#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 3.44 0.03 -1.42 1.51 0.49 -4.80 117.35 116.60 1y2t s TYR 3 Ca 0.00 0.36 0.08 0.00 -1.01 0.00 0.00 57.07 56.50 1y2t s TYR 3 Cb 0.00 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1y2t s TYR 3 CO 0.00 0.63 -0.24 0.95 -1.11 0.00 0.00 175.55 175.78 1y2t s THR 4 N -1.10 1.89 -0.24 -0.71 -4.23 0.10 -0.99 115.64 110.36 1y2t s THR 4 Ca 0.19 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 1y2t s THR 4 Cb -0.12 -1.62 0.05 0.00 1.34 0.00 0.00 72.50 72.16 1y2t s THR 4 CO 0.09 0.35 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.78 1y2t s ILE 5 N -0.74 2.00 -0.24 2.99 1.01 0.25 -0.53 121.20 125.94 1y2t s ILE 5 Ca 0.10 -1.42 -0.09 0.00 0.00 0.00 0.00 60.65 59.24 1y2t s ILE 5 Cb -0.09 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1y2t s ILE 5 CO 0.01 0.05 0.13 -0.44 0.00 0.00 0.00 174.94 174.70 1y2t s SER 6 N 1.20 5.82 -0.16 3.58 0.01 -0.34 -0.99 113.70 122.82 1y2t s SER 6 Ca -0.06 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 1y2t s SER 6 Cb -0.19 -2.05 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 1y2t s SER 6 CO -0.07 0.04 -0.12 -0.63 0.41 0.00 0.00 173.24 172.88 1y2t s ILE 7 N 1.20 3.01 -0.21 1.44 1.01 0.73 -1.12 121.20 127.27 1y2t s ILE 7 Ca 0.06 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 1y2t s ILE 7 Cb -0.14 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1y2t s ILE 7 CO 0.05 0.50 0.09 -0.13 0.00 0.00 0.00 174.94 175.45 1y2t s ARG 8 N 0.76 3.97 -0.21 2.79 0.52 -0.39 -1.51 118.95 124.89 1y2t s ARG 8 Ca -0.05 -0.34 -0.12 0.00 -0.52 0.00 0.00 55.73 54.71 1y2t s ARG 8 Cb -0.15 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 31.95 1y2t s ARG 8 CO 0.01 0.17 0.21 0.08 0.02 0.00 0.00 175.30 175.79 1y2t s VAL 9 N 0.69 5.34 -0.21 3.52 1.01 -1.26 -0.26 120.40 129.24 1y2t s VAL 9 Ca 0.05 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1y2t s VAL 9 Cb -0.13 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1y2t s VAL 9 CO 0.02 0.37 -0.16 -0.31 0.00 0.00 0.00 175.10 175.01 1y2t s TYR 10 N 0.78 2.92 -0.44 5.22 1.51 0.41 -4.97 117.35 122.79 1y2t s TYR 10 Ca 0.11 -1.76 -0.14 0.00 -1.01 0.00 0.00 57.07 54.27 1y2t s TYR 10 Cb -0.13 -1.94 0.06 0.00 -0.11 0.00 0.00 41.96 39.84 1y2t s TYR 10 CO 0.03 -0.81 0.33 -0.65 -1.11 0.00 0.00 175.55 173.35 1y2t s GLN 11 N 1.26 2.88 0.24 -0.62 -0.21 -1.26 -0.13 119.66 121.82 1y2t s GLN 11 Ca 0.01 -1.31 0.24 0.00 0.02 0.00 0.00 55.36 54.33 1y2t s GLN 11 Cb -0.15 -4.00 0.46 0.00 1.00 0.00 0.00 33.01 30.32 1y2t s GLN 11 CO -0.10 -0.94 1.51 1.79 -2.12 0.00 0.00 175.29 175.43 1y2t h THR 12 N 5.82 0.00 -4.05 -0.19 1.35 -1.60 -3.45 112.91 110.79 1y2t h THR 12 Ca -0.27 -0.68 -0.40 0.00 -0.55 0.00 0.00 66.41 64.51 1y2t h THR 12 Cb 1.10 1.50 -0.28 0.00 -1.73 0.00 0.00 68.15 68.74 1y2t h THR 12 CO 0.81 0.00 -0.78 0.42 -0.25 0.00 0.00 175.52 175.72 1y2t s THR 13 N -3.18 0.77 -2.00 6.82 -4.23 -1.26 -5.02 115.64 107.54 1y2t s THR 13 Ca 0.07 -0.45 0.03 0.00 -1.18 0.00 0.00 61.69 60.16 1y2t s THR 13 Cb 0.10 -0.65 0.10 0.00 1.34 0.00 0.00 72.50 73.39 1y2t s THR 13 CO 0.67 0.19 0.78 -0.81 -0.54 0.00 0.00 174.62 174.92 1y2t n PRO 14 N 2.76 0.61 -2.78 3.99 -0.04 -1.26 -4.68 135.00 133.61 1y2t n PRO 14 Ca -0.14 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.89 1y2t n PRO 14 Cb 0.57 -1.09 -0.04 0.00 -0.04 0.00 0.00 33.50 32.90 1y2t n PRO 14 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1y2t s LYS 15 N -2.00 3.68 0.06 0.54 1.02 -1.26 -4.82 119.74 116.96 1y2t s LYS 15 Ca 0.05 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1y2t s LYS 15 Cb 0.02 -3.88 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1y2t s LYS 15 CO 0.04 -1.15 0.00 0.41 -0.92 0.00 0.00 175.35 173.73 1y2t n GLY 16 N 4.71 -1.90 2.84 -3.33 0.00 -1.26 -4.97 105.19 101.28 1y2t n GLY 16 Ca 0.08 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.97 -0.43 -0.12 1.61 5.36 -1.26 -5.04 117.98 116.14 1y2t s PHE 17 Ca 0.00 0.51 -0.20 0.00 -0.96 0.00 0.00 56.93 56.28 1y2t s PHE 17 Cb 0.00 -0.21 -0.04 0.00 -0.34 0.00 0.00 43.02 42.43 1y2t s PHE 17 CO 0.00 -0.57 0.57 -0.06 -1.46 0.00 0.00 175.22 173.70 1y2t s PHE 18 N 2.39 3.50 0.11 10.12 0.40 -1.26 -4.01 117.98 129.24 1y2t s PHE 18 Ca 0.07 1.00 0.10 0.00 -0.60 0.00 0.00 56.93 57.50 1y2t s PHE 18 Cb -0.15 -2.67 -0.04 0.00 0.51 0.00 0.00 43.02 40.67 1y2t s PHE 18 CO -0.12 0.08 -0.25 -0.98 0.70 0.00 0.00 175.22 174.65 1y2t s ARG 19 N 0.93 1.38 0.21 0.44 1.70 -0.21 -4.88 118.95 118.52 1y2t s ARG 19 Ca 0.30 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.02 1y2t s ARG 19 Cb -0.16 -1.76 -0.09 0.00 -0.57 0.00 0.00 34.95 32.38 1y2t s ARG 19 CO 0.13 0.42 1.26 -1.25 -1.08 0.00 0.00 175.30 174.77 