#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h s LEU 31 N 0.00 4.23 0.43 3.22 1.43 -1.26 -5.10 118.68 121.63 3a0h s LEU 31 Ca 0.00 0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 3a0h s LEU 31 Cb 0.00 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3a0h s LEU 31 CO 0.00 0.20 0.71 0.42 0.23 0.00 0.00 176.35 177.91 3a0h s THR 32 N 0.21 4.96 0.22 5.49 -4.23 -1.26 -4.88 115.64 116.15 3a0h s THR 32 Ca 0.09 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.55 3a0h s THR 32 Cb -0.11 -3.85 0.16 0.00 1.34 0.00 0.00 72.50 70.04 3a0h s THR 32 CO -0.01 -0.72 1.79 0.22 -0.54 0.00 0.00 174.62 175.36 3a0h h TYR 33 N 0.51 0.66 0.00 3.99 3.20 -1.99 0.57 116.97 123.92 3a0h h TYR 33 Ca -0.48 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3a0h h TYR 33 Cb 1.21 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.28 3a0h h TYR 33 CO 0.56 0.28 0.00 -3.47 -1.64 0.00 0.00 178.16 173.89 3a0h n ASP 34 N -4.82 0.00 -0.10 -2.11 4.64 -1.26 0.48 116.55 113.37 3a0h n ASP 34 Ca 0.10 0.36 -0.11 0.00 -1.38 0.00 0.00 54.79 53.76 3a0h n ASP 34 Cb 0.23 -0.42 -0.13 0.00 -1.04 0.00 0.00 41.12 39.76 3a0h n ASP 34 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 3a0h n ASP 35 N -1.42 1.23 -0.01 1.67 2.03 0.16 -4.61 116.55 115.62 3a0h n ASP 35 Ca 0.03 -0.05 0.11 0.00 0.52 0.00 0.00 54.79 55.40 3a0h n ASP 35 Cb 0.09 0.44 -0.15 0.00 -0.72 0.00 0.00 41.12 40.78 3a0h n ASP 35 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3a0h n ILE 36 N -2.85 0.00 -2.10 5.18 5.41 0.78 -4.90 119.36 120.88 3a0h n ILE 36 Ca -0.33 -0.35 -0.42 0.00 1.00 0.00 0.00 62.75 62.65 3a0h n ILE 36 Cb 1.02 0.30 -0.03 0.00 -0.71 0.00 0.00 39.64 40.22 3a0h n ILE 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3a0h s VAL 37 N -3.36 3.02 0.00 1.39 0.11 0.18 -2.63 120.40 119.10 3a0h s VAL 37 Ca -0.03 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 59.79 3a0h s VAL 37 Cb 0.15 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 3a0h s VAL 37 CO 0.90 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 173.36 3a0h n GLY 38 N 3.12 2.65 0.30 6.54 0.00 -1.26 -4.88 105.19 111.66 3a0h n GLY 38 Ca 0.10 -0.55 0.17 0.00 0.00 0.00 0.00 46.02 45.74 3a0h n GLY 38 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3a0h h THR 39 N 0.00 0.34 -1.37 2.61 1.35 -1.85 -3.44 112.91 110.54 3a0h h THR 39 Ca 0.00 -0.17 -0.17 0.00 -0.55 0.00 0.00 66.41 65.53 3a0h h THR 39 Cb 0.00 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3a0h h THR 39 CO 0.00 0.03 -0.22 0.61 -0.25 0.00 0.00 175.52 175.69 3a0h n GLY 40 N -1.00 0.05 0.13 5.82 0.00 -1.26 -4.91 105.19 104.03 3a0h n GLY 40 Ca -0.02 