#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a22 s LEU -5 N 0.00 4.52 -0.04 0.99 1.43 -1.26 -5.06 118.68 119.25 2a22 s LEU -5 Ca 0.00 2.00 0.05 0.00 -1.03 0.00 0.00 54.13 55.15 2a22 s LEU -5 Cb 0.00 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 2a22 s LEU -5 CO 0.00 -0.11 -0.19 0.54 0.23 0.00 0.00 176.35 176.81 2a22 s VAL -4 N -0.37 1.59 0.37 -1.59 0.11 -1.26 -5.12 120.40 114.13 2a22 s VAL -4 Ca 0.47 -0.81 -0.28 0.00 -2.93 0.00 0.00 61.98 58.43 2a22 s VAL -4 Cb -0.27 -1.35 -0.10 0.00 -1.53 0.00 0.00 36.38 33.12 2a22 s VAL -4 CO 0.33 0.45 1.40 -2.84 -3.33 0.00 0.00 175.10 171.12 2a22 s PRO -3 N -0.06 4.14 -0.06 1.54 0.02 -1.26 -4.93 135.00 134.39 2a22 s PRO -3 Ca -0.03 2.40 0.23 0.00 0.02 0.00 0.00 61.00 63.62 2a22 s PRO -3 Cb -0.12 -2.96 0.44 0.00 0.02 0.00 0.00 34.50 31.88 2a22 s PRO -3 CO 0.02 -0.44 1.17 0.54 -0.33 0.00 0.00 177.00 177.97 2a22 n ARG -2 N 0.48 0.50 0.00 5.54 5.12 -1.26 -5.11 116.66 121.93 2a22 n ARG -2 Ca 0.01 -2.40 0.00 0.00 -1.93 0.00 0.00 57.85 53.53 2a22 n ARG -2 Cb 0.41 -0.47 0.00 0.00 -1.16 0.00 0.00 32.46 31.24 2a22 n ARG -2 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a22 n GLY -1 N 0.10 2.67 3.60 -0.13 0.00 -1.26 -5.13 105.19 105.04 2a22 n GLY -1 Ca 0.09 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 2a22 n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a22 s SER 0 N 0.00 -0.33 -0.11 1.61 1.04 -1.26 -5.17 113.70 109.48 2a22 s SER 0 Ca 0.00 -0.42 -0.17 0.00 0.48 0.00 0.00 55.95 55.84 2a22 s SER 0 Cb 0.00 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.79 2a22 s SER 0 CO 0.00 -1.13 0.42 -0.94 0.98 0.00 0.00 173.24 172.58 2a22 s SER 1 N -2.86 -0.40 -0.12 7.02 1.04 -1.26 -5.14 113.70 111.98 2a22 s SER 1 Ca 0.08 0.63 -0.00 0.00 0.48 0.00 0.00 55.95 57.14 2a22 s SER 1 Cb -0.02 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.80 2a22 s SER 1 CO -0.02 -0.29 -0.09 -0.55 0.98 0.00 0.00 173.24 173.27 2a22 s SER 2 N -0.38 2.32 -1.08 7.02 0.15 -1.26 -5.05 113.70 115.43 2a22 s SER 2 Ca -0.05 -0.35 -0.15 0.00 0.70 0.00 0.00 55.95 56.10 2a22 s SER 2 Cb -0.03 -0.93 0.18 0.00 -1.71 0.00 0.00 66.02 63.52 2a22 s SER 2 CO 0.03 -0.10 1.24 -0.89 1.20 0.00 0.00 173.24 174.71 2a22 s THR 3 N 1.65 5.13 -0.27 6.45 2.01 -1.26 -4.93 115.64 124.41 2a22 s THR 3 Ca 0.05 -2.41 0.01 0.00 0.31 0.00 0.00 61.69 59.64 2a22 s THR 3 Cb -0.13 -4.79 0.08 0.00 0.01 0.00 0.00 72.50 67.67 2a22 s THR 3 CO -0.09 -1.47 0.01 -1.81 -0.69 0.00 0.00 174.62 170.57 2a22 s ASP 4 N 2.80 4.05 -0.13 3.53 1.11 -1.26 -5.12 116.67 121.65 2a22 s ASP 4 Ca 0.36 -1.49 -0.03 0.00 0.18 0.00 0.00 52.55 51.57 2a22 s ASP 4 Cb -0.05 -1.17 -0.03 0.00 1.07 0.00 0.00 42.92 42.74 2a22 s ASP 4 CO -0.05 -0.31 -0.04 -0.36 1.18 0.00 0.00 175.17 175.59 2a22 s PHE 5 N 1.36 3.03 0.04 4.23 0.40 -1.26 -5.10 117.98 120.69 2a22 s PHE 5 Ca 0.02 -0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.21 2a22 s PHE 5 Cb -0.18 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 2a22 s PHE 5 CO -0.11 0.08 -0.08 0.20 0.70 0.00 0.00 175.22 176.01 2a22 s GLY 6 N 0.03 1.76 0.09 4.36 0.00 -1.26 -4.61 107.32 107.68 2a22 s GLY 6 Ca 0.00 -1.10 0.04 0.00 0.00 0.00 0.00 44.72 43.66 2a22 s GLY 6 CO 0.03 -1.01 0.05 0.99 0.00 0.00 0.00 173.10 173.16 2a22 s ASP 7 N -1.71 5.35 -0.16 1.64 1.01 -0.17 -4.98 116.67 117.66 2a22 s ASP 7 Ca 0.19 -0.07 -0.00 0.00 0.71 0.00 0.00 52.55 53.37 2a22 s ASP 7 Cb -0.11 -1.38 0.03 0.00 1.01 0.00 0.00 42.92 42.47 2a22 s ASP 7 CO 0.10 0.17 -0.08 -0.22 0.21 0.00 0.00 175.17 175.35 2a22 s LEU 8 N -2.38 1.69 -0.25 1.23 2.96 -1.26 -1.46 118.68 119.20 2a22 s LEU 8 Ca 0.28 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 2a22 s LEU 8 Cb -0.12 -1.02 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 2a22 s LEU 8 CO 0.21 -0.14 0.01 -0.69 -1.32 0.00 0.00 176.35 174.42 2a22 s VAL 9 N 1.57 3.66 -0.02 1.68 1.01 0.17 -1.39 120.40 127.08 2a22 s VAL 9 Ca 0.02 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2a22 s VAL 9 Cb -0.14 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2a22 s VAL 9 CO -0.08 0.30 1.00 -0.22 0.00 0.00 0.00 175.10 176.10 2a22 s LEU 10 N 1.50 4.34 -0.18 3.92 2.96 0.27 0.31 118.68 131.80 2a22 s LEU 10 Ca 0.05 1.66 -0.02 0.00 -0.22 0.00 0.00 54.13 55.59 2a22 s LEU 10 Cb -0.15 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 2a22 s LEU 10 CO -0.01 -0.31 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.87 2a22 s LEU 11 N 1.23 2.83 -0.04 -0.68 1.43 0.77 0.12 118.68 124.35 2a22 s LEU 11 Ca 0.52 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 2a22 s LEU 11 Cb -0.21 -1.69 0.07 0.00 0.03 0.00 0.00 46.19 44.39 2a22 s LEU 11 CO 0.26 0.06 0.65 -0.51 0.23 0.00 0.00 176.35 177.04 2a22 s ILE 12 N 0.97 0.00 -1.57 -0.59 2.07 -0.89 -1.70 121.20 119.51 2a22 s ILE 12 Ca -0.01 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 2a22 s ILE 12 Cb -0.15 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.47 2a22 s ILE 12 CO -0.00 -0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 2a22 n GLY 13 N 0.87 -0.72 4.06 1.50 0.00 -1.26 -1.34 105.19 108.30 2a22 n GLY 13 Ca -0.19 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 2a22 n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a22 n ASP 14 N 0.23 -0.06 -0.04 1.61 8.00 0.46 -1.67 116.55 125.08 2a22 n ASP 14 Ca 0.00 -1.08 -0.16 0.00 0.71 0.00 0.00 54.79 54.26 2a22 n ASP 14 Cb 0.00 -2.64 -0.08 0.00 -0.02 0.00 0.00 41.12 38.38 2a22 n ASP 14 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2a22 h LEU 15 N -1.81 0.63 -1.41 0.64 4.07 -1.29 -3.34 115.31 112.80 2a22 h LEU 15 Ca -0.64 -0.62 -0.48 0.00 0.08 0.00 0.00 57.88 56.23 2a22 h LEU 15 Cb 1.38 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.90 2a22 h LEU 15 CO 0.65 1.14 -0.82 0.29 -1.08 0.00 0.00 178.44 178.63 2a22 n LYS 16 N -4.24 -4.57 -3.52 1.13 5.02 -0.48 -4.46 118.16 107.04 2a22 n LYS 16 Ca -0.07 0.53 -0.37 0.00 -2.02 0.00 0.00 58.31 56.38 2a22 n LYS 16 Cb 0.58 -5.15 -0.06 0.00 -0.02 0.00 0.00 35.03 30.37 2a22 n LYS 16 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2a22 s ILE 17 N -3.54 5.21 -2.59 -0.18 1.01 -1.20 0.49 121.20 120.40 2a22 s ILE 17 Ca 0.36 0.68 0.24 0.00 0.00 0.00 0.00 60.65 61.93 2a22 s ILE 17 Cb -0.18 -3.67 0.13 0.00 0.01 0.00 0.00 42.46 38.75 2a22 s ILE 17 CO 0.85 0.47 1.22 -0.81 0.00 0.00 0.00 174.94 176.67 2a22 n PRO 18 N 2.79 1.84 -0.04 2.79 -0.04 -1.26 -1.98 135.00 139.10 2a22 n PRO 18 Ca -0.13 -1.51 -0.09 0.00 -0.04 0.00 0.00 63.50 61.73 2a22 n PRO 18 Cb 0.52 -1.47 0.06 0.00 -0.04 0.00 0.00 33.50 32.57 2a22 n PRO 18 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2a22 h TYR 19 N 3.68 0.81 0.00 0.54 -1.99 -1.93 -3.23 116.97 114.86 2a22 h TYR 19 Ca 0.00 -0.25 -0.09 0.00 2.00 0.00 0.00 58.73 60.39 2a22 h TYR 19 Cb 0.88 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.43 2a22 h TYR 19 CO 0.00 0.99 -1.40 0.41 -0.00 0.00 0.00 178.16 178.16 2a22 n GLY 20 N 0.09 -1.26 3.52 3.88 0.00 0.18 -4.99 105.19 