1y2t s PRO 20 N -1.85 4.44 0.00 3.89 0.04 -1.26 -1.34 135.00 138.91 1y2t s PRO 20 Ca 0.11 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1y2t s PRO 20 Cb -0.10 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1y2t s PRO 20 CO 0.05 -0.16 0.00 1.33 0.04 0.00 0.00 177.00 178.26 1y2t n VAL 21 N 2.36 0.00 -3.62 -0.36 0.24 -0.41 -4.93 118.33 111.62 1y2t n VAL 21 Ca 0.05 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.34 62.02 1y2t n VAL 21 Cb 0.43 0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 33.68 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 -0.50 0.61 -0.09 7.34 2.12 -1.23 -4.98 118.70 121.97 1y2t s GLU 22 Ca 0.00 0.55 -0.04 0.00 0.36 0.00 0.00 54.97 55.84 1y2t s GLU 22 Cb 0.00 0.29 0.05 0.00 0.26 0.00 0.00 34.13 34.73 1y2t s GLU 22 CO 0.00 -0.11 0.19 -0.98 -0.54 0.00 0.00 175.26 173.82 1y2t s ARG 23 N -0.09 0.10 0.19 4.30 1.70 -1.26 -1.60 118.95 122.28 1y2t s ARG 23 Ca 0.01 0.54 0.09 0.00 -0.47 0.00 0.00 55.73 55.91 1y2t s ARG 23 Cb -0.04 -0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.12 1y2t s ARG 23 CO -0.03 -0.24 -0.19 0.95 -1.08 0.00 0.00 175.30 174.71 1y2t s THR 24 N 1.86 1.97 -0.09 4.99 -4.23 -0.30 -4.97 115.64 114.87 1y2t s THR 24 Ca -0.02 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1y2t s THR 24 Cb -0.12 -1.96 0.01 0.00 1.34 0.00 0.00 72.50 71.77 1y2t s THR 24 CO -0.07 -0.33 -0.14 0.20 -0.54 0.00 0.00 174.62 173.75 1y2t s ASN 25 N -2.84 2.20 0.62 3.99 0.01 -1.26 -1.73 114.94 115.93 1y2t s ASN 25 Ca 0.19 -0.37 -0.15 0.00 -0.71 0.00 0.00 52.86 51.81 1y2t s ASN 25 Cb -0.05 -0.98 -0.02 0.00 0.41 0.00 0.00 41.25 40.60 1y2t s ASN 25 CO 0.08 0.01 1.08 0.86 -1.51 0.00 0.00 177.10 177.62 1y2t s TRP 26 N 0.95 2.86 -0.60 2.20 -0.00 -0.55 -4.95 118.94 118.85 1y2t s TRP 26 Ca -0.08 1.52 0.25 0.00 -0.00 0.00 0.00 56.10 57.79 1y2t s TRP 26 Cb -0.15 -3.06 0.55 0.00 -0.00 0.00 0.00 33.47 30.81 1y2t s TRP 26 CO -0.00 -1.32 1.61 1.57 -0.00 0.00 0.00 176.95 178.81 1y2t h LYS 27 N 0.29 0.00 -7.32 5.86 2.10 -1.88 -3.37 116.57 112.25 1y2t h LYS 27 Ca -0.47 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 57.69 1y2t h LYS 27 Cb 1.23 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 32.70 1y2t h LYS 27 CO 0.56 0.00 0.28 0.71 -2.00 0.00 0.00 179.45 179.00 1y2t s TYR 28 N -3.16 2.40 -1.56 0.07 4.12 -1.26 -3.28 117.35 114.69 1y2t s TYR 28 Ca 0.08 1.40 -0.15 0.00 0.02 0.00 0.00 57.07 58.42 1y2t s TYR 28 Cb 0.10 -3.12 0.11 0.00 -1.52 0.00 0.00 41.96 37.54 1y2t s TYR 28 CO 0.65 -2.16 0.84 0.00 0.02 0.00 0.00 175.55 174.89 1y2t n ALA 29 N -3.75 -1.22 -1.49 3.71 0.00 -1.26 -1.11 120.51 115.38 1y2t n ALA 29 Ca 0.08 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1y2t n ALA 29 Cb 0.54 -3.89 -0.03 0.00 0.00 0.00 0.00 19.45 16.07 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 -2.67 -3.97 0.00 0.00 3.02 -1.25 -4.13 115.26 106.26 1y2t n ASN 30 Ca 0.05 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1y2t n ASN 30 Cb 0.52 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.15 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 -1.61 1.88 0.00 7.41 0.00 -0.27 -4.89 105.19 107.72 1y2t n GLY 31 Ca -0.10 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 2.30 3.11 -0.02 0.00 -1.26 -4.69 105.19 104.64 1y2t n GLY 32 Ca 0.00 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.79 0.49 -0.14 2.61 -4.23 -0.42 -4.88 115.64 107.28 1y2t s THR 33 Ca 0.00 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 58.84 1y2t s THR 33 Cb 0.00 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.51 1y2t s THR 33 CO 0.00 -0.78 -0.09 0.26 -0.54 0.00 0.00 174.62 173.47 1y2t s TRP 34 N -3.09 2.90 0.08 3.99 0.52 -1.26 -1.02 118.94 121.06 1y2t s TRP 34 Ca 0.04 -0.49 0.06 0.00 0.02 0.00 0.00 56.10 55.73 1y2t s TRP 34 Cb 0.02 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.42 1y2t s TRP 34 CO -0.05 -0.13 -0.17 -0.51 0.02 0.00 0.00 176.95 176.11 1y2t s ASP 35 N 0.33 2.03 -0.24 2.95 1.01 0.10 -4.97 116.67 117.89 1y2t s ASP 35 Ca -0.08 -0.63 -0.16 0.00 0.71 0.00 0.00 52.55 52.39 1y2t s ASP 35 Cb -0.15 -0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1y2t s ASP 35 CO 0.05 -0.01 0.41 -1.61 0.21 0.00 0.00 175.17 174.21 1y2t s GLU 36 N -1.77 4.09 -0.17 8.23 2.02 -1.26 0.05 118.70 129.88 1y2t s GLU 36 Ca 0.02 0.16 -0.03 0.00 0.02 0.00 0.00 54.97 55.14 1y2t s GLU 36 Cb -0.10 -3.61 0.05 0.00 0.10 0.00 0.00 34.13 30.58 1y2t s GLU 36 CO 0.03 -0.20 0.03 0.08 0.02 0.00 0.00 175.26 175.22 1y2t s VAL 37 N 1.82 0.50 -1.51 2.63 1.01 -0.16 -4.88 120.40 119.81 1y2t s VAL 37 Ca 0.18 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1y2t s VAL 37 Cb -0.15 -0.95 0.07 0.00 0.00 0.00 0.00 36.38 35.35 1y2t s VAL 