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 3a0h n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a0h n LEU 41 N -1.32 2.51 0.00 0.99 -0.00 -1.26 -4.12 117.00 113.79 3a0h n LEU 41 Ca -0.09 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 3a0h n LEU 41 Cb 0.57 -1.03 0.00 0.00 -0.00 0.00 0.00 43.42 42.96 3a0h n LEU 41 CO 0.13 0.74 0.44 0.00 -0.00 0.00 0.00 177.39 178.70 3a0h n ALA 42 N -3.21 0.62 0.35 1.96 0.00 -1.26 0.19 120.51 119.16 3a0h n ALA 42 Ca -0.36 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.19 3a0h n ALA 42 Cb 0.96 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 3a0h n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a0h n ASN 43 N -1.19 0.43 -4.67 0.00 5.15 -1.26 -4.81 115.26 108.91 3a0h n ASN 43 Ca 0.00 -0.24 -0.35 0.00 -0.60 0.00 0.00 54.58 53.39 3a0h n ASN 43 Cb 0.18 1.37 -0.09 0.00 -0.53 0.00 0.00 39.78 40.70 3a0h n ASN 43 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3a0h s LYS 44 N -3.32 3.71 0.11 1.20 1.02 0.50 -4.39 119.74 118.57 3a0h s LYS 44 Ca -0.01 -0.33 0.09 0.00 0.02 0.00 0.00 55.97 55.73 3a0h s LYS 44 Cb 0.14 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 3a0h s LYS 44 CO 0.87 0.42 -0.18 0.00 -0.92 0.00 0.00 175.35 175.54 3a0h n PRO 46 N 0.89 0.00 -3.86 0.00 -0.02 -1.26 -4.75 135.00 126.00 3a0h n PRO 46 Ca -0.16 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.09 3a0h n PRO 46 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.97 3a0h n PRO 46 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3a0h s THR 47 N 0.00 2.25 -0.08 3.45 2.01 -1.26 -4.57 115.64 117.45 3a0h s THR 47 Ca 0.00 -1.51 -0.01 0.00 0.31 0.00 0.00 61.69 60.48 3a0h s THR 47 Cb 0.00 -2.76 0.03 0.00 0.01 0.00 0.00 72.50 69.77 3a0h s THR 47 CO 0.00 0.00 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.15 3a0h s LEU 48 N -4.09 0.76 0.84 4.42 1.43 -1.26 -5.09 118.68 115.69 3a0h s LEU 48 Ca 0.41 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 3a0h s LEU 48 Cb -0.00 -0.51 0.10 0.00 0.03 0.00 0.00 46.19 45.80 3a0h s LEU 48 CO 0.24 -0.17 1.10 -1.81 0.23 0.00 0.00 176.35 175.94 3a0h s ASP 49 N 1.83 3.87 0.00 2.29 -0.00 -1.26 -4.82 116.67 118.58 3a0h s ASP 49 Ca 0.04 1.80 -0.00 0.00 -0.00 0.00 0.00 52.55 54.38 3a0h s ASP 49 Cb -0.12 -2.44 -0.00 0.00 -0.00 0.00 0.00 42.92 40.35 3a0h s ASP 49 CO -0.05 -2.44 0.35 0.47 -0.00 0.00 0.00 175.17 173.50 3a0h n ASP 50 N -3.78 0.10 -0.21 0.27 8.00 -1.26 -3.37 116.55 116.30 3a0h n ASP 50 Ca 0.09 -1.32 0.09 0.00 0.71 0.00 0.00 54.79 54.36 3a0h n ASP 50 Cb 0.53 -0.02 0.16 0.00 -0.02 0.00 0.00 41.12 41.77 3a0h n ASP 50 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3a0h