106.60 2a22 n GLY 20 Ca -0.02 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 2a22 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a22 s ALA 21 N -3.14 -1.82 -0.10 4.61 0.00 -0.82 -4.42 121.76 116.06 2a22 s ALA 21 Ca -0.03 1.16 0.21 0.00 0.00 0.00 0.00 51.96 53.30 2a22 s ALA 21 Cb 0.10 0.09 -0.24 0.00 0.00 0.00 0.00 23.12 23.06 2a22 s ALA 21 CO 0.82 -0.54 0.57 0.36 0.00 0.00 0.00 175.76 176.97 2a22 n LYS 22 N 0.20 0.65 -3.80 0.00 2.85 -1.26 -4.09 118.16 112.71 2a22 n LYS 22 Ca -0.12 -0.08 -0.05 0.00 -1.05 0.00 0.00 58.31 57.02 2a22 n LYS 22 Cb 0.60 -1.61 -0.01 0.00 -0.65 0.00 0.00 35.03 33.37 2a22 n LYS 22 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2a22 s GLU 23 N -3.31 1.42 0.38 -1.58 -1.05 -1.26 -4.96 118.70 108.35 2a22 s GLU 23 Ca -0.06 -0.81 -0.17 0.00 -0.15 0.00 0.00 54.97 53.78 2a22 s GLU 23 Cb 0.12 0.47 -0.09 0.00 -0.44 0.00 0.00 34.13 34.18 2a22 s GLU 23 CO 0.87 -0.65 0.82 -0.51 0.95 0.00 0.00 175.26 176.74 2a22 s LEU 24 N -2.98 3.97 0.35 1.83 1.43 -1.26 -4.78 118.68 117.24 2a22 s LEU 24 Ca 0.13 1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 54.36 2a22 s LEU 24 Cb -0.03 -4.25 -0.12 0.00 0.03 0.00 0.00 46.19 41.82 2a22 s LEU 24 CO 0.04 -0.30 1.44 -2.65 0.23 0.00 0.00 176.35 175.11 2a22 n PRO 25 N -0.63 2.47 -0.28 1.29 -0.02 -1.26 -4.87 135.00 131.71 2a22 n PRO 25 Ca 0.05 0.87 0.09 0.00 -2.02 0.00 0.00 63.50 62.49 2a22 n PRO 25 Cb 0.54 -2.56 0.33 0.00 -0.02 0.00 0.00 33.50 31.79 2a22 n PRO 25 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2a22 h SER 26 N 3.16 0.74 -1.26 2.55 4.64 -2.01 -0.86 113.55 120.50 2a22 h SER 26 Ca -0.48 0.03 0.37 0.00 -0.47 0.00 0.00 61.79 61.23 2a22 h SER 26 Cb 1.25 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 2a22 h SER 26 CO 0.66 0.42 0.93 0.78 -0.87 0.00 0.00 176.83 178.75 2a22 h ASN 27 N 0.81 0.00 0.42 4.97 2.35 -1.99 0.12 115.58 122.26 2a22 h ASN 27 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 2a22 h ASN 27 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2a22 h ASN 27 CO -0.19 0.00 -0.57 0.49 -1.65 0.00 0.00 177.43 175.52 2a22 n PHE 28 N -4.08 0.00 0.12 1.19 3.01 -0.33 -4.57 117.46 112.80 2a22 n PHE 28 Ca 0.27 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.60 2a22 n PHE 28 Cb 1.34 -0.21 -0.06 0.00 -0.01 0.00 0.00 39.48 40.54 2a22 n PHE 28 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2a22 h ARG 29 N 0.04 -0.57 -0.43 -1.08 2.43 -0.79 0.29 114.38 114.26 2a22 h ARG 29 Ca 0.00 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2a22 h ARG 29 Cb 0.50 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2a22 h ARG 29 CO 0.00 -0.38 -0.21 0.93 -1.51 0.00 0.00 179.97 178.80 2a22 h GLU 30 N -0.59 0.86 -0.80 0.20 3.07 -1.81 -2.41 114.58 113.10 2a22 h GLU 30 Ca 0.02 -0.35 0.01 0.00 -0.50 0.00 0.00 59.36 58.55 2a22 h GLU 30 Cb 0.61 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.44 2a22 h GLU 30 CO -0.19 0.99 0.52 -0.07 -1.40 0.00 0.00 179.01 178.86 2a22 h LEU 31 N 0.75 0.90 -0.28 1.33 4.07 -1.74 -2.05 115.31 118.29 2a22 h LEU 31 Ca 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2a22 h LEU 31 Cb 0.75 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2a22 h LEU 31 CO 0.06 0.64 -0.00 0.18 -1.08 0.00 0.00 178.44 178.24 2a22 n LEU 32 N -4.55 0.43 -0.70 1.67 4.77 0.06 -3.20 117.00 115.48 2a22 n LEU 32 Ca 0.08 -0.14 0.08 0.00 -0.03 0.00 0.00 56.01 56.00 2a22 n LEU 32 Cb 0.03 -0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.22 2a22 n LEU 32 CO 0.35 0.07 0.54 0.00 -1.33 0.00 0.00 177.39 177.03 2a22 n ALA 33 N -0.66 2.43 -1.69 -1.18 0.00 -0.78 -4.96 120.51 113.67 2a22 n ALA 33 Ca 0.22 -0.74 -0.44 0.00 0.00 0.00 0.00 53.44 52.49 2a22 n ALA 33 Cb 0.18 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 2a22 n ALA 33 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2a22 n THR 34 N 0.92 0.10 0.27 0.00 5.66 -1.13 -4.84 114.28 115.26 2a22 n THR 34 Ca 0.11 -0.02 0.11 0.00 -3.05 0.00 0.00 64.05 61.20 2a22 n THR 34 Cb 0.42 -1.84 0.76 0.00 -1.55 0.00 0.00 70.33 68.12 2a22 n THR 34 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2a22 h ASP 35 N 6.92 0.00 1.34 1.09 3.32 -1.94 -2.76 116.42 124.38 2a22 h ASP 35 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2a22 h ASP 35 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2a22 h ASP 35 CO 0.93 0.03 0.00 0.11 -1.72 0.00 0.00 179.24 178.59 2a22 h LYS 36 N 0.00 0.00 -6.26 3.56 1.79 -1.97 -3.44 116.57 110.25 2a22 h LYS 36 Ca -0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2a22 h LYS 36 Cb 0.07 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2a22 h LYS 36 CO 0.00 0.00 1.30 0.42 -1.08 0.00 0.00 179.45 180.09 2a22 s ILE 37 N -3.33 3.03 -0.76 1.86 1.01 -1.04 -4.26 121.20 117.72 2a22 s ILE 37 Ca 0.06 0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.81 2a22 s ILE 37 Cb 0.09 -3.03 0.04 0.00 0.01 0.00 0.00 42.46 39.56 2a22 s ILE 37 CO 0.56 -0.01 0.65 -0.46 0.00 0.00 0.00 174.94 175.68 2a22 n ASN 38 N 8.62 1.38 -3.86 3.58 6.94 -0.49 -4.79 115.26 126.66 2a22 n ASN 38 Ca 0.22 -1.19 -0.12 0.00 -0.02 0.00 0.00 54.58 53.47 2a22 n ASN 38 Cb 0.42 0.14 -0.12 0.00 -2.36 0.00 0.00 39.78 37.85 2a22 n ASN 38 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2a22 s TYR 39 N -0.69 -0.05 -0.12 -2.53 1.51 -1.10 -4.16 117.35 110.21 2a22 s TYR 39 Ca 0.07 0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 2a22 s TYR 39 Cb 0.05 0.00 0.01 0.00 -0.11 0.00 0.00 41.96 41.92 2a22 s TYR 39 CO 0.10 -0.09 -0.20 0.08 -1.11 0.00 0.00 175.55 174.33 2a22 s VAL 40 N -0.27 1.87 -0.27 0.71 1.01 -0.48 -0.57 120.40 122.40 2a22 s VAL 40 Ca -0.03 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 2a22 s VAL 40 Cb -0.02 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.74 2a22 s VAL 40 CO 0.00 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 174.80 2a22 s LEU 41 N 0.69 3.47 -0.24 3.92 1.43 0.12 -0.64 118.68 127.44 2a22 s LEU 41 Ca -0.11 -1.14 -0.07 0.00 -1.03 0.00 0.00 54.13 51.78 2a22 s LEU 41 Cb -0.16 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2a22 s LEU 41 CO 0.02 -0.19 0.07 0.00 0.23 0.00 0.00 176.35 176.48 2a22 n THR 43 N 4.66 0.00 0.00 0.00 -2.24 -0.45 -2.02 114.28 114.23 2a22 n THR 43 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2a22 n THR 43 Cb 0.52 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 2a22 n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a22 n GLY 44 N 0.94 -3.48 3.63 3.38 0.00 -1.22 -4.02 105.19 104.42 2a22 n GLY 44 Ca 0.23 -2.10 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 2a22 n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a22 n ASN 45 N 0.00 -2.01 -0.02 1.61 3.02 -1.26 -0.41 115.26 116.19 2a22 n ASN 45 Ca 0.00 -0.74 -0.16 0.00 -0.03 0.00 0.00 54.58 53.65 2a22 n ASN 45 Cb 0.00 -4.42 -0.11 0.00 -0.61 0.00 0.00 39.78 34.63 2a22 n ASN 45 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2a22 h VAL 46 N -1.94 1.52 0.00 2.41 2.07 -1.92 -0.23 116.25 118.16 2a22 h