37 CO 0.09 -0.13 0.89 0.54 0.00 0.00 0.00 175.10 176.48 1y2t n ARG 38 N 5.07 -5.06 -0.79 2.72 1.74 -1.26 -1.20 116.66 117.89 1y2t n ARG 38 Ca -0.09 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1y2t n ARG 38 Cb 0.48 -5.34 0.00 0.00 -1.02 0.00 0.00 32.46 26.58 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 -1.66 0.79 3.58 -0.13 0.00 -1.26 -5.04 105.19 101.47 1y2t n GLY 39 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 2.11 -0.27 1.61 2.02 -0.34 -4.81 118.70 118.81 1y2t s GLU 40 Ca 0.00 -1.21 -0.17 0.00 0.02 0.00 0.00 54.97 53.61 1y2t s GLU 40 Cb 0.00 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 1y2t s GLU 40 CO 0.00 0.45 0.48 0.71 0.02 0.00 0.00 175.26 176.92 1y2t s TYR 41 N -1.62 3.25 -0.25 1.61 1.51 -0.57 -0.99 117.35 120.30 1y2t s TYR 41 Ca 0.25 0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 56.81 1y2t s TYR 41 Cb -0.09 -2.71 0.02 0.00 -0.11 0.00 0.00 41.96 39.07 1y2t s TYR 41 CO 0.15 -0.30 -0.04 0.08 -1.11 0.00 0.00 175.55 174.33 1y2t s VAL 42 N 2.26 3.10 -0.27 0.71 1.01 0.11 -0.19 120.40 127.13 1y2t s VAL 42 Ca 0.19 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1y2t s VAL 42 Cb -0.16 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1y2t s VAL 42 CO 0.10 0.24 0.41 -0.22 0.00 0.00 0.00 175.10 175.62 1y2t s LEU 43 N 1.38 4.05 -0.14 3.92 2.96 -0.16 -0.72 118.68 129.97 1y2t s LEU 43 Ca 0.02 0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 54.23 1y2t s LEU 43 Cb -0.16 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 1y2t s LEU 43 CO -0.04 -0.21 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.83 1y2t s THR 44 N 2.13 3.70 0.03 3.68 2.01 -0.19 -0.58 115.64 126.42 1y2t s THR 44 Ca 0.16 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.77 1y2t s THR 44 Cb -0.16 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 1y2t s THR 44 CO 0.10 0.51 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.38 1y2t s MET 45 N 0.27 0.81 0.49 4.92 -1.94 -0.17 -1.31 119.30 122.37 1y2t s MET 45 Ca -0.04 -0.66 0.28 0.00 -1.71 0.00 0.00 55.69 53.55 1y2t s MET 45 Cb -0.14 -0.77 1.13 0.00 2.01 0.00 0.00 34.83 37.05 1y2t s MET 45 CO 0.03 0.19 1.91 0.78 -0.01 0.00 0.00 175.02 177.92 1y2t h GLY 46 N 5.07 0.00 0.00 -0.03 0.00 -1.84 0.14 103.07 106.42 1y2t h GLY 46 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1y2t h GLY 46 CO 0.45 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1y2t n GLY 47 N 0.04 0.81 3.79 4.60 0.00 -1.26 -3.59 105.19 109.57 1y2t n GLY 47 Ca 0.00 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 6.35 0.00 1.61 0.15 -1.26 -4.45 113.70 116.10 1y2t s SER 48 Ca 0.00 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.63 1y2t s SER 48 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1y2t s SER 48 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1y2t n GLY 49 N -0.10 1.18 0.71 9.45 0.00 -0.01 -4.75 105.19 111.67 1y2t n GLY 49 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.83 0.00 -3.82 2.61 5.66 -1.20 -4.58 114.28 112.12 1y2t n THR 50 Ca 0.00 -0.53 -0.05 0.00 -3.05 0.00 0.00 64.05 60.42 1y2t n THR 50 Cb 0.00 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 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 -1.52 -0.10 0.06 1.09 1.04 -1.26 -2.18 113.70 110.83 1y2t s SER 51 Ca 0.07 -0.67 -0.13 0.00 0.48 0.00 0.00 55.95 55.70 1y2t s SER 51 Cb 0.00 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.74 1y2t s SER 51 CO 0.05 -1.16 0.30 -0.83 0.98 0.00 0.00 173.24 172.58 1y2t s GLY 52 N -3.10 -0.11 0.08 7.32 0.00 -0.25 -1.48 107.32 109.78 1y2t s GLY 52 Ca 0.16 -0.08 0.08 0.00 0.00 0.00 0.00 44.72 44.87 1y2t s GLY 52 CO 0.06 -0.30 -0.21 -0.56 0.00 0.00 0.00 173.10 172.09 1y2t s SER 53 N -2.22 2.50 -0.06 1.64 0.01 -0.71 -1.38 113.70 113.48 1y2t s SER 53 Ca -0.03 -0.62 0.05 0.00 1.31 0.00 0.00 55.95 56.66 1y2t s SER 53 Cb 0.00 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 1y2t s SER 53 CO -0.05 0.10 -0.22 -0.76 0.41 0.00 0.00 173.24 172.71 1y2t s LEU 54 N -1.63 2.02 -0.09 2.44 1.43 0.32 -1.15 118.68 122.01 1y2t s LEU 54 Ca 0.07 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1y2t s LEU 54 Cb -0.10 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1y2t s LEU 54 CO 0.03 0.20 -0.07 -0.60 0.23 0.00 0.00 176.35 176.14 1y2t s ARG 55 N 0.02 3.02 0.01 1.70 3.52 -0.63 -0.45 118.95 126.14 1y2t s ARG 55 Ca -0.07 -0.55 0.07 0.00 -0.13 0.00 0.00 55.73 55.04 1y2t s ARG 55 Cb -0.14 -2.67 -0.02 0.00 -1.56 0.00 0.00 34.95 30.56 1y2t s ARG 55 CO 0.04 0.53 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.80 1y2t s PHE 56 N -0.44 1.83 -0.04 5.12 0.40 -0.73 -1.28 117.98 122.85 1y2t s PHE 56 Ca 0.06 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1y2t