n THR 51 N 2.58 1.97 -2.70 -3.53 -1.04 -1.26 -5.03 114.28 105.27 3a0h n THR 51 Ca 0.00 -2.43 -0.22 0.00 -2.04 0.00 0.00 64.05 59.36 3a0h n THR 51 Cb 0.01 -0.24 0.08 0.00 -1.82 0.00 0.00 70.33 68.37 3a0h n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a0h s ALA 52 N -2.94 3.97 0.00 2.41 0.00 -1.22 -4.54 121.76 119.45 3a0h s ALA 52 Ca 0.34 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3a0h s ALA 52 Cb 0.30 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.53 3a0h s ALA 52 CO 0.01 -1.20 0.00 2.89 0.00 0.00 0.00 175.76 177.47 3a0h n ARG 53 N -2.61 0.00 -2.68 0.00 1.85 -1.13 -4.77 116.66 107.32 3a0h n ARG 53 Ca 0.14 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.57 3a0h n ARG 53 Cb 0.61 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.98 3a0h n ARG 53 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3a0h s GLY 54 N -1.67 1.14 0.51 2.89 0.00 -1.24 -4.71 107.32 104.24 3a0h s GLY 54 Ca 0.00 -1.68 -0.21 0.00 0.00 0.00 0.00 44.72 42.83 3a0h s GLY 54 CO 0.00 2.41 0.84 0.00 0.00 0.00 0.00 173.10 176.35 3a0h n ALA 55 N 8.59 -0.28 -2.69 3.20 0.00 -1.25 -2.63 120.51 125.45 3a0h n ALA 55 Ca 0.04 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 3a0h n ALA 55 Cb 0.48 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 17.88 3a0h n ALA 55 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3a0h s TYR 56 N -1.47 3.51 -0.85 0.00 5.04 -0.78 -4.42 117.35 118.39 3a0h s TYR 56 Ca 0.68 1.27 -0.25 0.00 -2.44 0.00 0.00 57.07 56.33 3a0h s TYR 56 Cb -0.49 -2.91 -0.04 0.00 0.35 0.00 0.00 41.96 38.86 3a0h s TYR 56 CO 0.53 -0.07 1.92 -1.25 -1.34 0.00 0.00 175.55 175.35 3a0h s PRO 57 N 1.42 2.59 0.32 4.97 0.04 -1.26 -2.72 135.00 140.35 3a0h s PRO 57 Ca 0.38 -0.14 -0.27 0.00 0.04 0.00 0.00 61.00 61.02 3a0h s PRO 57 Cb -0.17 -4.94 -0.10 0.00 0.04 0.00 0.00 34.50 29.33 3a0h s PRO 57 CO 0.16 -3.23 0.96 0.96 0.04 0.00 0.00 177.00 175.89 3a0h s ILE 58 N 9.79 4.10 0.00 0.56 -5.25 0.81 -5.02 121.20 126.19 3a0h s ILE 58 Ca 0.69 1.80 0.00 0.00 -0.99 0.00 0.00 60.65 62.15 3a0h s ILE 58 Cb -0.08 -4.02 0.00 0.00 2.95 0.00 0.00 42.46 41.31 3a0h s ILE 58 CO 0.03 0.20 0.00 -0.67 -1.79 0.00 0.00 174.94 172.71 3a0h n ASP 59 N 0.67 0.00 0.00 4.36 -0.08 -1.26 -4.80 116.55 115.44 3a0h n ASP 59 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 3a0h n ASP 59 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 3a0h n ASP 59 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3a0h n SER 60 N -0.29 0.00 -0.22 1.67 2.88 -1.26 -4.84 113.62 111.56 3a0h n SER 60 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 3a0h n SER 60 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 