VAL 46 Ca -0.60 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2a22 h VAL 46 Cb 1.35 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.86 2a22 h VAL 46 CO 0.55 0.55 0.00 0.00 0.02 0.00 0.00 177.57 178.69 2a22 s SER 48 N -0.45 3.52 0.20 0.00 0.15 -0.84 -4.57 113.70 111.71 2a22 s SER 48 Ca 0.00 -0.49 -0.11 0.00 0.70 0.00 0.00 55.95 56.05 2a22 s SER 48 Cb 0.00 -1.53 0.20 0.00 -1.71 0.00 0.00 66.02 62.98 2a22 s SER 48 CO 0.00 0.10 1.80 -0.61 1.20 0.00 0.00 173.24 175.73 2a22 h GLN 49 N 7.17 0.60 -0.84 5.44 5.75 -1.90 -1.47 115.11 129.86 2a22 h GLN 49 Ca -0.30 -0.04 0.21 0.00 -0.15 0.00 0.00 58.65 58.37 2a22 h GLN 49 Cb 1.20 -0.14 -0.13 0.00 1.07 0.00 0.00 27.48 29.48 2a22 h GLN 49 CO 0.55 0.40 0.25 1.49 -2.65 0.00 0.00 178.83 178.87 2a22 h GLU 50 N 0.62 0.26 0.00 1.69 4.81 -1.99 -1.81 114.58 118.16 2a22 h GLU 50 Ca 0.27 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2a22 h GLU 50 Cb 0.15 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2a22 h GLU 50 CO -0.17 0.17 -0.47 1.88 -0.73 0.00 0.00 179.01 179.69 2a22 h TYR 51 N 0.26 0.00 -0.53 0.92 -1.99 -1.66 -1.09 116.97 112.88 2a22 h TYR 51 Ca 0.51 0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.33 2a22 h TYR 51 Cb 0.98 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 39.64 2a22 h TYR 51 CO -0.24 0.47 0.14 0.28 -0.00 0.00 0.00 178.16 178.81 2a22 h VAL 52 N 0.00 0.74 -0.00 -2.88 2.07 -0.68 -1.20 116.25 114.30 2a22 h VAL 52 Ca -0.00 -0.10 -0.16 0.00 0.82 0.00 0.00 66.70 67.26 2a22 h VAL 52 Cb 1.30 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2a22 h VAL 52 CO 0.06 0.05 -0.75 -0.33 0.02 0.00 0.00 177.57 176.63 2a22 h GLU 53 N 0.29 0.05 -0.48 1.57 3.07 -1.07 -1.27 114.58 116.73 2a22 h GLU 53 Ca 0.27 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.13 2a22 h GLU 53 Cb 0.35 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.23 2a22 h GLU 53 CO -0.32 0.77 0.24 1.98 -1.40 0.00 0.00 179.01 180.28 2a22 h MET 54 N 0.03 0.45 0.04 2.33 1.85 -0.87 -0.57 114.93 118.19 2a22 h MET 54 Ca -0.01 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.05 2a22 h MET 54 Cb 1.32 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 33.24 2a22 h MET 54 CO 0.10 0.30 -0.02 -0.07 -0.40 0.00 0.00 176.91 176.82 2a22 h LEU 55 N 0.46 -0.05 -2.27 3.39 3.38 -1.07 -2.82 115.31 116.33 2a22 h LEU 55 Ca 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2a22 h LEU 55 Cb 0.13 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2a22 h LEU 55 CO -0.16 0.13 -0.02 0.11 0.09 0.00 0.00 178.44 178.59 2a22 h LYS 56 N -0.23 0.00 0.00 1.13 1.57 -1.04 -1.57 116.57 116.44 2a22 h LYS 56 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2a22 h LYS 56 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2a22 h LYS 56 CO 0.01 0.02 0.00 -1.71 -0.57 0.00 0.00 179.45 177.20 2a22 n ASN 57 N -3.98 0.40 -0.17 0.86 5.15 -0.24 -3.76 115.26 113.52 2a22 n ASN 57 Ca -0.03 0.55 -0.08 0.00 -0.60 0.00 0.00 54.58 54.42 2a22 n ASN 57 Cb 0.11 -0.65 0.01 0.00 -0.53 0.00 0.00 39.78 38.72 2a22 n ASN 57 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2a22 h ILE 58 N 0.00 1.21 -2.20 -1.44 2.04 -1.22 -3.47 117.51 112.43 2a22 h ILE 58 Ca 0.00 -0.68 0.18 0.00 1.00 0.00 0.00 64.86 65.37 2a22 h ILE 58 Cb 0.55 0.73 -0.10 0.00 -0.74 0.00 0.00 36.82 37.26 2a22 h ILE 58 CO 0.00 0.25 0.54 0.28 0.00 0.00 0.00 178.15 179.22 2a22 s THR 59 N -5.52 0.00 0.09 -0.27 -1.32 -1.25 -4.99 115.64 102.38 2a22 s THR 59 Ca -0.13 -0.44 -0.22 0.00 -1.21 0.00 0.00 61.69 59.68 2a22 s THR 59 Cb 0.11 -1.74 -0.14 0.00 -1.51 0.00 0.00 72.50 69.23 2a22 s THR 59 CO 0.77 0.00 1.74 0.50 -2.21 0.00 0.00 174.62 175.42 2a22 h LYS 60 N 2.00 0.05 -5.29 7.08 3.64 -1.86 -3.40 116.57 118.79 2a22 h LYS 60 Ca -0.24 -0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.46 2a22 h LYS 60 Cb 1.23 -0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.89 2a22 h LYS 60 CO 0.27 0.04 1.22 -0.80 -2.27 0.00 0.00 179.45 177.90 2a22 s ASN 61 N -5.23 6.71 -0.12 4.20 0.01 -1.26 -4.97 114.94 114.28 2a22 s ASN 61 Ca -0.13 -2.14 0.01 0.00 -0.71 0.00 0.00 52.86 49.89 2a22 s ASN 61 Cb 0.06 -2.45 0.02 0.00 0.41 0.00 0.00 41.25 39.29 2a22 s ASN 61 CO 0.67 -1.11 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.32 2a22 s VAL 62 N 3.11 1.46 -0.11 1.60 1.01 -1.26 -1.39 120.40 124.82 2a22 s VAL 62 Ca 0.40 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2a22 s VAL 62 Cb -0.02 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 2a22 s VAL 62 CO -0.06 0.44 -0.18 -0.31 0.00 0.00 0.00 175.10 174.99 2a22 s TYR 63 N 1.16 2.70 -0.08 5.22 2.02 0.18 -4.97 117.35 123.58 2a22 s TYR 63 Ca -0.03 -0.79 0.01 0.00 -0.37 0.00 0.00 57.07 55.89 2a22 s TYR 63 Cb -0.14 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 2a22 s TYR 63 CO -0.04 -0.28 -0.11 0.42 -1.57 0.00 0.00 175.55 173.97 2a22 s ILE 64 N 0.30 1.11 0.23 2.71 1.01 -1.26 -0.83 121.20 124.48 2a22 s ILE 64 Ca -0.13 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2a22 s ILE 64 Cb -0.17 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 2a22 s ILE 64 CO 0.07 0.36 0.39 0.68 0.00 0.00 0.00 174.94 176.44 2a22 s VAL 65 N 1.02 5.23 0.06 2.92 -7.23 -0.86 -4.05 120.40 117.48 2a22 s VAL 65 Ca -0.08 -0.67 -0.27 0.00 -1.81 0.00 0.00 61.98 59.15 2a22 s VAL 65 Cb -0.15 -3.81 -0.05 0.00 0.56 0.00 0.00 36.38 32.94 2a22 s VAL 65 CO -0.01 -0.29 0.85 -0.55 -0.31 0.00 0.00 175.10 174.80 2a22 s SER 66 N -3.64 7.32 0.17 4.85 0.15 0.62 -3.40 113.70 119.76 2a22 s SER 66 Ca 0.36 1.58 0.02 0.00 0.70 0.00 0.00 55.95 58.61 2a22 s SER 66 Cb -0.10 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 2a22 s SER 66 CO 0.30 -0.05 0.17 0.61 1.20 0.00 0.00 173.24 175.47 2a22 n GLY 67 N 2.44 1.77 0.14 9.45 0.00 -1.26 -4.55 105.19 113.18 2a22 n GLY 67 Ca 0.00 -2.12 0.13 0.00 0.00 0.00 0.00 46.02 44.03 2a22 n GLY 67 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2a22 h ASP 68 N -0.00 0.00 -0.35 1.61 2.03 -1.97 -3.23 116.42 114.52 2a22 h ASP 68 Ca -0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 2a22 h ASP 68 Cb 0.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 2a22 h ASP 68 CO 0.08 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.47 2a22 n LEU 69 N -2.44 3.80 -2.09 0.15 4.77 -1.26 -4.72 117.00 115.20 2a22 n LEU 69 Ca 0.04 -2.64 -0.14 0.00 -0.03 0.00 0.00 56.01 53.24 2a22 n LEU 69 Cb 0.40 -0.46 0.25 0.00 -2.33 0.00 0.00 43.42 41.28 2a22 n LEU 69 CO 0.29 0.70 1.14 0.47 -1.33 0.00 0.00 177.39 178.66 2a22 n ASP 70 N 0.04 4.35 0.22 -1.43 8.00 -1.22 -4.53 116.55 121.98 2a22 n ASP 70 Ca 0.19 -3.36 0.09 0.00 0.71 0.00 0.00 54.79 52.42 2a22 n ASP 70 Cb 0.77 -0.78 0.50 0.00 -0.02 0.00 0.00 41.12 41.59 2a22 n ASP 70 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2a22 h SER 71 N 1.92 0.00 0.25 -2.24 4.64 -1.86 -2.62 113.55 113.63 2a22 h SER 71 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2a22 h SER 71 Cb 2.