s PHE 56 Cb -0.12 -1.14 0.00 0.00 0.51 0.00 0.00 43.02 42.27 1y2t s PHE 56 CO 0.02 0.03 -0.12 0.08 0.70 0.00 0.00 175.22 175.93 1y2t s VAL 57 N -0.63 1.02 -0.49 -0.44 1.01 -0.45 -2.02 120.40 118.41 1y2t s VAL 57 Ca 0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1y2t s VAL 57 Cb -0.08 -0.90 0.13 0.00 0.00 0.00 0.00 36.38 35.52 1y2t s VAL 57 CO 0.00 0.31 0.33 -0.55 0.00 0.00 0.00 175.10 175.19 1y2t s SER 58 N 0.20 5.50 0.36 3.32 0.15 0.66 -1.05 113.70 122.85 1y2t s SER 58 Ca -0.05 -2.16 0.12 0.00 0.70 0.00 0.00 55.95 54.57 1y2t s SER 58 Cb -0.10 -1.92 0.69 0.00 -1.71 0.00 0.00 66.02 62.97 1y2t s SER 58 CO 0.01 -0.58 1.81 0.77 1.20 0.00 0.00 173.24 176.45 1y2t h SER 59 N 8.02 0.00 -0.91 5.45 4.64 -1.81 -0.74 113.55 128.21 1y2t h SER 59 Ca -0.13 -0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.30 1y2t h SER 59 Cb 1.04 -0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.06 1y2t h SER 59 CO 0.77 0.40 0.58 0.44 -0.87 0.00 0.00 176.83 178.15 1y2t h ASP 60 N 0.00 0.79 0.00 4.97 5.19 -1.93 -3.22 116.42 122.22 1y2t h ASP 60 Ca -0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1y2t h ASP 60 Cb 0.70 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1y2t h ASP 60 CO 0.05 0.45 0.00 0.35 -3.12 0.00 0.00 179.24 176.97 1y2t n THR 61 N -4.55 0.66 -3.73 0.35 -2.24 -1.08 -5.02 114.28 98.67 1y2t n THR 61 Ca 0.16 -0.79 -0.22 0.00 -2.27 0.00 0.00 64.05 60.93 1y2t n THR 61 Cb 0.35 0.69 0.03 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.33 -1.18 -4.37 3.42 4.64 -0.35 -5.01 116.55 113.37 1y2t n ASP 62 Ca 0.00 -0.85 -0.24 0.00 -1.38 0.00 0.00 54.79 52.32 1y2t n ASP 62 Cb 0.20 -3.90 -0.11 0.00 -1.04 0.00 0.00 41.12 36.26 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 -6.04 1.37 0.06 -0.67 2.02 -0.79 -5.01 118.70 109.63 1y2t s GLU 63 Ca 0.02 -1.45 -0.27 0.00 0.02 0.00 0.00 54.97 53.29 1y2t s GLU 63 Cb -0.01 -1.54 0.09 0.00 0.10 0.00 0.00 34.13 32.78 1y2t s GLU 63 CO 0.82 0.32 0.82 -1.54 0.02 0.00 0.00 175.26 175.71 1y2t s SER 64 N -2.66 -0.39 0.10 -0.19 1.04 -1.26 -0.25 113.70 110.09 1y2t s SER 64 Ca 0.18 -0.06 -0.21 0.00 0.48 0.00 0.00 55.95 56.34 1y2t s SER 64 Cb -0.07 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1y2t s SER 64 CO 0.08 -0.75 0.52 0.72 0.98 0.00 0.00 173.24 174.79 1y2t s PHE 65 N -3.30 -0.41 -0.15 5.02 -0.12 -0.86 -4.19 117.98 113.97 1y2t s PHE 65 Ca 0.05 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.23 1y2t s PHE 65 Cb -0.01 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 1y2t s PHE 65 CO -0.08 -0.72 -0.14 0.08 -0.05 0.00 0.00 175.22 174.30 1y2t s VAL 66 N -3.17 2.78 -0.18 -2.49 1.01 0.20 -1.77 120.40 116.79 1y2t s VAL 66 Ca -0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1y2t s VAL 66 Cb -0.00 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1y2t s VAL 66 CO -0.08 0.51 -0.02 0.00 0.00 0.00 0.00 175.10 175.51 1y2t s ALA 67 N 0.73 2.99 -0.04 5.51 0.00 0.40 -0.98 121.76 130.37 1y2t s ALA 67 Ca -0.06 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.04 1y2t s ALA 67 Cb -0.15 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 1y2t s ALA 67 CO 0.01 0.02 -0.23 0.99 0.00 0.00 0.00 175.76 176.56 1y2t s THR 68 N 0.70 2.32 -0.01 0.00 2.01 -0.13 -0.52 115.64 120.00 1y2t s THR 68 Ca -0.01 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.02 1y2t s THR 68 Cb -0.14 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.52 1y2t s THR 68 CO 0.02 0.58 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.08 1y2t s PHE 69 N -0.44 0.86 0.08 4.92 0.40 -0.48 -1.70 117.98 121.62 1y2t s PHE 69 Ca 0.05 -0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.13 1y2t s PHE 69 Cb -0.12 -0.58 0.02 0.00 0.51 0.00 0.00 43.02 42.86 1y2t s PHE 69 CO 0.01 -0.04 0.32 0.41 0.70 0.00 0.00 175.22 176.61 1y2t n GLY 70 N 3.01 1.24 3.04 4.36 0.00 -0.90 -1.10 105.19 114.85 1y2t n GLY 70 Ca -0.15 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 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 1.28 -0.13 1.61 1.01 -0.93 -0.51 120.40 120.25 1y2t s VAL 71 Ca 0.07 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1y2t s VAL 71 Cb -0.01 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1y2t s VAL 71 CO 0.02 0.39 -0.14 -2.28 0.00 0.00 0.00 175.10 173.09 1y2t s HIS 72 N 0.73 2.02 -1.46 5.22 5.04 0.40 -0.83 115.29 126.41 1y2t s HIS 72 Ca -0.13 -1.05 -0.00 0.00 -1.54 0.00 0.00 55.06 52.34 1y2t s HIS 72 Cb -0.16 -1.49 0.00 0.00 0.04 0.00 0.00 32.58 30.98 1y2t s HIS 72 CO 0.03 -0.57 0.28 0.09 -2.34 0.00 0.00 174.74 172.23 1y2t n ASN 73 N 4.53 0.06 -0.17 9.88 3.02 -1.26 -1.35 115.26 129.97 1y2t n ASN 73 Ca -0.18 -1.10 -0.02 0.00 -0.03 0.00 0.00 54.58 53.25 1y2t n ASN 73 Cb 0.51 -2.56 -0.01 0.00 -0.61 0.00 0.00 39.78 37.11 1y2t n ASN 73 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1y2t n TYR 74 N -4.46 0.00 -5.02 3.10 4.02 -1.26 -5.00 117.16 108.54 1y2t n TYR 74 Ca -0.31 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.29 1y2t n TYR 74 Cb 0.69 -1.31 -0.17 0.00 -0.02 0.00 0.00 39.34 38.53 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 -1.47 2.37 0.57 -0.72 1.02 -0.46 -5.00 119.74 116.06 1y2t s LYS 75 Ca 0.00 -0.73 -0.20 0.00 0.02 0.00 0.00 55.97 55.05 1y2t s LYS 75 Cb 0.00 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1y2t s LYS 75 CO 0.00 0.21 1.29 -0.98 -0.92 0.00 0.00 175.35 174.96 1y2t s ARG 76 N 0.21 3.05 0.17 1.68 3.03 -1.26 -0.45 118.95 125.38 1y2t s ARG 76 Ca -0.11 2.07 0.01 0.00 2.03 0.00 0.00 55.73 59.72 1y2t s ARG 76 Cb -0.15 -2.12 -0.04 0.00 -1.03 0.00 0.00 34.95 31.60 1y2t s ARG 76 CO 0.05 -1.21 0.04 1.67 -1.13 0.00 0.00 175.30 174.72 1y2t s TRP 77 N -1.41 1.11 0.10 5.89 1.48 0.33 -3.71 118.94 122.74 1y2t s TRP 77 Ca 0.74 -1.13 -0.21 0.00 -1.06 0.00 0.00 56.10 54.44 1y2t s TRP 77 Cb -0.36 -0.63 0.05 0.00 -1.16 0.00 0.00 33.47 31.37 1y2t s TRP 77 CO 0.42 -0.36 0.51 0.00 -4.06 0.00 0.00 176.95 173.45 1y2t s ASP 79 N -2.44 -0.44 -0.05 0.00 3.68 -0.69 -4.74 116.67 111.99 1y2t s ASP 79 Ca -0.01 0.13 0.03 0.00 2.13 0.00 0.00 52.55 54.83 1y2t s ASP 79 Cb 0.00 0.50 0.00 0.00 -1.45 0.00 0.00 42.92 41.97 1y2t s ASP 79 CO -0.08 -0.75 -0.15 -0.63 0.13 0.00 0.00 175.17 173.69 1y2t s ILE 80 N -2.64 1.31 -0.13 4.11 1.01 -1.26 -0.96 121.20 122.64 1y2t s ILE 80 Ca -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1y2t s ILE 80 Cb -0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1y2t s ILE 80 CO -0.03 0.39 -0.17 -0.69 0.00 0.00 0.00 174.94 174.43 1y2t s VAL 81 N 0.31 2.64 0.00 2.92 1.01 -0.15 -4.90 120.40 122.22 1y2t s VAL 81 Ca -0.09 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1y2t s VAL 81 Cb -0.13 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1y2t s VAL 81 CO 0.03 0.53 0.00 1.07 0.00 0.00 0.00 175.10 176.73 1y2t n THR 82 N 3.70 0.00 -3.90 3.92 5.66 -1.26 -0.63 114.28 121.77 1y2t n THR 82 Ca -0.19 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.53 1y2t n THR 82 Cb 0.52 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.32 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 -1.53 -3.20 -4.76 1.09 3.02 -1.26 -4.90 115.26 103.73 1y2t n ASN 83 Ca 0.00 -0.84 -0.41 0.00 -0.03 0.00 0.00 54.58 53.30 1y2t n ASN 83 Cb 0.00 -3.72 -0.03 0.00 -0.61 0.00 0.00 39.78 35.42 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 -7.09 4.47 0.79 3.41 1.43 -1.26 -5.04 118.68 115.38 1y2t s LEU 84 Ca 0.43 2.44 -0.12 0.00 -1.03 0.00 0.00 54.13 55.85 1y2t s LEU 84 Cb -0.22 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.44 1y2t s LEU 84 CO 0.84 -0.38 1.11 0.42 0.23 0.00 0.00 176.35 178.57 1y2t s THR 85 N -0.79 2.91 0.11 5.49 -4.23 -1.26 -4.95 115.64 112.92 1y2t s THR 85 Ca 0.49 0.30 0.32 0.00 -1.18 0.00 0.00 61.69 61.62 1y2t s THR 85 Cb -0.36 -3.15 0.34 0.00 1.34 0.00 0.00 72.50 70.67 1y2t s THR 85 CO 0.44 -0.39 1.98 0.78 -0.54 0.00 0.00 174.62 176.90 1y2t h ASN 86 N -1.01 0.00 0.66 3.99 -0.26 -2.04 -1.88 115.58 115.04 1y2t h ASN 86 Ca -0.47 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 1y2t h ASN 86 Cb 1.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 1y2t h ASN 86 CO 0.62 0.00 -0.52 -0.62 -1.06 0.00 0.00 177.43 175.85 1y2t n GLU 87 N -2.71 0.11 -2.77 0.81 4.71 -1.26 -4.57 120.64 114.96 1y2t n GLU 87 Ca -0.01 0.03 -0.43 0.00 -0.01 0.00 0.00 57.16 56.74 1y2t n GLU 87 Cb 0.14 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 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 -1.72 3.74 -1.85 3.49 6.02 -0.71 -4.84 117.38 121.51 1y2t n GLN 88 Ca 0.05 -3.95 -0.29 0.00 -0.01 0.00 0.00 57.00 52.79 1y2t n GLN 88 Cb 0.37 -2.82 0.10 0.00 1.02 0.00 0.00 30.24 28.92 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 -0.23 2.00 0.35 5.09 -4.23 -1.26 -4.79 115.64 112.56 1y2t s THR 89 Ca 0.37 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.93 1y2t s THR 89 Cb 0.03 -2.96 0.17 0.00 1.34 0.00 0.00 72.50 71.08 1y2t s THR 89 CO 0.02 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.00 1y2t h ALA 90 N -1.15 1.42 -0.80 3.99 0.00 -1.95 -1.32 119.26 119.46 1y2t h ALA 90 Ca -0.47 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.37 1y2t h ALA 90 Cb 1.33 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1y2t h ALA 90 CO 0.64 0.41 0.43 1.25 0.00 0.00 0.00 179.25 181.98 1y2t h LEU 91 N 0.49 0.57 0.08 0.00 6.46 -1.96 -0.03 115.31 120.92 1y2t h LEU 91 Ca 0.11 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1y2t h LEU 91 Cb 0.29 