#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w4y n LEU 2 N 0.00 0.00 0.00 0.00 7.94 -1.26 -4.83 117.00 118.85 2w4y n LEU 2 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2w4y n LEU 2 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2w4y n LEU 2 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2w4y n GLY 3 N 0.00 3.57 0.07 -3.96 0.00 -1.26 -4.89 105.19 98.72 2w4y n GLY 3 Ca 0.00 -1.79 0.07 0.00 0.00 0.00 0.00 46.02 44.30 2w4y n GLY 3 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w4y n ASP 4 N 0.00 0.48 -4.42 1.61 -0.08 -1.26 -4.90 116.55 107.99 2w4y n ASP 4 Ca 0.00 0.20 -0.21 0.00 -1.51 0.00 0.00 54.79 53.26 2w4y n ASP 4 Cb 0.00 0.98 -0.10 0.00 2.34 0.00 0.00 41.12 44.34 2w4y n ASP 4 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2w4y s THR 5 N -3.26 2.03 -0.04 5.18 -4.23 -1.26 -0.56 115.64 113.50 2w4y s THR 5 Ca -0.04 -2.27 -0.00 0.00 -1.18 0.00 0.00 61.69 58.19 2w4y s THR 5 Cb 0.11 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.74 2w4y s THR 5 CO 0.84 -0.46 0.01 -0.22 -0.54 0.00 0.00 174.62 174.25 2w4y s LEU 6 N -3.42 0.90 -0.27 4.79 0.20 -0.28 -4.94 118.68 115.65 2w4y s LEU 6 Ca 0.27 -0.03 -0.09 0.00 0.69 0.00 0.00 54.13 54.97 2w4y s LEU 6 Cb -0.02 -0.27 -0.03 0.00 -0.43 0.00 0.00 46.19 45.45 2w4y s LEU 6 CO 0.11 -0.14 0.12 -0.89 -0.29 0.00 0.00 176.35 175.26 2w4y s THR 7 N 1.38 4.64 -0.40 3.68 2.01 -1.26 -0.15 115.64 125.54 2w4y s THR 7 Ca -0.05 -0.14 -0.17 0.00 0.31 0.00 0.00 61.69 61.64 2w4y s THR 7 Cb -0.13 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.16 2w4y s THR 7 CO -0.03 0.25 0.45 -0.63 -0.69 0.00 0.00 174.62 173.98 2w4y s ILE 8 N 1.65 5.07 -0.69 1.82 1.01 0.08 -4.87 121.20 125.27 2w4y s ILE 8 Ca 0.06 -0.17 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 2w4y s ILE 8 Cb -0.16 -4.01 0.16 0.00 0.01 0.00 0.00 42.46 38.46 2w4y s ILE 8 CO 0.06 -0.37 0.67 -0.89 0.00 0.00 0.00 174.94 174.42 2w4y s THR 9 N 2.21 5.30 0.25 2.92 2.01 -1.26 -0.17 115.64 126.90 2w4y s THR 9 Ca 0.14 -1.83 -0.31 0.00 0.31 0.00 0.00 61.69 60.00 2w4y s THR 9 Cb -0.16 -4.44 -0.13 0.00 0.01 0.00 0.00 72.50 67.78 2w4y s THR 9 CO 0.14 -1.01 1.53 0.18 -0.69 0.00 0.00 174.62 174.77 2w4y n LEU 10 N 4.95 3.72 0.00 4.42 4.77 0.18 -1.26 117.00 133.77 2w4y n LEU 10 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2w4y n LEU 10 Cb 0.44 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 2w4y n LEU 10 CO 0.46 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2w4y n GLY 11 N 2.40 0.59 7.00 -0.72 0.00 -1.26 -1.13 105.19 112.07 2w4y n GLY 11 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2w4y n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w4y n GLY 12 N -2.79 -0.53 3.62 -0.02 0.00 -0.39 -4.47 105.19 100.61 2w4y n GLY 12 Ca 0.00 -1.11 -0.49 0.00 0.00 0.00 0.00 46.02 44.42 2w4y n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2w4y n SER 13 N -0.86 2.17 0.00 1.61 2.88 -1.26 -0.61 113.62 117.54 2w4y n SER 13 Ca 0.00 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2w4y n SER 13 Cb 0.00 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 2w4y n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2w4y n GLY 14 N 2.65 1.85 0.00 0.46 0.00 -1.26 -5.01 105.19 103.88 2w4y n GLY 14 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2w4y n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w4y n GLY 15 N -2.00 -1.04 3.56 -0.02 0.00 0.22 -4.97 105.19 100.94 2w4y n GLY 15 Ca 0.00 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 2w4y n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w4y s THR 16 N 0.00 4.66 0.16 2.61 2.01 -0.28 -4.80 115.64 120.00 2w4y s THR 16 Ca 0.00 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.29 2w4y s THR 16 Cb 0.00 -4.29 -0.07 0.00 0.01 0.00 0.00 72.50 68.14 2w4y s THR 16 CO 0.00 -0.64 1.10 0.00 -0.69 0.00 0.00 174.62 174.39 2w4y s ALA 17 N 3.27 3.36 -0.23 7.40 0.00 -1.26 -0.65 121.76 133.65 2w4y s ALA 17 Ca 0.31 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.08 2w4y s ALA 17 Cb -0.12 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.70 2w4y s ALA 17 CO 0.21 -0.22 -0.07 0.15 0.00 0.00 0.00 175.76 175.83 2w4y s LYS 18 N -0.20 1.79 -0.48 0.00 -0.14 0.76 -4.96 119.74 116.51 2w4y s LYS 18 Ca 0.50 -1.00 -0.20 0.00 -1.36 0.00 0.00 55.97 53.91 2w4y s LYS 18 Cb -0.29 -2.59 0.04 0.00 -1.68 0.00 0.00 37.83 33.31 2w4y s LYS 18 CO 0.34 -0.56 0.64 0.08 -0.76 0.00 0.00 175.35 175.09 2w4y s VAL 19 N 1.36 4.84 0.41 3.17 1.01 -1.26 -0.74 120.40 129.19 2w4y s VAL 19 Ca -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 2w4y s VAL 19 Cb -0.18 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2w4y s VAL 19 CO -0.06 -0.71 0.69 -0.76 0.00 0.00 0.00 175.10 174.25 2w4y s LEU 20 N 2.76 3.81 -0.01 3.92 1.43 0.78 -4.82 118.68 126.56 2w4y s LEU 20 Ca 0.19 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 2w4y s LEU 20 Cb -0.16 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 2w4y s LEU 20 CO 0.15 -0.43 -0.12 -0.13 0.23 0.00 0.00 176.35 176.05 2w4y s ARG 21 N -4.39 2.45 0.01 1.70 1.81 -0.48 -1.13 118.95 118.93 2w4y s ARG 21 Ca 0.45 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 53.41 2w4y s ARG 21 Cb -0.10 -2.40 -0.06 0.00 -0.45 0.00 0.00 34.95 31.93 2w4y s ARG 21 CO 0.39 0.60 1.50 0.21 -0.68 0.00 0.00 175.30 177.33 2w4y s LYS 22 N -1.13 4.24 -0.00 3.54 2.20 0.28 -0.38 119.74 128.49 2w4y s LYS 22 Ca 0.14 2.10 0.02 0.00 -0.36 0.00 0.00 55.97 57.87 2w4y s LYS 22 Cb -0.11 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 2w4y s LYS 22 CO 0.04 -0.66 0.08 0.44 -0.36 0.00 0.00 175.35 174.89 2w4y n ILE 23 N 4.79 0.00 -3.57 5.43 -5.35 0.51 -4.93 119.36 116.24 2w4y n ILE 23 Ca 0.14 -0.31 -0.13 0.00 -0.27 0.00 0.00 62.75 62.19 2w4y n ILE 23 Cb 0.43 0.81 -0.06 0.00 -1.74 0.00 0.00 39.64 39.08 2w4y n ILE 23 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2w4y s ASN 24 N -1.58 -0.46 -0.22 7.28 2.47 -1.15 -5.02 114.94 116.25 2w4y s ASN 24 Ca 0.00 0.55 -0.04 0.00 0.42 0.00 0.00 52.86 53.80 2w4y s ASN 24 Cb 0.02 0.44 0.12 0.00 -1.45 0.00 0.00 41.25 40.37 2w4y s ASN 24 CO 0.09 -0.40 0.35 0.00 -3.72 0.00 0.00 177.10 173.42 2w4y s GLN 25 N -0.99 0.30 -0.01 0.43 1.03 -1.26 -0.99 119.66 118.17 2w4y s GLN 25 Ca -0.04 0.57 -0.06 0.00 0.04 0.00 0.00 55.36 55.87 2w4y s GLN 25 Cb -0.01 -0.45 0.00 0.00 0.03 0.00 0.00 33.01 32.59 2w4y s GLN 25 CO 0.03 -0.56 0.12 -0.51 -2.54 0.00 0.00 175.29 171.83 2w4y s ASP 26 N 2.51 -0.00 -1.39 12.60 -0.00 -0.96 -4.93 116.67 124.50 2w4y s ASP 26 Ca 0.09 -0.10 -0.01 0.00 -0.00 0.00 0.00 52.55 52.53 2w4y s ASP 26 Cb -0.15 0.22 0.01 0.00 -0.00 0.00 0.00 42.92 43.00 2w4y s ASP 26 CO -0.14 -0.28 0.55 0.61 -0.00 0.00 0.00 175.17 175.91 2w4y n GLY 27 N 1.89 -0.26 3.61 0.21 0.00 -1.26 -1.93 105.19 107.44 2w4y n GLY 27 Ca -0.20 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 2w4y n GLY 27 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2w4y n TYR 28 N -4.37 -2.24 -3.86 1.61 4.02 -1.26 -4.78 117.16 106.29 2w4y n TYR 28 Ca -0.28 0.92 -0.11 0.00 -0.01 0.00 0.00 57.90 58.42 2w4y n TYR 28 Cb 0.67 -4.72 -0.10 0.00 -0.02 0.00 0.00 39.34 35.17 2w4y n TYR 28 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2w4y s THR 29 N -3.45 0.08 0.10 -0.72 2.01 -0.81 -1.90 115.64 110.96 2w4y s THR 29 Ca 0.19 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.54 2w4y s THR 29 Cb -0.09 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 2w4y s THR 29 CO 0.77 -0.38 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.76 2w4y s SER 30 N -1.46 1.71 -0.05 3.53 0.01 -0.22 -2.27 113.70 114.95 2w4y s SER 30 Ca -0.14 -0.78 -0.02 0.00 1.31 0.00 0.00 55.95 56.32 2w4y s SER 30 Cb -0.07 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.17 2w4y s SER 30 CO 0.01 -0.19 0.08 -0.70 0.41 0.00 0.00 173.24 172.86 2w4y s GLU 31 N -2.59 -0.03 0.16 12.44 2.12 -0.16 -1.77 118.70 128.87 2w4y s GLU 31 Ca 0.06 0.38 0.07 0.00 0.36 0.00 0.00 54.97 55.84 2w4y s GLU 31 Cb -0.05 -0.38 -0.04 0.00 0.26 0.00 0.00 34.13 33.93 2w4y s GLU 31 CO 0.02 -0.28 -0.00 0.71 -0.54 0.00 0.00 175.26 175.17 2w4y s TYR 32 N 1.90 2.86 -0.05 5.30 1.51 0.23 -0.37 117.35 128.73 2w4y s TYR 32 Ca 0.01 -0.12 -0.17 0.00 -1.01 0.00 0.00 57.07 55.77 2w4y s TYR 32 Cb -0.12 -1.40 0.03 0.00 -0.11 0.00 0.00 41.96 40.36 2w4y s TYR 32 CO -0.04 0.51 0.39 -0.47 -1.11 0.00 0.00 175.55 174.83 2w4y s TYR 33 N -1.65 -0.32 -0.28 2.71 5.04 0.49 -1.89 117.35 