3a0h n SER 60 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3a0h n SER 61 N 0.00 1.62 -4.23 -3.46 7.64 -1.26 -4.99 113.62 108.94 3a0h n SER 61 Ca 0.00 -1.36 -0.31 0.00 1.01 0.00 0.00 58.87 58.21 3a0h n SER 61 Cb 0.00 -0.02 -0.17 0.00 -1.01 0.00 0.00 64.21 63.01 3a0h n SER 61 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3a0h s GLN 62 N -0.54 2.54 0.09 1.43 -1.52 -1.26 -5.07 119.66 115.33 3a0h s GLN 62 Ca 0.07 -0.83 -0.29 0.00 -1.95 0.00 0.00 55.36 52.35 3a0h s GLN 62 Cb 0.05 -2.08 -0.14 0.00 -0.22 0.00 0.00 33.01 30.61 3a0h s GLN 62 CO 0.07 0.29 1.65 0.00 -0.25 0.00 0.00 175.29 177.05 3a0h h THR 63 N 5.30 0.47 -3.54 -0.19 1.03 -1.95 -3.45 112.91 110.58 3a0h h THR 63 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 3a0h h THR 63 Cb 1.19 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 3a0h h THR 63 CO 0.47 0.00 -0.81 -1.22 -0.01 0.00 0.00 175.52 173.95 3a0h n TYR 64 N -5.38 -4.12 -4.10 0.00 0.53 0.34 -4.67 117.16 99.76 3a0h n TYR 64 Ca -0.10 2.20 -0.08 0.00 -1.02 0.00 0.00 57.90 58.90 3a0h n TYR 64 Cb 0.29 -3.37 -0.10 0.00 -1.03 0.00 0.00 39.34 35.13 3a0h n TYR 64 CO 0.00 0.00 0.00 0.50 -1.02 0.00 0.00 176.86 176.34 3a0h s ARG 65 N -2.19 0.78 -0.01 -0.72 3.52 0.11 -1.77 118.95 118.68 3a0h s ARG 65 Ca 0.00 -1.30 -0.01 0.00 -0.13 0.00 0.00 55.73 54.28 3a0h s ARG 65 Cb 0.00 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 3a0h s ARG 65 CO 0.00 -0.20 0.11 0.42 -0.81 0.00 0.00 175.30 174.82 3a0h s ILE 66 N -3.98 4.93 -0.14 4.11 1.01 -0.73 -1.46 121.20 124.96 3a0h s ILE 66 Ca 0.15 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.49 3a0h s ILE 66 Cb 0.07 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 3a0h s ILE 66 CO -0.04 0.35 -0.17 0.00 0.00 0.00 0.00 174.94 175.08 3a0h s ALA 67 N -1.22 2.45 -0.26 9.38 0.00 0.49 -3.71 121.76 128.88 3a0h s ALA 67 Ca 0.24 -1.00 -0.24 0.00 0.00 0.00 0.00 51.96 50.96 3a0h s ALA 67 Cb -0.12 -1.14 0.04 0.00 0.00 0.00 0.00 23.12 21.90 3a0h s ALA 67 CO 0.15 0.08 0.39 2.89 0.00 0.00 0.00 175.76 179.27 3a0h n ARG 68 N 3.86 -1.14 -2.66 0.00 1.85 -1.13 -2.90 116.66 114.54 3a0h n ARG 68 Ca -0.19 0.84 -0.43 0.00 -1.00 0.00 0.00 57.85 57.08 3a0h n ARG 68 Cb 0.52 -1.18 -0.02 0.00 -1.05 0.00 0.00 32.46 30.73 3a0h n ARG 68 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3a0h s LEU 69 N -1.45 4.20 -0.09 2.89 2.96 0.20 -4.02 118.68 123.38 3a0h s LEU 69 Ca 0.23 1.51 0.03 0.00 -0.22 0.00 0.00 54.13 55.68 3a0h s LEU 69 Cb -0.02 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 3a0h s LEU 69 CO 0.52 -0.53 -0.19 0.00 -1.32 0.00 0.00 176.35 174.83 3a0h s LEU 71 N 0.02 4.23 -0.18 