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1y2t h LEU 91 CO 0.01 0.31 -0.04 0.58 -0.62 0.00 0.00 178.44 178.68 1y2t h VAL 92 N 0.69 1.20 -0.44 1.05 2.07 -1.73 -3.33 116.25 115.77 1y2t h VAL 92 Ca 0.40 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1y2t h VAL 92 Cb 0.44 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1y2t h VAL 92 CO -0.28 0.29 0.19 0.40 0.02 0.00 0.00 177.57 178.19 1y2t h ILE 93 N -0.69 1.20 -0.91 4.57 1.08 -1.05 -2.91 117.51 118.79 1y2t h ILE 93 Ca -0.01 -0.59 0.16 0.00 -0.39 0.00 0.00 64.86 64.04 1y2t h ILE 93 Cb 0.56 0.76 -0.10 0.00 -3.07 0.00 0.00 36.82 34.97 1y2t h ILE 93 CO 0.02 0.22 0.50 -1.13 -0.69 0.00 0.00 178.15 177.07 1y2t h ASN 94 N 0.57 0.63 0.87 1.72 -0.00 -1.15 -1.57 115.58 116.65 1y2t h ASN 94 Ca 0.15 0.09 -0.08 0.00 -0.00 0.00 0.00 56.30 56.46 1y2t h ASN 94 Cb 0.17 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.46 1y2t h ASN 94 CO -0.01 0.24 -0.38 1.56 -0.00 0.00 0.00 177.43 178.84 1y2t h GLN 95 N 0.68 0.00 0.00 6.67 4.20 -1.62 -3.22 115.11 121.83 1y2t h GLN 95 Ca 0.51 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.22 1y2t h GLN 95 Cb 0.74 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 1y2t h GLN 95 CO -0.37 0.38 -0.00 0.93 -0.67 0.00 0.00 178.83 179.09 1y2t h GLU 96 N 0.00 0.00 0.00 1.46 5.08 -1.24 -2.11 114.58 117.78 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 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1y2t h GLU 96 CO 0.05 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.72 1y2t n TYR 97 N -3.09 0.00 -2.98 4.33 4.02 -1.21 -1.82 117.16 116.40 1y2t n TYR 97 Ca -0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 1y2t n TYR 97 Cb 0.24 0.00 -0.02 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 -0.89 1.61 0.00 -0.72 4.02 -0.79 -4.29 117.16 116.10 1y2t n TYR 98 Ca 0.13 -3.65 0.00 0.00 -0.01 0.00 0.00 57.90 54.37 1y2t n TYR 98 Cb 0.06 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 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 0.03 0.77 3.59 2.72 0.00 -1.23 -5.09 105.19 105.97 1y2t n GLY 99 Ca 0.25 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 4.93 0.23 1.61 1.01 -0.76 -4.98 120.40 122.44 1y2t s VAL 100 Ca 0.00 0.73 -0.08 0.00 0.00 0.00 0.00 61.98 62.63 1y2t s VAL 100 Cb 0.00 -4.02 0.24 0.00 0.00 0.00 0.00 36.38 32.60 1y2t s VAL 100 CO 0.00 -0.20 1.65 -0.65 0.00 0.00 0.00 175.10 175.90 1y2t h PRO 101 N 8.30 0.11 -0.42 2.72 0.11 -1.99 0.23 132.00 141.06 1y2t h PRO 101 Ca -0.27 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1y2t h PRO 101 Cb 1.12 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1y2t h PRO 101 CO 0.81 0.07 0.06 0.97 -0.21 0.00 0.00 178.00 179.71 1y2t h ILE 102 N 0.12 1.20 0.09 4.15 2.10 -1.93 -1.48 117.51 121.76 1y2t h ILE 102 Ca 0.38 -0.76 -0.27 0.00 1.08 0.00 0.00 64.86 65.28 1y2t h ILE 102 Cb 0.64 0.82 0.03 0.00 -1.09 0.00 0.00 36.82 37.21 1y2t h ILE 102 CO -0.60 0.27 -1.12 0.03 -1.08 0.00 0.00 178.15 175.65 1y2t h ARG 103 N 0.62 0.60 -0.71 2.19 2.47 -1.39 -2.98 114.38 115.19 1y2t h ARG 103 Ca 0.14 -0.77 0.13 0.00 -1.26 0.00 0.00 59.98 58.22 1y2t h ARG 103 Cb 0.29 0.25 -0.09 0.00 -1.65 0.00 0.00 29.97 28.77 1y2t h ARG 103 CO 0.00 1.34 0.25 -0.44 0.56 0.00 0.00 179.97 181.69 1y2t h ASP 104 N 0.22 0.21 -0.78 7.04 3.32 -0.40 -2.03 116.42 123.99 1y2t h ASP 104 Ca -0.16 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1y2t h ASP 104 Cb 1.80 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 41.41 1y2t h ASP 104 CO 0.22 0.08 0.39 -0.61 -1.72 0.00 0.00 179.24 177.60 1y2t h GLN 105 N 0.40 1.12 -0.59 3.56 5.75 -1.28 -0.01 115.11 124.05 1y2t h GLN 105 Ca 0.38 -0.15 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1y2t h GLN 105 Cb 0.57 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1y2t h GLN 105 CO -0.40 0.85 0.39 0.00 -2.65 0.00 0.00 178.83 177.02 1y2t h ALA 106 N 1.20 0.75 -0.35 3.38 0.00 -1.23 -0.69 119.26 122.33 1y2t h ALA 106 Ca 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1y2t h ALA 106 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1y2t h ALA 106 CO -0.04 0.17 0.09 -0.09 0.00 0.00 0.00 179.25 179.38 1y2t h ARG 107 N 0.78 0.55 0.00 0.00 2.43 -1.09 -2.94 114.38 114.11 1y2t h ARG 107 Ca 0.22 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1y2t h ARG 107 Cb -0.07 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1y2t h ARG 107 CO -0.06 0.59 -0.07 0.93 -1.51 0.00 0.00 179.97 179.85 1y2t h GLU 108 N 0.40 0.00 0.00 0.20 5.08 -0.60 -1.98 114.58 117.69 1y2t h GLU 108 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1y2t h GLU 108 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1y2t h GLU 108 CO -0.00 0.07 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.13 