121.45 2w4y s TYR 33 Ca 0.27 0.60 -0.01 0.00 -2.44 0.00 0.00 57.07 55.49 2w4y s TYR 33 Cb -0.10 0.16 0.13 0.00 0.35 0.00 0.00 41.96 42.50 2w4y s TYR 33 CO 0.18 -0.38 0.29 -1.17 -1.34 0.00 0.00 175.55 173.13 2w4y s LEU 34 N -0.94 -0.25 0.42 6.97 2.96 -0.05 -1.38 118.68 126.41 2w4y s LEU 34 Ca -0.10 -0.63 -0.17 0.00 -0.22 0.00 0.00 54.13 53.01 2w4y s LEU 34 Cb -0.04 0.53 -0.09 0.00 0.50 0.00 0.00 46.19 47.09 2w4y s LEU 34 CO 0.04 -0.38 0.88 -2.16 -1.32 0.00 0.00 176.35 173.42 2w4y s PRO 35 N 2.37 4.04 0.33 0.98 0.04 -1.26 -0.89 135.00 140.61 2w4y s PRO 35 Ca 0.09 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.06 2w4y s PRO 35 Cb -0.14 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 2w4y s PRO 35 CO -0.29 -0.04 0.32 -1.21 0.04 0.00 0.00 177.00 175.82 2w4y s GLU 36 N -3.44 1.77 -0.00 4.56 2.02 -0.49 -4.94 118.70 118.18 2w4y s GLU 36 Ca 0.58 -1.93 -0.22 0.00 0.02 0.00 0.00 54.97 53.42 2w4y s GLU 36 Cb -0.10 0.35 -0.20 0.00 0.10 0.00 0.00 34.13 34.29 2w4y s GLU 36 CO 0.21 -0.67 1.16 1.79 0.02 0.00 0.00 175.26 177.77 2w4y h THR 37 N 2.15 1.44 0.00 3.63 1.35 -2.01 -3.36 112.91 116.11 2w4y h THR 37 Ca -0.26 -1.74 -0.27 0.00 -0.55 0.00 0.00 66.41 63.59 2w4y h THR 37 Cb 1.23 2.39 -0.05 0.00 -1.73 0.00 0.00 68.15 70.00 2w4y h THR 37 CO 0.38 0.49 -1.54 0.77 -0.25 0.00 0.00 175.52 175.37 2w4y h SER 38 N -0.22 0.00 -5.20 5.36 4.64 -1.97 -3.48 113.55 112.69 2w4y h SER 38 Ca -0.02 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 2w4y h SER 38 Cb 0.96 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.00 2w4y h SER 38 CO 0.06 0.99 0.06 -0.94 -0.87 0.00 0.00 176.83 176.13 2w4y s SER 39 N -6.22 0.20 0.02 4.97 1.04 -1.26 -1.63 113.70 110.83 2w4y s SER 39 Ca -0.03 -1.12 -0.02 0.00 0.48 0.00 0.00 55.95 55.26 2w4y s SER 39 Cb 0.08 0.73 -0.02 0.00 0.10 0.00 0.00 66.02 66.91 2w4y s SER 39 CO 0.82 -1.42 0.00 -0.94 0.98 0.00 0.00 173.24 172.69 2w4y s SER 40 N -3.08 0.25 -0.01 7.02 1.04 -0.34 -1.39 113.70 117.18 2w4y s SER 40 Ca 0.20 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 56.12 2w4y s SER 40 Cb -0.03 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 2w4y s SER 40 CO 0.13 -0.38 -0.11 -0.36 0.98 0.00 0.00 173.24 173.50 2w4y s PHE 41 N -1.97 2.78 -0.03 5.02 0.40 -0.07 -0.55 117.98 123.57 2w4y s PHE 41 Ca -0.11 -0.10 -0.02 0.00 -0.60 0.00 0.00 56.93 56.09 2w4y s PHE 41 Cb -0.06 -1.60 0.01 0.00 0.51 0.00 0.00 43.02 41.89 2w4y s PHE 41 CO -0.03 0.30 0.07 0.50 0.70 0.00 0.00 175.22 176.77 2w4y s ARG 42 N -1.19 0.07 -0.05 0.44 3.52 -0.32 -0.87 118.95 120.55 2w4y s ARG 42 Ca 0.15 0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.91 2w4y s ARG 42 Cb -0.11 -0.00 0.01 0.00 -1.56 0.00 0.00 34.95 33.29 2w4y s ARG 42 CO 0.05 -0.04 -0.13 0.00 -0.81 0.00 0.00 175.30 174.37 2w4y s ALA 43 N 0.22 1.23 -0.04 6.12 0.00 -0.79 -0.46 121.76 128.03 2w4y s ALA 43 Ca -0.01 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.51 2w4y s ALA 43 Cb -0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 2w4y s ALA 43 CO -0.01 0.17 -0.15 0.15 0.00 0.00 0.00 175.76 175.92 2w4y s LYS 44 N 0.34 1.62 -0.14 0.00 1.02 -0.34 -0.60 119.74 121.64 2w4y s LYS 44 Ca -0.08 -0.54 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 2w4y s LYS 44 Cb -0.12 -1.42 -0.02 0.00 -0.52 0.00 0.00 37.83 35.75 2w4y s LYS 44 CO 0.02 0.21 -0.12 0.08 -0.92 0.00 0.00 175.35 174.63 2w4y s VAL 45 N 0.09 3.17 -0.02 3.17 1.01 -0.73 -0.97 120.40 126.12 2w4y s VAL 45 Ca -0.04 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2w4y s VAL 45 Cb -0.11 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2w4y s VAL 45 CO 0.02 0.52 -0.06 -0.13 0.00 0.00 0.00 175.10 175.44 2w4y s ARG 46 N 0.38 0.64 -0.06 2.72 0.52 0.31 -1.06 118.95 122.41 2w4y s ARG 46 Ca -0.10 -0.21 0.05 0.00 -0.52 0.00 0.00 55.73 54.96 2w4y s ARG 46 Cb -0.16 -0.63 -0.01 0.00 0.52 0.00 0.00 34.95 34.68 2w4y s ARG 46 CO 0.05 0.09 -0.22 -1.01 0.02 0.00 0.00 175.30 174.23 2w4y s HIS 47 N 0.14 2.20 0.09 -0.53 3.76 -0.80 -0.18 115.29 119.96 2w4y s HIS 47 Ca -0.01 -0.68 0.04 0.00 -0.15 0.00 0.00 55.06 54.25 2w4y s HIS 47 Cb -0.06 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.14 2w4y s HIS 47 CO -0.00 -0.22 -0.10 0.99 -0.85 