0.00 1.43 0.33 -1.09 118.68 123.42 3a0h s LEU 71 Ca -0.07 -1.67 -0.10 0.00 -1.03 0.00 0.00 54.13 51.26 3a0h s LEU 71 Cb -0.15 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3a0h s LEU 71 CO 0.05 -0.32 0.16 -1.58 0.23 0.00 0.00 176.35 174.89 3a0h s GLN 72 N 1.10 4.09 0.39 1.70 0.74 -0.40 -2.23 119.66 125.05 3a0h s GLN 72 Ca 0.00 -0.14 0.08 0.00 0.05 0.00 0.00 55.36 55.35 3a0h s GLN 72 Cb -0.20 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 3a0h s GLN 72 CO -0.05 0.36 0.19 -1.25 -0.55 0.00 0.00 175.29 174.00 3a0h s PRO 73 N 0.16 2.31 0.00 1.67 0.04 -1.26 -1.96 135.00 135.96 3a0h s PRO 73 Ca 0.11 -1.71 0.00 0.00 0.04 0.00 0.00 61.00 59.44 3a0h s PRO 73 Cb -0.12 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3a0h s PRO 73 CO 0.00 -0.05 0.00 -2.37 0.04 0.00 0.00 177.00 174.62 3a0h n THR 74 N -1.25 0.00 -3.76 1.26 5.66 0.26 -4.88 114.28 111.57 3a0h n THR 74 Ca -0.01 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.61 3a0h n THR 74 Cb 0.63 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.29 3a0h n THR 74 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3a0h s THR 75 N -1.00 3.66 -0.30 1.09 2.01 -0.38 -4.98 115.64 115.74 3a0h s THR 75 Ca 0.00 -1.32 -0.08 0.00 0.31 0.00 0.00 61.69 60.60 3a0h s THR 75 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.36 3a0h s THR 75 CO 0.00 -0.28 0.12 -0.36 -0.69 0.00 0.00 174.62 173.41 3a0h s PHE 76 N 1.35 3.16 -0.12 4.92 0.40 -1.26 -0.73 117.98 125.70 3a0h s PHE 76 Ca -0.00 -0.80 0.02 0.00 -0.60 0.00 0.00 56.93 55.55 3a0h s PHE 76 Cb -0.20 -2.30 -0.00 0.00 0.51 0.00 0.00 43.02 41.02 3a0h s PHE 76 CO 0.01 -0.52 -0.19 -0.51 0.70 0.00 0.00 175.22 174.70 3a0h s LEU 77 N 1.55 2.32 -0.38 -0.37 1.43 -0.46 -2.69 118.68 120.08 3a0h s LEU 77 Ca 0.03 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 3a0h s LEU 77 Cb -0.17 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3a0h s LEU 77 CO 0.04 0.13 0.25 -0.69 0.23 0.00 0.00 176.35 176.31 3a0h s VAL 78 N 0.52 4.97 -0.18 -1.59 1.01 -0.81 -0.79 120.40 123.53 3a0h s VAL 78 Ca -0.12 -0.67 -0.32 0.00 0.00 0.00 0.00 61.98 60.87 3a0h s VAL 78 Cb -0.17 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 3a0h s VAL 78 CO 0.05 -0.22 2.09 1.17 0.00 0.00 0.00 175.10 178.18 3a0h n LYS 79 N 5.08 1.91 -1.66 2.72 4.81 0.21 -2.89 118.16 128.34 3a0h n LYS 79 Ca -0.12 0.61 -0.44 0.00 -0.87 0.00 0.00 58.31 57.49 3a0h n LYS 79 Cb 0.47 -2.85 -0.04 0.00 0.02 0.00 0.00 35.03 32.64 3a0h n LYS 79 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3a0h n GLU 80 N 7.85 2.60 -1.53 1.64 2.13 0.54 -4.30 120.64 129.57 3a0h n GLU 80 Ca 0.29 0.94 -0.39 0.00 0.66 0.00 0.00 