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.64 2a22 h SER 71 CO 0.89 0.25 -0.03 0.00 -0.87 0.00 0.00 176.83 177.07 2a22 n ALA 72 N -2.30 2.64 -2.75 5.18 0.00 -1.26 -4.84 120.51 117.17 2a22 n ALA 72 Ca -0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 2a22 n ALA 72 Cb 0.38 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.32 2a22 n ALA 72 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2a22 s ILE 73 N -2.28 4.61 -0.11 0.00 -4.36 -0.99 -4.71 121.20 113.37 2a22 s ILE 73 Ca 0.37 -0.37 0.01 0.00 -0.26 0.00 0.00 60.65 60.40 2a22 s ILE 73 Cb 0.21 -3.06 -0.01 0.00 1.25 0.00 0.00 42.46 40.84 2a22 s ILE 73 CO 0.42 0.42 -0.16 0.12 0.24 0.00 0.00 174.94 175.98 2a22 s PHE 74 N -1.11 2.73 -0.39 1.37 5.36 -1.26 -4.88 117.98 119.81 2a22 s PHE 74 Ca 0.20 -0.65 -0.23 0.00 -0.96 0.00 0.00 56.93 55.30 2a22 s PHE 74 Cb -0.12 -1.77 0.01 0.00 -0.34 0.00 0.00 43.02 40.80 2a22 s PHE 74 CO 0.11 -0.19 0.75 1.21 -1.46 0.00 0.00 175.22 175.64 2a22 s ASN 75 N 0.16 6.49 0.31 6.13 2.47 0.12 -4.94 114.94 125.68 2a22 s ASN 75 Ca -0.09 0.19 0.26 0.00 0.42 0.00 0.00 52.86 53.64 2a22 s ASN 75 Cb -0.15 -2.38 0.87 0.00 -1.45 0.00 0.00 41.25 38.14 2a22 s ASN 75 CO 0.05 -0.75 1.76 1.55 -3.72 0.00 0.00 177.10 175.99 2a22 h PRO 76 N 8.61 0.00 -3.30 0.43 0.13 -1.96 -3.28 132.00 132.62 2a22 h PRO 76 Ca -0.25 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.43 2a22 h PRO 76 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2a22 h PRO 76 CO 0.91 0.00 0.56 -3.47 -0.23 0.00 0.00 178.00 175.77 2a22 n ASP 77 N -2.52 0.54 0.18 1.44 -0.08 -1.26 -4.73 116.55 110.13 2a22 n ASP 77 Ca 0.03 0.51 0.13 0.00 -1.51 0.00 0.00 54.79 53.96 2a22 n ASP 77 Cb 0.36 -0.49 0.64 0.00 2.34 0.00 0.00 41.12 43.97 2a22 n ASP 77 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2a22 h PRO 78 N 3.89 0.00 -0.02 -0.67 0.11 -2.05 -2.43 132.00 130.83 2a22 h PRO 78 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2a22 h PRO 78 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2a22 h PRO 78 CO 0.57 0.00 -0.15 0.39 -0.21 0.00 0.00 178.00 178.60 2a22 n GLU 79 N -2.41 1.81 0.00 1.05 4.71 -1.26 -4.98 120.64 119.55 2a22 n GLU 79 Ca -0.00 -1.51 0.00 0.00 -0.01 0.00 0.00 57.16 55.63 2a22 n GLU 79 Cb 0.12 -1.42 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 2a22 n GLU 79 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2a22 n SER 80 N 0.79 0.90 -1.78 1.62 3.41 -0.91 -5.08 113.62 112.57 2a22 n SER 80 Ca 0.11 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.53 2a22 n SER 80 Cb 0.51 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.53 2a22 n SER 80 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2a22 n ASN 81 N 0.00 4.57 0.00 4.04 0.23 -1.26 -4.93 115.26 117.90 2a22 n ASN 81 Ca 0.00 -3.78 0.00 0.00 -0.53 0.00 0.00 54.58 50.27 2a22 n ASN 81 Cb 0.00 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.23 2a22 n ASN 81 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2a22 n GLY 82 N -0.83 1.49 3.41 4.83 0.00 -1.24 -5.00 105.19 107.86 2a22 n GLY 82 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 2a22 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a22 s VAL 83 N -3.70 2.61 0.48 1.61 0.11 -1.26 -0.71 120.40 119.55 2a22 s VAL 83 Ca 0.00 -1.08 -0.22 0.00 -2.93 0.00 0.00 61.98 57.75 2a22 s VAL 83 Cb 0.00 -2.03 -0.07 0.00 -1.53 0.00 0.00 36.38 32.75 2a22 s VAL 83 CO 0.00 0.46 1.14 -0.36 -3.33 0.00 0.00 175.10 173.01 2a22 s PHE 84 N -0.79 2.84 0.71 1.54 0.08 -1.26 -4.75 117.98 116.34 2a22 s PHE 84 Ca 0.12 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.61 2a22 s PHE 84 Cb -0.10 -3.32 0.02 0.00 -0.57 0.00 0.00 43.02 39.04 2a22 s PHE 84 CO 0.02 -1.45 1.07 -1.25 -0.10 0.00 0.00 175.22 173.51 2a22 s PRO 85 N -2.90 2.82 0.17 0.24 0.04 -1.26 -4.30 135.00 129.82 2a22 s PRO 85 Ca 0.66 1.01 0.18 0.00 0.04 0.00 0.00 61.00 62.89 2a22 s PRO 85 Cb -0.26 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2a22 s PRO 85 CO 0.31 -1.19 1.05 0.93 0.04 0.00 0.00 177.00 178.14 2a22 h GLU 86 N -0.75 0.00 -4.77 4.56 5.08 -1.91 0.18 114.58 116.97 2a22 h GLU 86 Ca -0.44 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.47 2a22 h GLU 86 Cb 1.21 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.16 2a22 h GLU 86 CO 0.56 0.22 -0.80 0.71 -1.00 0.00 0.00 179.01 178.70 2a22 s TYR 87 N -3.07 1.11 -0.03 4.33 1.51 -1.26 -4.22 117.35 115.71 2a22 s TYR 87 Ca -0.00 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 2a22 s TYR 87 Cb 0.08 -0.77 0.01 0.00 -0.11 0.00 0.00 41.96 41.17 2a22 s TYR 87 CO 0.78 -0.11 -0.07 0.08 -1.11 0.00 0.00 175.55 175.12 2a22 s VAL 88 N 0.13 0.69 -0.11 0.71 1.01 -0.35 -5.01 120.40 117.47 2a22 s VAL 88 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2a22 s VAL 88 Cb -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2a22 s VAL 88 CO 0.01 0.23 -0.10 -0.69 0.00 0.00 0.00 175.10 174.55 2a22 s VAL 89 N 0.39 1.17 -0.01 2.92 1.01 -1.26 0.52 120.40 125.14 2a22 s VAL 89 Ca -0.06 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2a22 s VAL 89 Cb -0.10 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.14 2a22 s VAL 89 CO 0.01 0.39 -0.04 0.54 0.00 0.00 0.00 175.10 175.99 2a22 s VAL 90 N 1.50 0.38 -0.25 2.92 0.11 -0.06 -4.94 120.40 120.06 2a22 s VAL 90 Ca 0.02 -0.18 -0.23 0.00 -2.93 0.00 0.00 61.98 58.66 2a22 s VAL 90 Cb -0.13 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 2a22 s VAL 90 CO -0.07 0.12 0.78 -1.58 -3.33 0.00 0.00 175.10 171.02 2a22 s GLN 91 N 0.03 4.14 -0.18 1.54 2.00 -1.26 -0.13 119.66 125.81 2a22 s GLN 91 Ca 0.00 0.81 -0.00 0.00 -2.00 0.00 0.00 55.36 54.17 2a22 s GLN 91 Cb -0.04 -3.66 0.04 0.00 0.80 0.00 0.00 33.01 30.16 2a22 s GLN 91 CO -0.00 -0.52 -0.07 0.42 -0.50 0.00 0.00 175.29 174.62 2a22 s ILE 92 N 2.78 1.26 0.00 -2.34 1.01 0.12 -4.98 121.20 119.07 2a22 s ILE 92 Ca 0.33 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2a22 s ILE 92 Cb -0.15 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.91 2a22 s ILE 92 CO 0.08 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2a22 n GLY 93 N 4.82 3.69 0.43 6.18 0.00 -1.26 -1.17 105.19 117.88 2a22 n GLY 93 Ca -0.13 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.05 2a22 n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2a22 n GLU 94 N 14.00 1.58 -4.61 1.61 -0.58 -1.26 -4.91 120.64 126.47 2a22 n GLU 94 Ca 0.00 -0.86 -0.33 0.00 -0.42 0.00 0.00 57.16 55.54 2a22 n GLU 94 Cb 0.00 -1.42 -0.13 0.00 -0.57 0.00 0.00 31.44 29.32 2a22 n GLU 94 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2a22 s PHE 95 N -1.90 2.91 -0.35 -0.32 0.08 -0.32 -5.04 117.98 113.05 2a22 s PHE 95 Ca 0.35 -0.30 -0.18 0.00 0.12 0.00 0.00 56.93 56.92 2a22 s PHE 95 Cb 0.18 -1.83 -0.00 0.00 -0.57 0.00 0.00 43.02 40.80 2a22 s PHE 95 CO 0.29 0.03 0.51 0.21 -0.10 0.00 0.00 175.22 176.16 2a22 s LYS 96 N -0.04 3.60 -0.21 0.44 2.20 -1.26 0.16 119.74 124.62 2a22 s LYS 96 Ca -0.01 -0.19 -0.06 0.00 -0.36 0.00 0.00 55.97 55.36 2a22 s LYS 96 Cb -0.14 -3.82 -0.02 0.00 -1.51 0.00 0.00 37.83 32.34 2a22 s LYS 