0.00 0.00 174.74 174.55 2w4y s THR 48 N -0.03 0.91 -0.34 1.30 2.01 0.37 -4.85 115.64 115.01 2w4y s THR 48 Ca -0.05 -1.56 -0.01 0.00 0.31 0.00 0.00 61.69 60.38 2w4y s THR 48 Cb -0.14 -1.27 0.11 0.00 0.01 0.00 0.00 72.50 71.22 2w4y s THR 48 CO 0.04 -0.52 0.15 -0.75 -0.69 0.00 0.00 174.62 172.85 2w4y s LYS 49 N -2.60 0.71 0.32 4.92 2.20 -1.26 -0.66 119.74 123.36 2w4y s LYS 49 Ca 0.03 -1.20 -0.27 0.00 -0.36 0.00 0.00 55.97 54.18 2w4y s LYS 49 Cb -0.04 -1.82 -0.13 0.00 -1.51 0.00 0.00 37.83 34.33 2w4y s LYS 49 CO 0.00 -1.06 0.95 0.39 -0.36 0.00 0.00 175.35 175.28 2w4y n GLU 50 N 4.55 1.24 -1.71 4.03 1.02 -0.22 -4.88 120.64 124.67 2w4y n GLU 50 Ca 0.01 0.44 -0.38 0.00 -0.02 0.00 0.00 57.16 57.21 2w4y n GLU 50 Cb 0.40 -1.82 0.05 0.00 -0.02 0.00 0.00 31.44 30.05 2w4y n GLU 50 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2w4y n SER 51 N 1.15 2.24 -4.65 1.62 3.41 -1.26 -4.50 113.62 111.62 2w4y n SER 51 Ca 0.10 0.94 -0.43 0.00 -0.26 0.00 0.00 58.87 59.22 2w4y n SER 51 Cb 0.33 -1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 62.73 2w4y n SER 51 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2w4y s VAL 52 N -1.33 3.84 0.22 -3.33 1.01 -1.26 -4.88 120.40 114.67 2w4y s VAL 52 Ca 0.73 0.99 -0.00 0.00 0.00 0.00 0.00 61.98 63.70 2w4y s VAL 52 Cb -0.42 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2w4y s VAL 52 CO 0.48 -0.16 0.42 -0.54 0.00 0.00 0.00 175.10 175.30 2w4y s LYS 53 N 4.04 3.52 0.13 2.72 -0.14 -1.26 -5.02 119.74 123.72 2w4y s LYS 53 Ca 0.67 -0.35 -0.32 0.00 -1.36 0.00 0.00 55.97 54.61 2w4y s LYS 53 Cb -0.27 -2.81 -0.09 0.00 -1.68 0.00 0.00 37.83 32.98 2w4y s LYS 53 CO 0.25 0.36 1.57 -1.00 -0.76 0.00 0.00 175.35 175.77 2w4y h PRO 54 N 1.79 -0.52 -2.20 -1.68 0.13 -2.01 -3.29 132.00 124.23 2w4y h PRO 54 Ca -0.48 0.04 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 2w4y h PRO 54 Cb 1.20 0.12 -0.41 0.00 0.13 0.00 0.00 31.00 32.03 2w4y h PRO 54 CO 0.67 -0.34 -0.74 -1.71 -0.23 0.00 0.00 178.00 175.64 2w4y n ASN 55 N -5.44 2.65 -3.56 1.44 5.15 -1.26 -5.06 115.26 109.18 2w4y n ASN 55 Ca -0.05 -3.20 -0.11 0.00 -0.60 0.00 0.00 54.58 50.62 2w4y n ASN 55 Cb 0.37 -0.66 -0.03 0.00 -0.53 0.00 0.00 39.78 38.93 2w4y n ASN 55 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2w4y s GLN 56 N -2.00 1.23 0.24 1.20 -0.21 -1.24 -5.14 119.66 113.74 2w4y s GLN 56 Ca 0.37 -0.64 -0.30 0.00 0.02 0.00 0.00 55.36 54.82 2w4y s GLN 56 Cb 0.14 0.54 -0.09 0.00 1.00 0.00 0.00 33.01 34.60 2w4y s GLN 56 CO -0.05 -0.52 1.00 0.08 -2.12 0.00 0.00 175.29 173.68 2w4y s VAL 57 N -3.79 3.90 -0.26 1.09 1.01 -1.26 -4.64 120.40 116.44 2w4y s VAL 57 Ca 0.03 1.87 -0.11 0.00 0.00 0.00 0.00 61.98 63.77 2w4y s VAL 57 Cb -0.00 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2w4y s VAL 57 CO -0.10 0.43 0.20 -1.58 0.00 0.00 0.00 175.10 174.04 2w4y s GLN 58 N -1.12 4.00 0.25 2.72 0.74 -1.26 -4.88 119.66 120.11 2w4y s GLN 58 Ca 0.43 -0.27 0.06 0.00 0.05 0.00 0.00 55.36 55.63 2w4y s GLN 58 Cb -0.28 -3.62 -0.03 0.00 1.10 0.00 0.00 33.01 30.18 2w4y s GLN 58 CO 0.35 -0.10 0.31 0.71 -0.55 0.00 0.00 175.29 176.00 2w4y s TYR 59 N 1.54 3.29 0.08 1.67 1.51 -1.26 -0.56 117.35 123.62 2w4y s TYR 59 Ca 0.08 -0.07 0.09 0.00 -1.01 0.00 0.00 57.07 56.16 2w4y s TYR 59 Cb -0.15 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 2w4y s TYR 59 CO 0.09 0.43 -0.24 -1.21 -1.11 0.00 0.00 175.55 173.50 2w4y s GLU 60 N -3.95 1.46 -0.02 -0.62 2.02 0.22 -1.05 118.70 116.78 2w4y s GLU 60 Ca 0.35 -1.14 0.06 0.00 0.02 0.00 0.00 54.97 54.26 2w4y s GLU 60 Cb -0.09 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 32.40 2w4y s GLU 60 CO 0.28 0.43 -0.21 1.03 0.02 0.00 0.00 175.26 176.81 2w4y s ARG 61 N -1.57 1.69 -0.06 1.61 0.52 0.16 -2.19 118.95 119.12 2w4y s ARG 61 Ca 0.10 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 2w4y s ARG 61 Cb -0.10 -1.64 0.01 0.00 0.52 0.00 0.00 34.95 33.75 2w4y s ARG 61 CO 0.03 0.45 -0.13 -1.01 0.02 0.00 0.00 175.30 174.67 2w4y s HIS 62 N -0.49 1.46 -0.00 -0.53 3.76 0.43 -0.48 115.29 119.43 2w4y s HIS 62 Ca 0.08 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 2w4y s HIS 62 Cb -0.08 -1.05 -0.00 0.00 1.11 0.00 0.00 32.58 32.55 2w4y s HIS 62 CO -0.01 -0.25 -0.06 1.21 -0.85 0.00 0.00 174.74 174.78 2w4y s ASN 63 N 0.56 0.68 -0.05 1.40 3.84 0.74 -0.24 114.94 121.87 2w4y s ASN 63 Ca -0.13 -0.12 0.02 0.00 0.21 0.00 0.00 52.86 52.85 2w4y s ASN 63 Cb -0.15 -0.07 0.01 0.00 -0.55 0.00 0.00 41.25 40.49 2w4y s ASN 63 CO 0.03 0.06 -0.11 -0.69 -2.79 0.00 0.00 177.10 173.61 2w4y s VAL 64 N -0.17 1.00 -0.04 -5.21 1.01 -0.80 -0.53 120.40 115.66 2w4y s VAL 64 Ca 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2w4y s VAL 64 Cb -0.02 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.47 2w4y s VAL 64 CO -0.00 0.32 0.03 -0.70 0.00 0.00 0.00 175.10 174.74 2w4y s GLU 65 N 0.49 0.19 -0.10 2.72 2.12 -0.14 -1.05 118.70 122.92 2w4y s GLU 65 Ca -0.10 0.23 -0.11 0.00 0.36 0.00 0.00 54.97 55.35 2w4y s GLU 65 Cb -0.13 -0.61 -0.05 0.00 0.26 0.00 0.00 34.13 33.60 2w4y s GLU 65 CO 0.02 -0.27 0.24 -0.06 -0.54 0.00 0.00 175.26 174.66 2w4y s PHE 66 N 1.79 3.60 -0.11 5.30 0.08 0.84 -1.20 117.98 128.29 2w4y s PHE 66 Ca 0.01 0.66 -0.04 0.00 0.12 0.00 0.00 56.93 57.68 2w4y s PHE 66 Cb -0.12 -2.13 0.06 0.00 -0.57 0.00 0.00 43.02 40.25 2w4y s PHE 66 CO -0.03 0.59 0.19 0.99 -0.10 0.00 0.00 175.22 176.86 2w4y s THR 67 N -0.68 -0.31 -0.27 0.64 2.01 0.39 -1.49 115.64 115.92 2w4y s THR 67 Ca 0.17 0.30 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 2w4y s THR 67 Cb -0.13 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 2w4y s THR 67 CO 0.06 0.11 0.12 -0.70 -0.69 0.00 0.00 174.62 173.52 2w4y s GLU 68 N 2.33 3.63 -0.34 4.92 2.12 0.31 -1.18 118.70 130.50 2w4y s GLU 68 Ca 0.03 -0.51 -0.13 0.00 0.36 0.00 0.00 54.97 54.72 2w4y s GLU 68 Cb -0.12 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 2w4y s GLU 68 CO -0.07 -0.25 0.26 0.99 -0.54 0.00 0.00 175.26 175.64 2w4y s THR 69 N 1.65 5.27 -0.39 -1.70 2.01 0.29 -1.45 115.64 121.32 2w4y s THR 69 Ca 0.06 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.72 2w4y s THR 69 Cb -0.16 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.64 2w4y s THR 69 CO 0.06 -0.01 0.50 -0.69 -0.69 0.00 0.00 174.62 173.78 2w4y s VAL 70 N 1.77 5.02 0.55 3.82 1.01 -0.34 -1.20 120.40 131.02 2w4y s VAL 70 Ca 0.07 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 2w4y s VAL 70 Cb -0.17 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2w4y s VAL 70 CO 0.11 -0.35 1.32 -0.31 0.00 0.00 0.00 175.10 175.87 2w4y s TYR 71 N 2.35 2.32 0.48 5.22 4.12 -0.65 -2.19 117.35 129.00 2w4y s TYR 71 Ca 0.16 1.41 -0.24 0.00 0.02 0.00 0.00 57.07 58.43 2w4y s TYR 71 Cb -0.16 -3.73 -0.07 0.00 -1.52 0.00 0.00 41.96 36.48 2w4y s TYR 71 CO 0.14 -2.73 1.35 0.00 0.02 0.00 0.00 175.55 174.33 2w4y n ALA 72 N -1.13 1.64 -3.65 3.71 0.00 -1.26 -4.71 120.51 115.10 2w4y n ALA 72 Ca 0.11 0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.64 2w4y n ALA 72 Cb 0.46 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 2w4y n ALA 72 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2w4y s SER 73 N -0.66 0.06 0.70 0.00 1.04 0.06 -4.88 113.70 110.01 2w4y s SER 73 Ca 0.65 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.86 2w4y s SER 73 Cb -0.45 1.03 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2w4y s SER 73 CO 0.54 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.14 2w4y n GLY 74 N 5.37 1.64 0.29 7.32 0.00 -1.26 -2.33 105.19 116.22 2w4y n GLY 74 Ca -0.07 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.34 2w4y n GLY 74 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2w4y h SER 75 N 9.34 0.54 -2.23 1.61 4.64 -2.04 -3.42 113.55 121.98 2w4y h SER 75 Ca 0.00 -0.06 -0.57 0.00 -0.47 0.00 0.00 61.79 60.68 2w4y h SER 75 Cb 0.00 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2w4y h SER 75 CO 0.00 0.51 1.38 -0.89 -0.87 0.00 0.00 176.83 176.96 2w4y s THR 76 N -5.23 3.14 0.95 2.95 2.01 -0.98 -4.98 115.64 113.49 2w4y s THR 76 Ca -0.08 0.15 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 2w4y s THR 76 Cb 0.16 -3.16 0.16 0.00 0.01 0.00 0.00 72.50 69.67 2w4y s THR 76 CO 0.76 -0.08 1.12 -2.16 -0.69 0.00 0.00 174.62 173.57 2w4y s PRO 77 N 5.71 0.82 0.23 4.92 0.04 -1.26 -0.76 135.00 144.70 2w4y s PRO 77 Ca 0.93 0.