb -0.13 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1y2t s LEU 140 CO 0.06 -0.28 0.01 -0.63 -1.32 0.00 0.00 176.35 174.18 1y2t s ILE 141 N 1.53 3.73 -0.30 6.68 1.01 0.60 -0.39 121.20 134.06 1y2t s ILE 141 Ca 0.02 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 1y2t s ILE 141 Cb -0.18 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1y2t s ILE 141 CO 0.05 0.36 0.20 -0.63 0.00 0.00 0.00 174.94 174.92 1y2t s ILE 142 N 1.52 5.27 -2.23 2.92 1.01 0.62 -1.02 121.20 129.30 1y2t s ILE 142 Ca 0.06 0.03 0.30 0.00 0.00 0.00 0.00 60.65 61.04 1y2t s ILE 142 Cb -0.15 -3.58 0.74 0.00 0.01 0.00 0.00 42.46 39.49 1y2t s ILE 142 CO -0.01 0.17 2.00 0.61 0.00 0.00 0.00 174.94 177.72