96 CO 0.03 -0.65 0.02 0.42 -0.36 0.00 0.00 175.35 174.80 2a22 s ILE 97 N 2.39 4.01 -0.03 5.43 1.01 0.81 0.17 121.20 134.98 2a22 s ILE 97 Ca 0.18 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.39 2a22 s ILE 97 Cb -0.15 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2a22 s ILE 97 CO 0.13 0.41 0.42 -0.83 0.00 0.00 0.00 174.94 175.07 2a22 s GLY 98 N 1.19 2.45 -0.05 6.18 0.00 0.06 -0.88 107.32 116.27 2a22 s GLY 98 Ca 0.03 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.55 2a22 s GLY 98 CO 0.02 0.32 -0.08 -2.27 0.00 0.00 0.00 173.10 171.08 2a22 s LEU 99 N -0.59 1.52 0.17 0.66 2.96 0.18 -0.47 118.68 123.11 2a22 s LEU 99 Ca 0.24 -0.20 -0.21 0.00 -0.22 0.00 0.00 54.13 53.73 2a22 s LEU 99 Cb -0.16 -0.61 0.06 0.00 0.50 0.00 0.00 46.19 45.97 2a22 s LEU 99 CO 0.12 -0.00 0.58 0.00 -1.32 0.00 0.00 176.35 175.73 2a22 s MET 100 N 0.72 1.31 0.14 1.98 0.23 -0.89 -1.20 119.30 121.58 2a22 s MET 100 Ca -0.12 -0.59 -0.14 0.00 -1.03 0.00 0.00 55.69 53.80 2a22 s MET 100 Cb -0.14 0.57 0.01 0.00 -1.53 0.00 0.00 34.83 33.74 2a22 s MET 100 CO 0.02 -0.57 1.65 1.25 -2.03 0.00 0.00 175.02 175.34 2a22 h HIS 101 N 2.07 0.75 0.00 3.16 2.76 -1.73 -3.29 115.15 118.86 2a22 h HIS 101 Ca -0.32 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 2a22 h HIS 101 Cb 1.29 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.04 2a22 h HIS 101 CO 0.27 0.68 0.00 0.41 -1.30 0.00 0.00 177.93 177.99 2a22 n GLY 102 N -0.63 1.49 0.16 5.26 0.00 -1.26 0.06 105.19 110.27 2a22 n GLY 102 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2a22 n GLY 102 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2a22 h ASN 103 N 0.00 0.00 1.87 1.61 -1.07 -1.92 -2.77 115.58 113.30 2a22 h ASN 103 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 2a22 h ASN 103 Cb 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2a22 h ASN 103 CO 0.00 0.00 -0.09 1.56 0.07 0.00 0.00 177.43 178.97 2a22 h GLN 104 N 0.00 0.00 -6.07 4.14 7.50 -1.99 -3.45 115.11 115.25 2a22 h GLN 104 Ca 0.00 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.58 2a22 h GLN 104 Cb 0.22 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.70 2a22 h GLN 104 CO 0.00 0.09 0.34 0.08 -1.50 0.00 0.00 178.83 177.84 2a22 s VAL 105 N -3.19 4.90 -0.09 -0.54 1.01 -1.05 -5.04 120.40 116.41 2a22 s VAL 105 Ca 0.06 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 2a22 s VAL 105 Cb 0.06 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2a22 s VAL 105 CO 0.68 0.09 -0.05 -0.76 0.00 0.00 0.00 175.10 175.06 2a22 s LEU 106 N 1.67 1.02 0.88 3.92 1.43 -1.26 -2.34 118.68 123.98 2a22 s LEU 106 Ca 0.41 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 2a22 s LEU 106 Cb -0.18 -0.68 0.12 0.00 0.03 0.00 0.00 46.19 45.48 2a22 s LEU 106 CO 0.17 -0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.56 2a22 s PRO 107 N 1.69 1.38 0.21 1.29 0.04 -1.26 -4.72 135.00 133.63 2a22 s PRO 107 Ca 0.03 1.26 -0.32 0.00 0.04 0.00 0.00 61.00 62.02 2a22 s PRO 107 Cb -0.13 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.48 2a22 s PRO 107 CO -0.06 -2.29 1.23 0.91 0.04 0.00 0.00 177.00 176.83 2a22 n TRP 108 N -3.97 1.60 -0.88 0.56 8.01 -0.99 -1.42 117.44 120.35 2a22 n TRP 108 Ca 0.10 0.60 0.00 0.00 -1.31 0.00 0.00 57.50 56.88 2a22 n TRP 108 Cb 0.53 -2.34 0.00 0.00 -2.01 0.00 0.00 31.31 27.49 2a22 n TRP 108 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2a22 n ASP 109 N 1.93 -3.82 -4.68 -0.99 8.00 -1.26 -4.94 116.55 110.79 2a22 n ASP 109 Ca 0.13 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 2a22 n ASP 109 Cb 0.28 -2.62 -0.03 0.00 -0.02 0.00 0.00 41.12 38.73 2a22 n ASP 109 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2a22 s ASP 110 N -2.06 6.57 0.23 -2.24 2.15 -0.51 -4.92 116.67 115.89 2a22 s ASP 110 Ca 0.00 2.51 -0.07 0.00 0.43 0.00 0.00 52.55 55.42 2a22 s ASP 110 Cb 0.00 -2.55 0.28 0.00 -0.30 0.00 0.00 42.92 40.35 2a22 s ASP 110 CO 0.00 -0.93 1.85 -0.65 -0.17 0.00 0.00 175.17 175.27 2a22 h PRO 111 N 8.85 0.91 -0.37 4.34 0.11 -1.92 0.08 132.00 143.99 2a22 h PRO 111 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2a22 h PRO 111 Cb 1.20 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2a22 h PRO 111 CO 0.94 0.60 0.25 0.78 -0.21 0.00 0.00 178.00 180.36 2a22 h GLY 112 N 0.94 0.53 1.21 -0.55 0.00 -1.97 -1.16 103.07 102.06 2a22 h GLY 112 Ca 0.34 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 2a22 h GLY 112 CO -0.15 0.19 -0.16 0.23 0.00 0.00 0.00 176.54 176.65 2a22 h SER 113 N 0.50 0.92 -1.00 0.19 0.87 -1.81 -1.81 113.55 111.41 2a22 h SER 113 Ca 0.14 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.40 2a22 h SER 113 Cb -0.05 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.60 2a22 h SER 113 CO -0.03 1.07 0.66 -0.07 -0.53 0.00 0.00 176.83 177.93 2a22 h LEU 114 N 0.80 1.13 -0.36 2.23 3.38 -0.80 -1.78 115.31 119.91 2a22 h LEU 114 Ca 0.12 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2a22 h LEU 114 Cb 0.71 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2a22 h LEU 114 CO 0.05 0.80 0.09 -0.08 0.09 0.00 0.00 178.44 179.39 2a22 h GLU 115 N 1.32 0.57 -0.57 1.13 4.81 -1.03 0.99 114.58 121.80 2a22 h GLU 115 Ca 0.38 -0.14 0.11 0.00 -0.13 0.00 0.00 59.36 59.58 2a22 h GLU 115 Cb -0.10 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.11 2a22 h GLU 115 CO -0.09 0.62 0.05 1.96 -0.73 0.00 0.00 179.01 180.81 2a22 h GLN 116 N 0.43 0.16 -0.40 1.92 4.20 -1.05 -0.61 115.11 119.75 2a22 h GLN 116 Ca 0.11 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 2a22 h GLN 116 Cb 0.30 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2a22 h GLN 116 CO 0.00 0.11 -0.11 -1.49 -0.67 0.00 0.00 178.83 176.67 2a22 h TRP 117 N 0.17 0.78 -0.69 2.96 4.06 -1.04 0.16 115.95 122.35 2a22 h TRP 117 Ca 0.30 -0.14 0.01 0.00 2.06 0.00 0.00 58.89 61.12 2a22 h TRP 117 Cb 0.46 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.38 2a22 h TRP 117 CO -0.30 0.79 0.45 0.37 -3.56 0.00 0.00 178.44 176.19 2a22 h GLN 118 N 0.65 0.89 -0.37 0.49 -0.00 -0.23 -0.85 115.11 115.70 2a22 h GLN 118 Ca 0.11 -0.05 -0.13 0.00 -0.00 0.00 0.00 58.65 58.58 2a22 h GLN 118 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.84 2a22 h GLN 118 CO 0.04 0.59 -0.27 0.00 0.00 0.00 0.00 178.83 179.18 2a22 h ARG 119 N 0.91 0.83 -0.75 1.69 3.08 -0.68 -0.23 114.38 119.23 2a22 h ARG 119 Ca 0.26 -0.40 0.07 0.00 0.07 0.00 0.00 59.98 59.98 2a22 h ARG 119 Cb -0.07 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.92 2a22 h ARG 119 CO -0.07 1.04 0.43 -0.09 -1.07 0.00 0.00 179.97 180.21 2a22 h ARG 120 N 0.62 0.75 -0.00 0.04 9.65 -0.36 -0.40 114.38 124.69 2a22 h ARG 120 Ca 0.07 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2a22 h ARG 120 Cb 0.84 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2a22 h ARG 120 CO 0.07 0.50 -0.19 1.28 2.80 0.00 0.00 179.97 184.44 2a22 n LEU 121 N -4.74 0.66 -3.86 3.80 4.77 -0.35 -4.98 117.00 112.30 2a22 n LEU 121 Ca 0.10 -0.07 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 