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 2w4y s PRO 77 Cb -0.33 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2w4y s PRO 77 CO 0.36 -2.43 1.17 -2.00 0.04 0.00 0.00 177.00 174.13 2w4y s GLU 78 N -5.18 4.54 0.33 4.56 2.12 -1.26 -4.51 118.70 119.30 2w4y s GLU 78 Ca 0.65 1.87 0.04 0.00 0.36 0.00 0.00 54.97 57.89 2w4y s GLU 78 Cb -0.16 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 2w4y s GLU 78 CO 0.55 0.02 0.33 -0.59 -0.54 0.00 0.00 175.26 175.03 2w4y s PHE 79 N -0.55 1.56 0.13 5.30 -0.12 -0.93 -4.89 117.98 118.48 2w4y s PHE 79 Ca 0.49 -1.56 0.02 0.00 -0.05 0.00 0.00 56.93 55.83 2w4y s PHE 79 Cb -0.33 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.48 2w4y s PHE 79 CO 0.39 -0.94 -0.04 0.54 -0.05 0.00 0.00 175.22 175.13 2w4y s VAL 80 N -3.36 0.68 -0.07 -2.49 0.11 -1.26 -1.20 120.40 112.82 2w4y s VAL 80 Ca 0.38 -1.96 0.03 0.00 -2.93 0.00 0.00 61.98 57.50 2w4y s VAL 80 Cb 0.02 -1.88 0.01 0.00 -1.53 0.00 0.00 36.38 33.00 2w4y s VAL 80 CO 0.25 -0.69 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.05 2w4y s ARG 81 N -3.87 1.90 -0.14 1.54 0.52 -0.53 -4.99 118.95 113.38 2w4y s ARG 81 Ca 0.17 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 54.75 2w4y s ARG 81 Cb 0.06 -1.55 0.04 0.00 0.52 0.00 0.00 34.95 34.01 2w4y s ARG 81 CO -0.01 0.09 0.37 -1.14 0.02 0.00 0.00 175.30 174.63 2w4y s GLN 82 N 0.48 0.42 0.00 3.54 0.74 -1.26 -0.53 119.66 123.05 2w4y s GLN 82 Ca -0.13 0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.83 2w4y s GLN 82 Cb -0.15 0.17 -0.00 0.00 1.10 0.00 0.00 33.01 34.13 2w4y s GLN 82 CO 0.04 -0.07 -0.00 0.00 -0.55 0.00 0.00 175.29 174.71 2w4y s ALA 83 N 0.38 0.01 0.08 1.58 0.00 -0.56 -5.01 121.76 118.24 2w4y s ALA 83 Ca -0.01 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.68 2w4y s ALA 83 Cb -0.04 0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.15 2w4y s ALA 83 CO -0.01 -0.00 0.57 1.52 0.00 0.00 0.00 175.76 177.83 2w4y s TYR 84 N -0.07 -0.50 0.18 0.00 -0.85 -1.26 -0.11 117.35 114.75 2w4y s TYR 84 Ca -0.01 0.48 0.08 0.00 -0.52 0.00 0.00 57.07 57.10 2w4y s TYR 84 Cb -0.00 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 2w4y s TYR 84 CO -0.00 -0.73 -0.15 0.14 -1.52 0.00 0.00 175.55 173.29 2w4y s VAL 85 N -2.90 1.69 -0.03 -3.49 -7.23 -0.22 -4.98 120.40 103.24 2w4y s VAL 85 Ca -0.03 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.09 2w4y s VAL 85 Cb -0.00 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 35.04 2w4y s VAL 85 CO -0.05 -0.50 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.51 2w4y s VAL 86 N -2.62 0.39 -0.12 1.32 1.01 -1.26 -1.90 120.40 117.22 2w4y s VAL 86 Ca 0.19 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2w4y s VAL 86 Cb -0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 2w4y s VAL 86 CO 0.06 0.17 -0.15 -0.63 0.00 0.00 0.00 175.10 174.56 2w4y s ILE 87 N 0.65 2.92 -0.04 2.22 -1.09 0.66 -4.95 121.20 121.58 2w4y s ILE 87 Ca -0.08 -0.72 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 2w4y s ILE 87 Cb -0.11 -2.21 0.02 0.00 -1.58 0.00 0.00 42.46 38.58 2w4y s ILE 87 CO -0.00 0.53 -0.05 -0.60 -1.23 0.00 0.00 174.94 173.59 2w4y s ARG 88 N 0.24 0.82 0.15 2.79 3.52 -1.26 -0.43 118.95 124.79 2w4y s ARG 88 Ca -0.10 -0.14 -0.15 0.00 -0.13 0.00 0.00 55.73 55.22 2w4y s ARG 88 Cb -0.16 -0.81 0.02 0.00 -1.56 0.00 0.00 34.95 32.45 2w4y s ARG 88 CO 0.06 -0.04 0.40 -3.38 -0.81 0.00 0.00 175.30 171.53 2w4y s HIS 89 N 0.73 -0.05 0.75 5.12 -3.43 -0.93 -4.98 115.29 112.50 2w4y s HIS 89 Ca -0.10 -0.29 -0.11 0.00 -0.80 0.00 0.00 55.06 53.76 2w4y s HIS 89 Cb -0.13 0.22 0.04 0.00 -1.43 0.00 0.00 32.58 31.28 2w4y s HIS 89 CO 0.00 -0.76 1.08 -1.59 -2.00 0.00 0.00 174.74 171.47 2w4y s LYS 90 N -3.86 2.50 0.11 -0.38 -2.85 -1.26 -0.61 119.74 113.39 2w4y s LYS 90 Ca 0.07 0.88 -0.34 0.00 -1.00 0.00 0.00 55.97 55.59 2w4y s LYS 90 Cb 0.01 -1.95 -0.13 0.00 -2.06 0.00 0.00 37.83 33.71 2w4y s LYS 90 CO -0.07 -1.39 1.56 0.28 0.10 0.00 0.00 175.35 175.83 2w4y h VAL 91 N -0.93 0.03 0.00 1.79 2.07 -1.15 -2.89 116.25 115.17 2w4y h VAL 91 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2w4y h VAL 91 Cb 1.23 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2w4y h VAL 91 CO 0.57 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.77 2w4y n GLY 