57.16 58.67 3a0h n GLU 80 Cb 0.34 -2.90 -0.07 0.00 0.27 0.00 0.00 31.44 29.09 3a0h n GLU 80 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3a0h n GLU 81 N 7.31 0.79 -1.92 5.31 -0.58 -1.26 -4.07 120.64 126.22 3a0h n GLU 81 Ca 0.21 0.03 -0.39 0.00 -0.42 0.00 0.00 57.16 56.60 3a0h n GLU 81 Cb 0.37 -2.85 0.02 0.00 -0.57 0.00 0.00 31.44 28.41 3a0h n GLU 81 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3a0h s PRO 82 N 8.27 3.52 1.15 3.49 0.02 -1.26 -4.98 135.00 145.22 3a0h s PRO 82 Ca 1.09 2.19 -0.17 0.00 0.02 0.00 0.00 61.00 64.13 3a0h s PRO 82 Cb -0.52 -2.47 0.26 0.00 0.02 0.00 0.00 34.50 31.79 3a0h s PRO 82 CO 0.34 -0.87 1.09 0.15 -0.33 0.00 0.00 177.00 177.38 3a0h s LYS 83 N -2.64 -0.83 0.36 5.54 1.02 -1.26 -4.82 119.74 117.11 3a0h s LYS 83 Ca 0.65 0.17 0.05 0.00 0.02 0.00 0.00 55.97 56.86 3a0h s LYS 83 Cb -0.39 -1.62 0.72 0.00 -0.52 0.00 0.00 37.83 36.02 3a0h s LYS 83 CO 0.48 -3.50 1.98 -0.97 -0.92 0.00 0.00 175.35 172.42 3a0h h ASN 84 N -2.43 0.67 -2.85 2.83 -0.73 -2.04 -3.40 115.58 107.63 3a0h h ASN 84 Ca -0.49 -0.00 -0.56 0.00 1.87 0.00 0.00 56.30 57.11 3a0h h ASN 84 Cb 1.31 -0.15 0.08 0.00 0.27 0.00 0.00 38.32 39.83 3a0h h ASN 84 CO 0.42 0.45 0.72 2.29 -0.37 0.00 0.00 177.43 180.95 3a0h n LYS 85 N -4.47 2.28 -0.50 6.67 -0.00 -1.26 -4.91 118.16 115.98 3a0h n LYS 85 Ca 0.09 0.81 -0.04 0.00 -0.00 0.00 0.00 58.31 59.18 3a0h n LYS 85 Cb 0.17 -2.53 0.01 0.00 -0.00 0.00 0.00 35.03 32.69 3a0h n LYS 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3a0h n ARG 86 N 2.21 1.19 -3.96 -1.58 3.00 -1.26 -4.91 116.66 111.35 3a0h n ARG 86 Ca 0.11 -0.39 -0.34 0.00 -0.00 0.00 0.00 57.85 57.23 3a0h n ARG 86 Cb 0.33 -1.15 -0.14 0.00 0.00 0.00 0.00 32.46 31.50 3a0h n ARG 86 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 3a0h s GLN 87 N -0.45 2.64 0.00 -0.14 -2.07 -1.26 -4.97 119.66 113.42 3a0h s GLN 87 Ca 0.08 -1.11 0.00 0.00 -1.82 0.00 0.00 55.36 52.51 3a0h s GLN 87 Cb 0.06 -3.03 0.00 0.00 -1.09 0.00 0.00 33.01 28.95 3a0h s GLN 87 CO 0.00 -0.48 0.00 -1.91 -1.32 0.00 0.00 175.29 171.58 3a0h n GLU 88 N 4.63 -0.47 -2.07 9.60 2.13 -1.26 -4.86 120.64 128.33 3a0h n GLU 88 Ca -0.15 0.45 -0.36 0.00 0.66 0.00 0.00 57.16 57.76 3a0h n GLU 88 Cb 0.45 -0.33 0.02 0.00 0.27 0.00 0.00 31.44 31.86 3a0h n GLU 88 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a0h s ALA 89 N 0.00 2.62 0.31 4.31 0.00 -1.26 -5.02 121.76 122.72 3a0h s ALA 89 Ca 0.00 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.01 3a0h s ALA 89 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3a0h s ALA 89 CO 0.00 -1.06 0.43 -1.21 0.00 0.00 0.00 175.76 173.91 3a0h s GLU 90 N -3.25 3.17 -0.64 0.00 0.41 -1.26 -4.96 118.70 112.17 3a0h s GLU 90 Ca 0.75 -0.97 0.05 0.00 -0.41 0.00 0.00 54.97 54.40 3a0h s GLU 90 Cb -0.30 -2.81 0.20 0.00 -1.78 0.00 0.00 34.13 29.44 3a0h s GLU 90 CO 0.33 0.16 0.56 1.19 -0.49 0.00 0.00 175.26 177.01 3a0h n PHE 91 N -1.56 2.72 -1.01 1.61 0.99 -1.26 0.20 117.46 119.14 3a0h n PHE 91 Ca -0.03 -4.12 -0.31 0.00 -0.00 0.00 0.00 57.45 53.00 3a0h n PHE 91 Cb 0.58 -0.49 0.14 0.00 -1.00 0.00 0.00 39.48 38.70 3a0h n PHE 91 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3a0h s VAL 92 N -1.59 2.68 0.01 -4.37 1.01 -1.14 -4.74 120.40 112.26 3a0h s VAL 92 Ca 0.31 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 3a0h s VAL 92 Cb 0.04 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 3a0h s VAL 92 CO -0.12 -0.29 0.25 -2.16 0.00 0.00 0.00 175.10 172.77 3a0h s PRO 93 N -4.80 3.54 0.21 2.72 0.04 -1.26 -1.92 135.00 133.53 3a0h s PRO 93 Ca 0.64 -0.14 0.10 0.00 0.04 0.00 0.00 61.00 61.64 3a0h s PRO 93 Cb -0.20 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 3a0h s PRO 93 CO 0.57 0.65 -0.20 0.95 0.04 0.00 0.00 177.00 179.02 3a0h s THR 94 N -1.31 2.13 -0.07 1.26 -4.23 -1.10 -4.50 115.64 107.82 3a0h s THR 94 Ca 0.28 -2.11 -0.16 0.00 -1.18 0.00 0.00 61.69 58.52 3a0h s THR 94 Cb -0.13 -2.06 -0.05 0.00 1.34 0.00 0.00 72.50 71.60 3a0h s THR 94 CO 0.17 -0.31 0.41 -0.54 -0.54 0.00 0.00 174.62 173.81 3a0h s LYS 95 N -3.04 4.13 0.36 3.99 1.02 -0.89 -4.75 119.74 120.56 3a0h s LYS 95 Ca 0.21 0.37 -0.26 0.00 0.02 0.00 0.00 55.97 56.32 3a0h s LYS 95 Cb -0.06 -3.33 -0.09 0.00 -0.52 0.00 0.00 37.83 33.83 3a0h s LYS 95 CO 0.10 0.42 1.05 -1.17 -0.92 0.00 0.00 175.35 174.82 3a0h s LEU 96 N -0.20 4.28 0.00 3.17 2.96 -1.26 0.33 118.68 127.96 3a0h s LEU 96 Ca 0.23 2.07 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 3a0h s LEU 96 Cb -0.15 -4.01 0.00 0.00 0.50 0.00 0.00 46.19 42.52 3a0h s LEU 96 CO 0.11 -0.34 0.00 0.52 -1.32 0.00 0.00 176.35 175.31 3a0h n VAL 97 N 0.35 0.00 -1.51 1.68 0.31 -1.17 -4.83 118.33 113.15 3a0h n VAL 97 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.95 3a0h n VAL 97 Cb 0.48 -0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 32.86 3a0h n VAL 97 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3a0h n THR 98 N -0.41 0.01 -1.67 2.52 -2.24 -1.26 -4.82 114.28 106.42 3a0h n THR 98 Ca 0.00 -0.41 -0.46 0.00 -2.27 0.00 0.00 64.05 60.91 3a0h n THR 98 Cb 0.00 -1.79 -0.04 0.00 -2.10 0.00 0.00 70.33 66.40 3a0h n THR 98 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3a0h n ARG 99 N 8.65 2.45 -0.20 -0.78 1.85 -1.26 -3.37 116.66 124.00 3a0h n ARG 99 Ca 0.47 0.90 0.00 0.00 -1.00 0.00 0.00 57.85 58.22 