2a22 n LEU 121 Cb 0.20 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2a22 n LEU 121 CO 0.29 0.13 -0.14 -0.67 -1.33 0.00 0.00 177.39 175.66 2a22 n ASP 122 N -0.90 -3.76 -4.50 -1.43 2.03 -0.15 -4.93 116.55 102.90 2a22 n ASP 122 Ca 0.13 -1.10 -0.25 0.00 0.52 0.00 0.00 54.79 54.09 2a22 n ASP 122 Cb 0.31 -2.83 -0.10 0.00 -0.72 0.00 0.00 41.12 37.78 2a22 n ASP 122 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a22 h ASP 124 N 2.16 0.03 -3.45 0.00 3.32 -0.63 -3.46 116.42 114.40 2a22 h ASP 124 Ca -0.41 -0.05 -0.41 0.00 0.02 0.00 0.00 57.03 56.18 2a22 h ASP 124 Cb 1.26 -0.01 -0.34 0.00 0.22 0.00 0.00 39.33 40.45 2a22 h ASP 124 CO 0.65 1.04 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.81 2a22 s ILE 125 N -2.64 0.50 -0.21 0.35 1.01 -1.16 -1.95 121.20 117.10 2a22 s ILE 125 Ca -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 2a22 s ILE 125 Cb 0.09 -0.54 -0.00 0.00 0.01 0.00 0.00 42.46 42.01 2a22 s ILE 125 CO 0.82 0.22 -0.08 -0.22 0.00 0.00 0.00 174.94 175.69 2a22 s LEU 126 N 1.01 2.73 -0.24 2.97 2.96 0.17 -0.76 118.68 127.51 2a22 s LEU 126 Ca -0.10 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 2a22 s LEU 126 Cb -0.14 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2a22 s LEU 126 CO -0.01 -0.01 0.04 -0.69 -1.32 0.00 0.00 176.35 174.36 2a22 s VAL 127 N 1.40 3.99 0.18 1.68 1.01 0.38 -0.93 120.40 128.12 2a22 s VAL 127 Ca 0.05 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2a22 s VAL 127 Cb -0.14 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2a22 s VAL 127 CO -0.05 0.34 -0.02 0.42 0.00 0.00 0.00 175.10 175.79 2a22 s THR 128 N 1.56 0.85 0.00 3.92 -4.23 -0.29 -2.10 115.64 115.35 2a22 s THR 128 Ca 0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 2a22 s THR 128 Cb -0.15 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2a22 s THR 128 CO 0.01 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 2a22 n GLY 129 N -0.26 3.34 4.52 3.99 0.00 0.11 -3.99 105.19 112.88 2a22 n GLY 129 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2a22 n GLY 129 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2a22 n HIS 130 N 0.00 0.00 0.45 1.61 -0.00 -0.94 -4.59 115.22 111.76 2a22 n HIS 130 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 2a22 n HIS 130 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.14 2a22 n HIS 130 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 2a22 h THR 131 N 0.00 0.00 -0.64 3.57 1.35 -1.93 -3.47 112.91 111.79 2a22 h THR 131 Ca 0.00 -0.63 -0.27 0.00 -0.55 0.00 0.00 66.41 64.96 2a22 h THR 131 Cb 0.00 1.24 -0.11 0.00 -1.73 0.00 0.00 68.15 67.55 2a22 h THR 131 CO 0.00 0.00 -0.25 1.41 -0.25 0.00 0.00 175.52 176.43 2a22 n HIS 132 N -2.30 0.00 -3.49 4.73 8.25 -1.26 -3.46 115.22 117.68 2a22 n HIS 132 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2a22 n HIS 132 Cb 0.47 -2.48 -0.07 0.00 1.12 0.00 0.00 29.99 29.02 2a22 n HIS 132 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2a22 s LYS 133 N -3.08 2.74 0.11 -0.41 2.47 -1.26 -4.50 119.74 115.81 2a22 s LYS 133 Ca 0.00 -1.91 -0.33 0.00 -1.56 0.00 0.00 55.97 52.17 2a22 s LYS 133 Cb 0.00 -4.05 -0.12 0.00 -1.46 0.00 0.00 37.83 32.20 2a22 s LYS 133 CO 0.00 -1.23 1.75 -0.11 0.16 0.00 0.00 175.35 175.92 2a22 n LEU 134 N 4.73 3.66 -3.57 5.43 7.94 -1.26 -4.49 117.00 129.44 2a22 n LEU 134 Ca -0.05 1.02 -0.15 0.00 -1.11 0.00 0.00 56.01 55.72 2a22 n LEU 134 Cb 0.41 -1.49 -0.06 0.00 0.53 0.00 0.00 43.42 42.81 2a22 n LEU 134 CO 0.43 0.00 0.48 -0.60 -1.11 0.00 0.00 177.39 176.60 2a22 s ARG 135 N 2.16 0.91 -0.04 1.96 3.52 -0.15 -4.96 118.95 122.35 2a22 s ARG 135 Ca 0.82 0.51 -0.02 0.00 -0.13 0.00 0.00 55.73 56.91 2a22 s ARG 135 Cb -0.58 0.43 0.03 0.00 -1.56 0.00 0.00 34.95 33.28 2a22 s ARG 135 CO 0.39 -0.22 0.05 0.08 -0.81 0.00 0.00 175.30 174.79 2a22 s VAL 136 N -0.58 -0.06 0.09 7.11 1.01 -1.26 -1.10 120.40 125.61 2a22 s VAL 136 Ca -0.06 0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 2a22 s VAL 136 Cb -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.19 2a22 s VAL 136 CO 0.05 0.18 0.22 0.72 0.00 0.00 0.00 175.10 176.27 2a22 s PHE 137 N 2.02 0.10 0.06 5.22 -0.12 -0.61 -5.02 117.98 119.63 2a22 s PHE 137 Ca 0.03 -0.51 0.09 0.00 -0.05 0.00 0.00 56.93 56.49 2a22 s PHE 137 Cb -0.12 -0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 2a22 s PHE 137 CO -0.03 -0.56 -0.25 -2.00 -0.05 0.00 0.00 175.22 172.32 2a22 s GLU 138 N -3.84 1.60 -0.24 1.99 2.12 -1.26 -0.65 118.70 118.42 2a22 s GLU 138 Ca 0.05 -1.12 -0.11 0.00 0.36 0.00 0.00 54.97 54.14 2a22 s GLU 138 Cb 0.04 -1.83 0.09 0.00 0.26 0.00 0.00 34.13 32.69 2a22 s GLU 138 CO -0.11 0.46 0.56 0.21 -0.54 0.00 0.00 175.26 175.84 2a22 s LYS 139 N -1.42 0.53 -1.54 4.30 2.20 -0.30 -4.93 119.74 118.59 2a22 s LYS 139 Ca 0.11 1.14 -0.14 0.00 -0.36 0.00 0.00 55.97 56.72 2a22 s LYS 139 Cb -0.10 0.30 0.09 0.00 -1.51 0.00 0.00 37.83 36.61 2a22 s LYS 139 CO 0.03 -0.18 0.94 0.09 -0.36 0.00 0.00 175.35 175.87 2a22 n ASN 140 N 4.76 -4.39 -0.06 1.43 3.02 -1.26 -1.37 115.26 117.39 2a22 n ASN 140 Ca -0.17 -0.81 -0.01 0.00 -0.03 0.00 0.00 54.58 53.56 2a22 n ASN 140 Cb 0.54 -3.74 -0.00 0.00 -0.61 0.00 0.00 39.78 35.97 2a22 n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a22 n GLY 141 N -1.66 0.41 3.50 7.41 0.00 -1.26 -5.02 105.19 108.57 2a22 n GLY 141 Ca 0.02 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2a22 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a22 s LYS 142 N -0.87 2.29 -0.19 1.61 -0.14 -0.48 -4.91 119.74 117.06 2a22 s LYS 142 Ca 0.00 -0.86 -0.08 0.00 -1.36 0.00 0.00 55.97 53.67 2a22 s LYS 142 Cb 0.00 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 2a22 s LYS 142 CO 0.00 0.57 0.08 -1.17 -0.76 0.00 0.00 175.35 174.07 2a22 s LEU 143 N -1.34 3.90 -0.16 3.17 2.96 -0.82 -1.14 118.68 125.25 2a22 s LEU 143 Ca 0.15 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2a22 s LEU 143 Cb -0.11 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.61 2a22 s LEU 143 CO 0.05 0.18 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.74 2a22 s PHE 144 N 0.35 2.41 -0.03 5.38 0.08 0.18 -0.65 117.98 125.70 2a22 s PHE 144 Ca 0.04 -1.41 0.05 0.00 0.12 0.00 0.00 56.93 55.73 2a22 s PHE 144 Cb -0.12 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 2a22 s PHE 144 CO -0.00 -0.73 -0.17 -0.51 -0.10 0.00 0.00 175.22 173.71 2a22 s LEU 145 N 1.41 1.97 -0.22 -0.37 1.43 -0.10 -1.58 118.68 121.22 2a22 s LEU 145 Ca 0.04 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2a22 s LEU 145 Cb -0.13 -0.90 0.07 0.00 0.03 0.00 0.00 46.19 45.25 2a22 s LEU 145 CO -0.11 0.18 0.04 0.21 0.23 0.00 0.00 176.35 176.90 2a22 s ASN 146 N -0.20 3.17 0.00 2.29 3.84 -0.26 -1.13 114.94 122.65 2a22 s ASN 146 Ca 0.02 -0.98 0.14 0.00 0.21 0.00 0.00 52.86 52.25 2a22 s ASN 146 Cb -0.09 -0.67 0.82 0.00 -0.55 0.00 0.00 41.25 40.77 2a22 s ASN 146 CO 0.00 -0.32 1.50 -0.81 -2.79 0.00 0.00 177.10 174.69 2a22 n PRO 147 N 5.00 0.96 0.00 0.43 -0.04 -1.26 -0.97 135.00 139.12 2a22 n PRO 147 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2a22 n PRO 147 Cb 0.46 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2a22 n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a22 n GLY 148 N 0.67 0.21 3.64 0.55 0.00 -1.26 -3.40 105.19 105.60 2a22 n GLY 148 Ca 0.10 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 2a22 n GLY 148 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a22 s THR 149 N 0.00 5.14 0.30 2.61 -1.32 -1.26 -4.16 115.64 116.95 2a22 s THR 149 Ca 0.00 0.76 0.25 0.00 -1.21 0.00 0.00 61.69 61.49 2a22 s THR 149 Cb 0.00 -3.77 0.26 0.00 -1.51 0.00 0.00 72.50 67.48 2a22 s THR 149 CO 0.00 0.17 1.96 0.00 -2.21 0.00 0.00 174.62 174.53 2a22 h ALA 150 N 7.77 1.17 0.00 11.08 0.00 -1.17 0.15 119.26 138.27 2a22 h ALA 150 Ca -0.32 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2a22 h ALA 150 Cb 1.