1y2t h ASN 109 N 0.00 0.00 -6.45 1.42 2.35 -0.94 -3.47 115.58 108.49 1y2t h ASN 109 Ca -0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.26 1y2t h ASN 109 Cb 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1y2t h ASN 109 CO 0.01 0.05 -0.90 0.00 -1.65 0.00 0.00 177.43 174.94 1y2t n GLN 110 N -3.36 -3.00 -2.64 0.81 6.02 -0.75 -4.89 117.38 109.58 1y2t n GLN 110 Ca -0.02 0.41 -0.38 0.00 -0.01 0.00 0.00 57.00 57.00 1y2t n GLN 110 Cb 0.19 -4.45 -0.05 0.00 1.02 0.00 0.00 30.24 26.94 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 -6.89 4.42 0.13 1.08 1.43 -1.24 -4.73 118.68 112.88 1y2t s LEU 111 Ca 0.08 2.02 0.24 0.00 -1.03 0.00 0.00 54.13 55.45 1y2t s LEU 111 Cb -0.03 -3.86 0.35 0.00 0.03 0.00 0.00 46.19 42.67 1y2t s LEU 111 CO 0.88 -0.14 1.33 0.71 0.23 0.00 0.00 176.35 179.37 1y2t h THR 112 N 2.76 0.00 -2.66 5.49 1.35 -1.90 -3.34 112.91 114.61 1y2t h THR 112 Ca -0.47 -0.53 -0.10 0.00 -0.55 0.00 0.00 66.41 64.76 1y2t h THR 112 Cb 1.20 1.14 -0.21 0.00 -1.73 0.00 0.00 68.15 68.55 1y2t h THR 112 CO 0.65 0.00 -0.14 -0.94 -0.25 0.00 0.00 175.52 174.84 1y2t s SER 113 N -4.35 -0.40 -0.10 5.36 1.04 -1.26 -0.51 113.70 113.49 1y2t s SER 113 Ca 0.06 0.57 -0.17 0.00 0.48 0.00 0.00 55.95 56.89 1y2t s SER 113 Cb 0.13 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.91 1y2t s SER 113 CO 0.72 -0.36 0.42 -0.47 0.98 0.00 0.00 173.24 174.53 1y2t s TYR 114 N -0.64 -0.39 0.02 5.02 5.04 -0.55 -5.00 117.35 120.84 1y2t s TYR 114 Ca -0.07 0.84 -0.01 0.00 -2.44 0.00 0.00 57.07 55.38 1y2t s TYR 114 Cb -0.03 0.17 -0.02 0.00 0.35 0.00 0.00 41.96 42.43 1y2t s TYR 114 CO 0.04 -0.34 0.00 0.54 -1.34 0.00 0.00 175.55 174.46 1y2t s ASN 115 N -0.51 0.20 -0.06 4.32 2.20 -1.26 -0.85 114.94 118.98 1y2t s ASN 115 Ca -0.06 -0.45 -0.19 0.00 -0.94 0.00 0.00 52.86 51.21 1y2t s ASN 115 Cb -0.03 0.12 0.04 0.00 -2.00 0.00 0.00 41.25 39.38 1y2t s ASN 115 CO 0.03 -0.32 0.44 0.54 -2.94 0.00 0.00 177.10 174.85 1y2t s VAL 116 N -1.50 0.03 0.09 3.54 0.11 -0.71 -5.00 120.40 116.95 1y2t s VAL 116 Ca -0.15 -0.25 0.06 0.00 -2.93 0.00 0.00 61.98 58.71 1y2t s VAL 116 Cb -0.09 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1y2t s VAL 116 CO -0.01 -0.14 -0.08 0.00 -3.33 0.00 0.00 175.10 171.55 1y2t s ALA 117 N -0.96 3.02 0.84 1.54 0.00 -1.26 -0.71 121.76 124.22 1y2t s ALA 117 Ca -0.10 -1.19 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 1y2t s ALA 117 Cb -0.03 -0.98 0.14 0.00 0.00 0.00 0.00 23.12 22.25 1y2t s ALA 117 CO 0.05 0.65 1.17 0.54 0.00 0.00 0.00 175.76 178.17 1y2t s ASN 118 N -2.11 3.89 0.59 0.00 2.20 -0.19 -4.94 114.94 114.38 1y2t s ASN 118 Ca 0.22 0.20 0.36 0.00 -0.94 0.00 0.00 52.86 52.70 1y2t s ASN 118 Cb -0.11 -0.49 1.82 0.00 -2.00 0.00 0.00 41.25 40.47 1y2t s ASN 118 CO 0.14 -2.21 2.18 0.00 -2.94 0.00 0.00 177.10 174.26 1y2t h ALA 119 N -1.11 1.12 -0.00 3.54 0.00 -1.97 -2.14 119.26 118.69 1y2t h ALA 119 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1y2t h ALA 119 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1y2t h ALA 119 CO 0.46 0.05 -0.08 1.63 0.00 0.00 0.00 179.25 181.30 1y2t n LYS 120 N -3.31 0.87 0.00 0.00 5.02 -1.26 -4.93 118.16 114.55 1y2t n LYS 120 Ca -0.02 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1y2t n LYS 120 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.23 0.28 3.72 0.72 0.00 -0.81 -5.07 105.19 105.27 1y2t n GLY 121 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.96 4.47 0.01 1.61 3.52 -1.26 -4.82 118.95 121.51 1y2t s ARG 122 Ca 0.00 1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 56.55 1y2t s ARG 122 Cb 0.00 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 1y2t s ARG 122 CO 0.00 0.10 0.25 0.50 -0.81 0.00 0.00 175.30 175.34 1y2t s ARG 123 N 0.63 3.54 0.06 5.12 3.52 -1.26 -1.03 118.95 129.53 1y2t s ARG 123 Ca 0.40 -0.14 0.07 0.00 -0.13 0.00 0.00 55.73 55.93 1y2t s ARG 123 Cb -0.19 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1y2t s ARG 123 CO 0.21 0.65 -0.20 -0.06 -0.81 0.00 0.00 175.30 175.09 1y2t s PHE 124 N -1.32 1.72 -0.02 5.12 0.40 0.11 -0.54 117.98 123.45 1y2t s PHE 124 Ca 0.28 -0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 56.19 1y2t s PHE 124 Cb -0.13 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.40 1y2t s PHE 124 CO 0.17 0.11 0.09 0.00 0.70 0.00 0.00 175.22 176.29 1y2t s ALA 125 N -0.89 -0.22 -0.13 5.36 0.00 -0.13 -1.75 121.76 124.00 1y2t s ALA 125 Ca 0.06 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 1y2t s ALA 125 Cb -0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1y2t s ALA 125 CO 0.02 -0.10 -0.06 0.42 0.00 0.00 0.00 175.76 176.05 1y2t s ILE 126 N -0.43 3.70 -0.22 0.00 1.01 -0.03 -0.31 121.20 124.93 1y2t s ILE 126 