92 N -1.48 -1.05 3.19 2.17 0.00 -1.26 -4.95 105.19 101.81 2w4y n GLY 92 Ca -0.08 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 2w4y n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2w4y n ASP 93 N -1.06 -4.19 -4.60 1.61 -0.08 -1.09 -4.85 116.55 102.28 2w4y n ASP 93 Ca 0.21 0.42 -0.43 0.00 -1.51 0.00 0.00 54.79 53.49 2w4y n ASP 93 Cb 0.14 -0.89 -0.02 0.00 2.34 0.00 0.00 41.12 42.68 2w4y n ASP 93 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2w4y s VAL 94 N -2.01 4.11 0.19 5.18 1.01 -1.26 -4.94 120.40 122.68 2w4y s VAL 94 Ca 0.51 1.14 -0.20 0.00 0.00 0.00 0.00 61.98 63.43 2w4y s VAL 94 Cb -0.32 -4.48 0.14 0.00 0.00 0.00 0.00 36.38 31.71 2w4y s VAL 94 CO 0.72 -0.93 1.59 -1.28 0.00 0.00 0.00 175.10 175.20 2w4y h SER 95 N 9.67 -1.09 -0.64 3.32 0.87 -1.98 -1.49 113.55 122.21 2w4y h SER 95 Ca -0.24 0.22 0.13 0.00 -1.23 0.00 0.00 61.79 60.67 2w4y h SER 95 Cb 1.07 0.55 -0.10 0.00 -0.44 0.00 0.00 62.40 63.49 2w4y h SER 95 CO 1.12 -0.30 0.09 0.00 -0.53 0.00 0.00 176.83 177.21 2w4y h ALA 96 N 1.07 0.73 -0.02 6.23 0.00 -1.99 0.24 119.26 125.52 2w4y h ALA 96 Ca 0.24 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.32 2w4y h ALA 96 Cb 0.54 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2w4y h ALA 96 CO -0.68 -0.35 -0.02 1.15 0.00 0.00 0.00 179.25 179.36 2w4y h THR 97 N 0.21 0.95 0.19 0.00 2.02 -1.71 -1.20 112.91 113.37 2w4y h THR 97 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.52 2w4y h THR 97 Cb 0.54 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2w4y h THR 97 CO -0.47 0.00 -0.16 0.58 0.37 0.00 0.00 175.52 175.83 2w4y h VAL 98 N -0.02 0.64 -0.92 3.16 2.07 -0.62 -2.27 116.25 118.29 2w4y h VAL 98 Ca 0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.76 2w4y h VAL 98 Cb 0.04 0.64 -0.12 0.00 -1.52 0.00 0.00 31.29 30.33 2w4y h VAL 98 CO -0.03 0.00 0.44 -1.28 0.02 0.00 0.00 177.57 176.72 2w4y h SER 99 N -0.37 0.41 -0.43 0.57 0.87 -0.31 0.38 113.55 114.68 2w4y h SER 99 Ca -0.00 0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 2w4y h SER 99 Cb 0.34 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2w4y h SER 99 CO -0.02 0.03 0.29 0.44 -0.53 0.00 0.00 176.83 177.03 2w4y h ASP 100 N 0.44 0.34 -0.15 6.23 5.19 -0.62 0.12 116.42 127.99 2w4y h ASP 100 Ca 0.58 -0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.78 2w4y h ASP 100 Cb 1.09 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.53 2w4y h ASP 100 CO -0.51 0.23 -0.67 0.25 -3.12 0.00 0.00 179.24 175.42 2w4y h LEU 101 N 0.39 0.89 -0.56 1.55 5.85 -0.82 -1.12 115.31 121.49 2w4y h LEU 101 Ca 0.18 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 2w4y h LEU 101 Cb 0.22 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2w4y h LEU 101 CO -0.04 1.32 0.09 1.23 -0.34 0.00 0.00 178.44 180.70 2w4y h GLY 102 N 0.72 1.00 1.10 3.75 0.00 -0.96 -1.79 103.07 106.90 2w4y h GLY 102 Ca -0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 2w4y h GLY 102 CO 0.14 0.62 0.47 0.83 0.00 0.00 0.00 176.54 178.59 2w4y h GLU 103 N 0.83 1.17 -0.76 4.80 5.08 -0.72 -1.32 114.58 123.66 2w4y h GLU 103 Ca 0.17 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2w4y h GLU 103 Cb 0.41 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2w4y h GLU 103 CO 0.01 0.86 0.39 0.00 -1.00 0.00 0.00 179.01 179.27 2w4y h ALA 104 N 1.33 1.26 -0.05 3.43 0.00 -0.69 -1.27 119.26 123.27 2w4y h ALA 104 Ca 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2w4y h ALA 104 Cb 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2w4y h ALA 104 CO -0.05 0.58 -0.04 1.25 0.00 0.00 0.00 179.25 180.99 2w4y h LEU 105 N 1.07 0.12 -0.93 0.00 5.85 -0.58 -1.10 115.31 119.74 2w4y h LEU 105 Ca 0.27 -0.48 0.09 0.00 0.84 0.00 0.00 57.88 58.60 2w4y h LEU 105 Cb 0.06 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 2w4y h LEU 105 CO -0.04 0.57 0.58 0.28 -0.34 0.00 0.00 178.44 179.49 2w4y h SER 106 N -0.33 0.87 -0.59 1.25 0.02 -1.12 -0.11 113.55 113.54 2w4y h SER 106 Ca 0.01 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2w4y h SER 106 Cb 0.54 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2w4y h SER 106 CO 0.01 0.50 0.06 0.15 -1.14 0.00 0.00 176.83 176.42 2w4y h PHE 107 N 0.97 1.07 -0.52 3.45 