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2a22 h ALA 150 CO 0.70 0.23 -1.65 0.25 0.00 0.00 0.00 179.25 178.78 2a22 n THR 151 N -3.56 0.01 -1.00 0.00 -2.24 -1.26 -4.07 114.28 102.16 2a22 n THR 151 Ca -0.01 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2a22 n THR 151 Cb 0.33 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2a22 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a22 n GLY 152 N 1.34 0.51 3.53 3.38 0.00 -1.16 -4.60 105.19 108.18 2a22 n GLY 152 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2a22 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a22 n ALA 153 N 1.00 -0.82 -1.98 4.61 0.00 -1.26 -4.80 120.51 117.25 2a22 n ALA 153 Ca 0.00 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 2a22 n ALA 153 Cb 0.02 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 2a22 n ALA 153 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2a22 s PHE 154 N -1.29 3.17 -0.06 0.00 5.36 -1.26 -4.93 117.98 118.98 2a22 s PHE 154 Ca 0.62 1.10 0.02 0.00 -0.96 0.00 0.00 56.93 57.71 2a22 s PHE 154 Cb -0.63 -3.69 0.02 0.00 -0.34 0.00 0.00 43.02 38.37 2a22 s PHE 154 CO 0.58 -2.25 -0.10 0.45 -1.46 0.00 0.00 175.22 172.44 2a22 s SER 155 N 0.47 1.49 0.55 6.13 0.15 -1.26 -5.03 113.70 116.19 2a22 s SER 155 Ca 0.59 -0.24 0.30 0.00 0.70 0.00 0.00 55.95 57.30 2a22 s SER 155 Cb -0.38 -0.70 1.47 0.00 -1.71 0.00 0.00 66.02 64.70 2a22 s SER 155 CO 0.38 0.01 1.89 0.00 1.20 0.00 0.00 173.24 176.72 2a22 h ALA 156 N 7.02 2.69 -0.37 5.45 0.00 -1.96 -1.09 119.26 131.01 2a22 h ALA 156 Ca -0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2a22 h ALA 156 Cb 1.18 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2a22 h ALA 156 CO 0.48 -1.00 0.01 -0.07 0.00 0.00 0.00 179.25 178.67 2a22 h LEU 157 N 0.00 0.54 -5.99 0.00 4.07 -1.95 -3.36 115.31 108.62 2a22 h LEU 157 Ca 0.37 -0.10 -0.48 0.00 0.08 0.00 0.00 57.88 57.74 2a22 h LEU 157 Cb 1.56 -0.14 -0.33 0.00 1.08 0.00 0.00 40.66 42.83 2a22 h LEU 157 CO -0.00 0.61 -0.88 0.41 -1.08 0.00 0.00 178.44 177.50 2a22 n THR 158 N -4.27 -0.88 -1.95 0.22 -1.04 -0.45 -5.00 114.28 100.91 2a22 n THR 158 Ca 0.02 -2.92 -0.39 0.00 -2.04 0.00 0.00 64.05 58.72 2a22 n THR 158 Cb 0.25 -1.03 0.01 0.00 -1.82 0.00 0.00 70.33 67.74 2a22 n THR 158 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2a22 s PRO 159 N 0.11 3.68 0.00 -2.82 0.02 -0.96 -2.33 135.00 132.71 2a22 s PRO 159 Ca 0.33 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2a22 s PRO 159 Cb 0.05 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 32.00 2a22 s PRO 159 CO -0.16 -0.74 0.00 -0.25 -0.33 0.00 0.00 177.00 175.52 2a22 n ASP 160 N -0.29 -3.12 -4.65 2.53 8.00 -1.26 -4.98 116.55 112.77 2a22 n ASP 160 Ca 0.06 0.00 -0.47 0.00 0.71 0.00 0.00 54.79 55.09 2a22 n ASP 160 Cb 0.44 -1.64 -0.04 0.00 -0.02 0.00 0.00 41.12 39.86 2a22 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a22 n ALA 161 N 1.00 0.73 -1.93 2.24 0.00 -0.98 -4.99 120.51 116.57 2a22 n ALA 161 Ca 0.00 0.46 -0.28 0.00 0.00 0.00 0.00 53.44 53.62 2a22 n ALA 161 Cb 0.16 -2.27 0.07 0.00 0.00 0.00 0.00 19.45 17.41 2a22 n ALA 161 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2a22 s PRO 162 N 0.61 2.34 0.34 0.00 0.04 -1.26 -4.72 135.00 132.34 2a22 s PRO 162 Ca 0.79 0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 2a22 s PRO 162 Cb -0.74 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.61 2a22 s PRO 162 CO 0.42 -1.26 1.51 -2.14 0.04 0.00 0.00 177.00 175.56 2a22 s PRO 163 N -5.36 4.13 0.16 0.56 0.02 -1.26 -4.43 135.00 128.83 2a22 s PRO 163 Ca 0.60 2.54 -0.21 0.00 0.02 0.00 0.00 61.00 63.95 2a22 s PRO 163 Cb -0.11 -3.00 0.06 0.00 0.02 0.00 0.00 34.50 31.47 2a22 s PRO 163 CO 0.48 -0.54 0.56 -1.54 -0.33 0.00 0.00 177.00 175.62 2a22 s SER 164 N 0.06 -0.45 0.33 2.53 1.04 0.51 -1.53 113.70 116.19 2a22 s SER 164 Ca 0.56 -0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.67 2a22 s SER 164 Cb -0.46 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.27 2a22 s SER 164 CO 0.57 -0.97 0.75 0.72 0.98 0.00 0.00 173.24 175.28 2a22 s PHE 165 N -3.78 0.00 0.01 5.02 -0.12 -0.81 -2.86 117.98 115.45 2a22 s PHE 165 Ca 0.03 -0.57 0.05 0.00 -0.05 0.00 0.00 56.93 56.38 2a22 s PHE 165 Cb -0.01 0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 43.12 2a22 s PHE 165 CO -0.11 -1.40 -0.14 -1.64 -0.05 0.00 0.00 175.22 171.88 2a22 s MET 166 N -3.09 1.05 -0.16 1.99 -1.94 -0.69 -1.43 119.30 115.04 2a22 s MET 166 Ca 0.14 -0.64 -0.04 0.00 -1.71 0.00 0.00 55.69 53.44 2a22 s MET 166 Cb -0.05 -1.05 -0.03 0.00 2.01 0.00 0.00 34.83 35.71 2a22 s MET 166 CO 0.10 0.27 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.84 2a22 s LEU 167 N -0.74 3.30 -0.23 -0.03 1.43 -0.34 -0.16 118.68 121.92 2a22 s LEU 167 Ca 0.04 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2a22 s LEU 167 Cb -0.07 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.41 2a22 s LEU 167 CO 0.00 0.17 -0.09 -0.32 0.23 0.00 0.00 176.35 176.35 2a22 s MET 168 N 0.35 1.95 -0.15 1.70 -2.45 0.15 -0.85 119.30 120.01 2a22 s MET 168 Ca -0.04 -1.07 -0.19 0.00 -1.25 0.00 0.00 55.69 53.14 2a22 s MET 168 Cb -0.14 -2.65 -0.04 0.00 1.25 0.00 0.00 34.83 33.26 2a22 s MET 168 CO 0.03 -0.54 0.55 0.00 1.05 0.00 0.00 175.02 176.10 2a22 s ALA 169 N 1.30 3.48 -0.12 4.11 0.00 0.13 -0.65 121.76 130.01 2a22 s ALA 169 Ca -0.06 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2a22 s ALA 169 Cb -0.18 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.15 2a22 s ALA 169 CO -0.06 -0.23 -0.21 -0.51 0.00 0.00 0.00 175.76 174.75 2a22 s LEU 170 N 1.15 2.00 -0.20 0.00 1.43 -0.54 0.46 118.68 122.98 2a22 s LEU 170 Ca 0.28 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 2a22 s LEU 170 Cb -0.16 -1.32 0.09 0.00 0.03 0.00 0.00 46.19 44.83 2a22 s LEU 170 CO 0.11 0.09 0.40 -1.58 0.23 0.00 0.00 176.35 175.60 2a22 s GLN 171 N 0.70 0.31 5.25 1.70 0.74 -0.70 -1.00 119.66 126.66 2a22 s GLN 171 Ca -0.11 0.95 0.00 0.00 0.05 0.00 0.00 55.36 56.25 2a22 s GLN 171 Cb -0.16 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.15 2a22 s GLN 