Ca -0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 1y2t s ILE 126 Cb -0.03 -2.59 0.07 0.00 0.01 0.00 0.00 42.46 39.91 1y2t s ILE 126 CO 0.00 0.52 0.03 -0.70 0.00 0.00 0.00 174.94 174.79 1y2t s GLU 127 N 0.14 0.82 -0.10 2.79 2.12 -0.08 -1.48 118.70 122.90 1y2t s GLU 127 Ca -0.02 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 1y2t s GLU 127 Cb -0.14 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 1y2t s GLU 127 CO 0.03 -0.69 1.34 0.71 -0.54 0.00 0.00 175.26 176.12 1y2t s TYR 128 N 1.75 2.75 -0.10 5.30 1.51 0.34 -0.03 117.35 128.87 1y2t s TYR 128 Ca -0.00 0.87 0.16 0.00 -1.01 0.00 0.00 57.07 57.08 1y2t s TYR 128 Cb -0.17 -3.59 -0.20 0.00 -0.11 0.00 0.00 41.96 37.88 1y2t s TYR 128 CO -0.10 -2.14 0.61 0.25 -1.11 0.00 0.00 175.55 173.05 1y2t n THR 129 N 5.14 1.33 -4.08 -0.71 -2.24 0.34 -4.68 114.28 109.39 1y2t n THR 129 Ca 0.14 -0.75 -0.33 0.00 -2.27 0.00 0.00 64.05 60.84 1y2t n THR 129 Cb 0.44 -0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.75 2.21 -1.28 2.28 1.01 -1.06 -4.96 120.40 115.84 1y2t s VAL 130 Ca -0.05 -1.24 0.15 0.00 0.00 0.00 0.00 61.98 60.83 1y2t s VAL 130 Cb 0.08 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1y2t s VAL 130 CO 0.82 0.26 0.79 0.35 0.00 0.00 0.00 175.10 177.32 1y2t n THR 131 N 4.55 0.00 -4.20 3.92 -2.24 -1.26 -2.69 114.28 112.36 1y2t n THR 131 Ca -0.17 -0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 1y2t n THR 131 Cb 0.46 1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 69.74 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 -1.84 0.90 0.44 -0.78 2.02 -1.26 -4.70 118.70 113.48 1y2t s GLU 132 Ca 0.12 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.85 1y2t s GLU 132 Cb 0.12 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.82 1y2t s GLU 132 CO 0.39 0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1y2t n GLY 133 N 0.30 -1.80 0.13 -1.39 0.00 -1.26 -4.63 105.19 96.54 1y2t n GLY 133 Ca -0.14 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.15 1y2t n GLY 133 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1y2t h ASP 134 N 0.00 0.00 -3.18 1.61 2.03 -1.93 -3.41 116.42 111.54 1y2t h ASP 134 Ca 0.00 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.68 1y2t h ASP 134 Cb 0.00 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 38.08 1y2t h ASP 134 CO 0.00 0.09 -0.59 0.20 -1.03 0.00 0.00 179.24 177.91 1y2t s ASN 135 N -5.55 4.71 0.45 4.15 0.01 -1.26 -0.72 114.94 116.73 1y2t s ASN 135 Ca 0.00 -3.78 -0.21 0.00 -0.71 0.00 0.00 52.86 48.16 1y2t s ASN 135 Cb 0.09 -1.61 -0.10 0.00 0.41 0.00 0.00 41.25 40.04 1y2t s ASN 135 CO 0.78 -0.10 1.00 -0.76 -1.51 0.00 0.00 177.10 176.51 1y2t s LEU 136 N -1.34 3.93 0.00 0.60 1.43 0.31 -4.94 118.68 118.67 1y2t s LEU 136 Ca 0.24 1.84 0.03 0.00 -1.03 0.00 0.00 54.13 55.21 1y2t s LEU 136 Cb -0.06 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.66 1y2t s LEU 136 CO -0.15 -0.55 -0.10 -0.54 0.23 0.00 0.00 176.35 175.23 1y2t s LYS 137 N -3.09 0.80 -0.01 1.70 -0.14 -1.09 -1.20 119.74 116.70 1y2t s LYS 137 Ca 0.64 -0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 54.78 1y2t s LYS 137 Cb -0.14 -0.77 0.00 0.00 -1.68 0.00 0.00 37.83 35.24 1y2t s LYS 137 CO 0.18 0.21 0.09 0.00 -0.76 0.00 0.00 175.35 175.06 1y2t s ALA 138 N -0.37 -0.20 -0.12 5.17 0.00 -0.28 -0.50 121.76 125.45 1y2t s ALA 138 Ca 0.03 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.78 1y2t s ALA 138 Cb -0.05 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1y2t s ALA 138 CO -0.00 -0.14 0.35 -0.80 0.00 0.00 0.00 175.76 175.17 1y2t s ASN 139 N -0.83 6.55 -0.38 0.00 0.02 0.96 -1.26 114.94 120.00 1y2t s ASN 139 Ca -0.09 0.65 -0.11 0.00 -1.02 0.00 0.00 52.86 52.29 1y2t s ASN 139 Cb -0.05 -2.21 0.03 0.00 0.02 0.00 0.00 41.25 39.03 1y2t s ASN 139 CO 0.00 0.12 0.21 -0.22 0.02 0.00 0.00 177.10 177.23 1y2t s LEU 140 N 0.21 4.74 -0.25 0.60 2.96 0.64 -0.90 118.68 126.68 1y2t s LEU 140 Ca 0.20 -1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.01 1y2t s LEU 140 Cb -0.14 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1y2t s LEU 140 CO 0.07 -0.40 0.05 -0.63 -1.32 0.00 0.00 176.35 174.12 1y2t s ILE 141 N 1.54 4.13 -0.30 6.68 1.01 0.58 -0.44 121.20 134.40 1y2t s ILE 141 Ca 0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 1y2t s ILE 141 Cb -0.19 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 1y2t s ILE 141 CO 0.06 0.34 0.18 -0.63 0.00 0.00 0.00 174.94 174.89 1y2t s ILE 142 N 1.59 4.99 -2.07 2.92 1.01 0.81 -0.95 121.20 129.49 1y2t s ILE 142 Ca 0.06 -0.11 0.31 0.00 0.00 0.00 0.00 60.65 60.91 1y2t s ILE 142 Cb -0.15 -3.46 0.86 0.00 0.01 0.00 0.00 42.46 39.72 1y2t s ILE 142 CO 0.02 0.16 2.16 0.61 0.00 0.00 0.00 174.94 177.89