3.57 -1.15 -3.05 116.94 121.27 2w4y h PHE 107 Ca 0.44 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 2w4y h PHE 107 Cb 0.34 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2w4y h PHE 107 CO -0.02 0.93 0.11 -0.92 -2.23 0.00 0.00 178.31 176.18 2w4y h TYR 108 N 0.89 0.90 -1.10 0.41 3.20 -0.01 -3.38 116.97 117.88 2w4y h TYR 108 Ca 0.17 -0.12 -0.65 0.00 3.14 0.00 0.00 58.73 61.28 2w4y h TYR 108 Cb 0.47 -0.25 -0.10 0.00 1.54 0.00 0.00 36.73 38.39 2w4y h TYR 108 CO 0.03 0.80 1.79 -0.51 -1.64 0.00 0.00 178.16 178.64 2w4y s LEU 109 N -9.56 3.80 0.00 2.82 1.43 -0.17 -4.80 118.68 112.20 2w4y s LEU 109 Ca -0.13 -2.01 0.05 0.00 -1.03 0.00 0.00 54.13 51.02 2w4y s LEU 109 Cb 0.12 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.83 2w4y s LEU 109 CO 0.81 -1.30 0.44 -0.46 0.23 0.00 0.00 176.35 176.07 2w4y n ASN 110 N 8.41 2.63 -0.07 2.29 0.23 -1.26 -4.91 115.26 122.57 2w4y n ASN 110 Ca 0.40 -2.80 -0.07 0.00 -0.53 0.00 0.00 54.58 51.59 2w4y n ASN 110 Cb 0.48 -0.08 -0.01 0.00 -2.08 0.00 0.00 39.78 38.09 2w4y n ASN 110 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2w4y h GLU 111 N 0.00 -0.04 -0.52 -3.83 4.81 -1.98 -1.39 114.58 111.64 2w4y h GLU 111 Ca -0.33 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.01 2w4y h GLU 111 Cb 1.23 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.53 2w4y h GLU 111 CO 0.51 -0.03 -0.07 0.00 -0.73 0.00 0.00 179.01 178.69 2w4y h ALA 112 N 1.22 0.41 0.12 2.92 0.00 -1.96 -0.73 119.26 121.23 2w4y h ALA 112 Ca 0.14 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2w4y h ALA 112 Cb 0.26 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2w4y h ALA 112 CO -0.32 -0.42 -0.06 1.25 0.00 0.00 0.00 179.25 179.71 2w4y h LEU 113 N 0.05 -0.13 -1.30 0.00 5.85 -1.75 -2.38 115.31 115.65 2w4y h LEU 113 Ca 0.26 -0.11 0.20 0.00 0.84 0.00 0.00 57.88 59.06 2w4y h LEU 113 Cb 0.40 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 2w4y h LEU 113 CO -0.49 0.03 0.61 1.88 -0.34 0.00 0.00 178.44 180.13 2w4y h TYR 114 N -0.29 0.77 0.50 1.25 0.99 -0.75 0.10 116.97 119.53 2w4y h TYR 114 Ca -0.02 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 2w4y h TYR 114 Cb 0.24 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.72 2w4y h TYR 114 CO -0.03 0.18 -0.36 0.78 -0.00 0.00 0.00 178.16 178.74 2w4y h GLY 115 N 0.56 -0.92 0.56 3.88 0.00 -0.66 -1.41 103.07 105.09 2w4y h GLY 115 Ca 0.52 0.41 0.08 0.00 0.00 0.00 0.00 47.33 48.34 2w4y h GLY 115 CO -0.26 -0.33 0.42 0.50 0.00 0.00 0.00 176.54 176.87 2w4y h LYS 116 N -0.84 0.71 -0.16 4.80 1.57 -0.63 -1.82 116.57 120.20 2w4y h LYS 116 Ca -0.05 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2w4y h LYS 116 Cb 0.71 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2w4y h LYS 116 CO 0.02 0.47 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.28 2w4y h LEU 117 N 0.73 -0.11 -2.29 2.94 3.38 -0.61 -0.16 115.31 119.20 2w4y h LEU 117 Ca 0.36 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2w4y h LEU 117 Cb 0.31 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2w4y h LEU 117 CO -0.23 -0.03 -0.04 0.40 0.09 0.00 0.00 178.44 178.63 2w4y h ILE 118 N 0.03 0.56 -0.22 1.22 2.04 -0.73 0.13 117.51 120.52 2w4y h ILE 118 Ca 0.08 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2w4y h ILE 118 Cb 0.11 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2w4y h ILE 118 CO -0.15 0.04 0.00 0.61 0.00 0.00 0.00 178.15 178.65 2w4y n GLY 119 N -1.14 0.68 2.47 5.37 0.00 -0.16 -4.89 105.19 107.53 2w4y n GLY 119 Ca -0.03 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 2w4y n GLY 119 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2w4y n TRP 120 N 0.20 -0.11 -2.56 1.61 7.02 0.44 -4.97 117.44 119.07 2w4y n TRP 120 Ca 0.08 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.14 2w4y n TRP 120 Cb 0.31 -2.99 -0.03 0.00 -2.42 0.00 0.00 31.31 26.18 2w4y n TRP 120 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2w4y s GLU 121 N -3.63 4.47 0.00 -0.99 2.02 -0.67 -5.02 118.70 114.87 2w4y s GLU 121 Ca 0.00 1.58 0.18 0.00 0.02 0.00 0.00 54.97 56.75 2w4y s GLU 121 Cb 0.00 -3.44 0.14 0.00 0.10 0.00 0.00 34.13 30.93 2w4y s GLU 121 CO 0.00 -0.21 1.06 0.45 0.02 0.00 0.00 175.26 176.57