171 CO 0.02 -0.31 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 2a22 n GLY 172 N 5.38 3.06 1.04 2.59 0.00 -1.26 -1.04 105.19 114.96 2a22 n GLY 172 Ca -0.08 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.85 2a22 n GLY 172 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a22 n ASN 173 N 2.70 3.00 -4.68 1.61 3.02 -1.26 -4.33 115.26 115.31 2a22 n ASN 173 Ca 0.00 -2.24 -0.35 0.00 -0.03 0.00 0.00 54.58 51.96 2a22 n ASN 173 Cb 0.00 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.65 2a22 n ASN 173 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2a22 s LYS 174 N -1.68 3.42 -0.18 3.52 2.20 -0.21 -0.82 119.74 125.99 2a22 s LYS 174 Ca 0.31 -0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 55.53 2a22 s LYS 174 Cb 0.19 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 2a22 s LYS 174 CO 0.16 0.54 -0.05 0.08 -0.36 0.00 0.00 175.35 175.71 2a22 s VAL 175 N -0.40 3.55 -0.23 4.02 1.01 0.12 -1.73 120.40 126.75 2a22 s VAL 175 Ca 0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2a22 s VAL 175 Cb -0.12 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2a22 s VAL 175 CO 0.02 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 2a22 s VAL 176 N 0.79 2.85 -0.20 2.92 1.01 0.17 -1.17 120.40 126.77 2a22 s VAL 176 Ca -0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 2a22 s VAL 176 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2a22 s VAL 176 CO 0.02 0.31 -0.01 -0.22 0.00 0.00 0.00 175.10 175.19 2a22 s LEU 177 N 1.35 3.16 -0.31 3.92 2.96 0.67 0.22 118.68 130.65 2a22 s LEU 177 Ca 0.02 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 2a22 s LEU 177 Cb -0.15 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.75 2a22 s LEU 177 CO -0.06 0.05 0.10 -0.31 -1.32 0.00 0.00 176.35 174.81 2a22 s TYR 178 N 1.09 3.17 -0.34 5.38 2.02 -0.03 -1.26 117.35 127.38 2a22 s TYR 178 Ca 0.02 -1.03 -0.13 0.00 -0.37 0.00 0.00 57.07 55.55 2a22 s TYR 178 Cb -0.14 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.13 2a22 s TYR 178 CO 0.01 -0.60 0.27 0.08 -1.57 0.00 0.00 175.55 173.74 2a22 s VAL 179 N 1.49 5.26 -0.15 0.71 1.01 0.31 -1.19 120.40 127.84 2a22 s VAL 179 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 2a22 s VAL 179 Cb -0.18 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2a22 s VAL 179 CO 0.03 -0.04 0.09 -0.31 0.00 0.00 0.00 175.10 174.87 2a22 s TYR 180 N 1.78 3.39 0.05 5.22 2.02 -0.52 -0.82 117.35 128.48 2a22 s TYR 180 Ca 0.07 0.31 -0.04 0.00 -0.37 0.00 0.00 57.07 57.03 2a22 s TYR 180 Cb -0.17 -2.00 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 2a22 s TYR 180 CO 0.11 0.44 0.07 0.16 -1.57 0.00 0.00 175.55 174.76 2a22 s ASP 181 N -0.34 0.27 -0.32 2.29 1.47 -0.68 -1.92 116.67 117.43 2a22 s ASP 181 Ca 0.10 -0.70 -0.04 0.00 1.18 0.00 0.00 52.55 53.09 2a22 s ASP 181 Cb -0.12 0.23 0.05 0.00 -0.34 0.00 0.00 42.92 42.74 2a22 s ASP 181 CO 0.01 -0.57 0.05 -0.22 0.68 0.00 0.00 175.17 175.12 2a22 s LEU 182 N -2.48 4.12 -0.07 2.11 2.96 -0.58 -0.36 118.68 124.38 2a22 s LEU 182 Ca 0.00 -1.25 0.03 0.00 -0.22 0.00 0.00 54.13 52.69 2a22 s LEU 182 Cb 0.02 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.94 2a22 s LEU 182 CO -0.07 -0.30 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.37 2a22 s ARG 183 N 1.31 2.01 -1.36 1.98 0.52 -0.30 -4.20 118.95 118.91 2a22 s ARG 183 Ca -0.03 -0.57 -0.02 0.00 -0.52 0.00 0.00 55.73 54.58 2a22 s ARG 183 Cb -0.20 -1.64 0.01 0.00 0.52 0.00 0.00 34.95 33.65 2a22 s ARG 183 CO 0.00 0.13 0.68 -0.25 0.02 0.00 0.00 175.30 175.88 2a22 n ASP 184 N 3.55 -1.49 0.00 0.23 8.00 -1.26 -1.25 116.55 124.33 2a22 n ASP 184 Ca -0.21 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.44 2a22 n ASP 184 Cb 0.52 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.81 2a22 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a22 n GLY 185 N -1.67 1.65 3.57 0.44 0.00 -1.26 -4.97 105.19 102.95 2a22 n GLY 185 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2a22 n GLY 185 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2a22 s LYS 186 N -0.09 3.11 -0.21 1.61 2.20 -0.38 -5.09 119.74 120.89 2a22 s LYS 186 Ca 0.00 -0.51 -0.25 0.00 -0.36 0.00 0.00 55.97 54.85 2a22 s LYS 186 Cb 0.00 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 2a22 s LYS 186 CO 0.00 0.53 0.83 0.99 -0.36 0.00 0.00 175.35 177.34 2a22 s THR 187 N -0.43 4.86 -0.04 3.43 2.01 -1.26 -1.15 115.64 123.06 2a22 s THR 187 Ca 0.07 1.60 0.01 0.00 0.31 0.00 0.00 61.69 63.67 2a22 s THR 187 Cb -0.12 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 2a22 s THR 187 CO 0.02 -0.02 -0.03 0.20 -0.69 0.00 0.00 174.62 174.10 2a22 s ASN 188 N 1.24 4.94 -0.07 3.53 0.01 0.51 -4.98 114.94 120.13 2a22 s ASN 188 Ca 0.37 -0.00 0.04 0.00 -0.71 0.00 0.00 52.86 52.56 2a22 s ASN 188 Cb -0.16 -1.28 -0.00 0.00 0.41 0.00 0.00 41.25 40.22 2a22 s ASN 188 CO 0.10 0.32 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.12 2a22 s VAL 189 N -0.96 1.67 -0.10 1.60 1.01 -1.26 -1.69 120.40 120.67 2a22 s VAL 189 Ca 0.16 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2a22 s VAL 189 Cb -0.11 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.83 2a22 s VAL 189 CO 0.06 0.47 -0.18 0.00 0.00 0.00 0.00 175.10 175.45 2a22 s ALA 190 N 0.20 1.81 -0.11 5.51 0.00 0.00 -4.93 121.76 124.23 2a22 s ALA 190 Ca -0.10 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 2a22 s ALA 190 Cb -0.15 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2a22 s ALA 190 CO 0.05 0.06 -0.03 1.41 0.00 0.00 0.00 175.76 177.24 2a22 s MET 191 N 0.74 3.25 0.06 0.00 1.75 -1.26 -0.53 119.30 123.31 2a22 s MET 191 Ca -0.11 -0.49 0.02 0.00 -1.25 0.00 0.00 55.69 53.86 2a22 s MET 191 Cb -0.16 -2.80 -0.03 0.00 2.84 0.00 0.00 34.83 34.68 2a22 s MET 191 CO 0.02 0.48 -0.08 -1.12 -0.65 0.00 0.00 175.02 173.67 2a22 s SER 192 N -0.29 0.99 0.06 1.11 0.01 -0.39 -4.99 113.70 110.20 2a22 s SER 192 Ca 0.05 -0.66 0.06 0.00 1.31 0.00 0.00 55.95 56.71 2a22 s SER 192 Cb -0.12 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 2a22 s SER 192 CO 0.02 -0.25 -0.17 -1.61 0.41 0.00 0.00 173.24 171.64 2a22 s GLU 193 N -2.11 1.06 0.07 12.44 2.02 -1.26 -0.24 118.70 130.68 2a22 s GLU 193 Ca -0.04 -0.93 -0.11 0.00 0.02 0.00 0.00 54.97 53.91 2a22 s GLU 193 Cb -0.07 -1.15 0.01 0.00 0.10 0.00 0.00 34.13 33.02 2a22 s GLU 193 CO -0.01 0.28 0.24 -0.06 0.02 0.00 0.00 175.26 175.73 2a22 s PHE 194 N -0.99 0.03 -0.01 1.61 0.08 -0.32 -4.99 117.98 113.38 2a22 s PHE 194 Ca 0.03 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.79 2a22 s PHE 194 Cb -0.09 0.02 -0.00 0.00 -0.57 0.00 0.00 43.02 42.37 2a22 s PHE 194 CO 0.02 -0.52 -0.09 -1.12 -0.10 0.00 0.00 175.22 173.42 2a22 s SER 195 N -2.44 1.06 0.00 1.36 0.01 -1.26 0.14 113.70 112.57 2a22 s SER 195 Ca -0.01 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.10 2a22 s SER 195 Cb 0.01 -0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.15 2a22 s SER 195 CO -0.07 0.10 0.56 1.17 0.41 0.00 0.00 173.24 175.41