3a0h n ARG 99 Cb 0.31 -2.78 0.00 0.00 -1.05 0.00 0.00 32.46 28.93 3a0h n ARG 99 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3a0h n GLU 100 N 6.79 0.00 0.00 2.89 -0.58 -1.26 -4.76 120.64 123.71 3a0h n GLU 100 Ca 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 3a0h n GLU 100 Cb 0.34 -4.10 0.00 0.00 -0.57 0.00 0.00 31.44 27.11 3a0h n GLU 100 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3a0h n THR 101 N -2.00 0.00 -0.09 2.62 -2.24 -1.22 -4.14 114.28 107.21 3a0h n THR 101 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3a0h n THR 101 Cb 0.00 -0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 67.85 3a0h n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a0h h THR 102 N 0.00 0.69 -4.09 4.28 1.03 -1.86 -3.41 112.91 109.55 3a0h h THR 102 Ca 0.00 -1.84 -0.51 0.00 -0.01 0.00 0.00 66.41 64.05 3a0h h THR 102 Cb 0.26 1.62 0.20 0.00 -1.07 0.00 0.00 68.15 69.16 3a0h h THR 102 CO 0.00 0.23 0.11 -0.24 -0.01 0.00 0.00 175.52 175.61 3a0h n SER 103 N -4.50 -0.08 -3.82 0.00 2.88 -1.26 -4.66 113.62 102.18 3a0h n SER 103 Ca -0.23 0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 3a0h n SER 103 Cb 0.54 -1.43 -0.14 0.00 -0.75 0.00 0.00 64.21 62.42 3a0h n SER 103 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 3a0h s LEU 104 N -6.07 1.49 0.00 2.46 0.05 -0.95 -4.81 118.68 110.85 3a0h s LEU 104 Ca 0.66 0.10 0.00 0.00 0.05 0.00 0.00 54.13 54.94 3a0h s LEU 104 Cb -0.23 0.11 0.00 0.00 -2.05 0.00 0.00 46.19 44.02 3a0h s LEU 104 CO 0.60 -0.06 0.00 -0.90 -0.55 0.00 0.00 176.35 175.43 3a0h n ASP 105 N 3.51 0.00 -1.16 1.48 5.68 -0.98 -0.51 116.55 124.57 3a0h n ASP 105 Ca -0.18 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 53.99 3a0h n ASP 105 Cb 0.56 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.52 3a0h n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a0h n GLN 106 N 0.00 -0.88 -3.15 0.11 1.13 -1.24 -2.64 117.38 110.71 3a0h n GLN 106 Ca 0.00 0.70 -0.39 0.00 -1.94 0.00 0.00 57.00 55.37 3a0h n GLN 106 Cb 0.00 -4.79 -0.05 0.00 0.11 0.00 0.00 30.24 25.51 3a0h n GLN 106 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a0h s ILE 107 N -2.52 5.00 0.06 5.09 1.01 -1.19 -3.86 121.20 124.79 3a0h s ILE 107 Ca 0.00 1.29 0.02 0.00 0.00 0.00 0.00 60.65 61.96 3a0h s ILE 107 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 3a0h s ILE 107 CO 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 174.94 175.21 3a0h s GLN 108 N 0.33 0.63 0.00 2.79 -2.07 -0.95 0.58 119.66 120.98 3a0h s GLN 108 Ca 0.33 -0.98 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 3a0h s GLN 108 Cb -0.18 -0.22 0.00 0.00 -1.09 0.00 0.00 33.01 31.53 3a0h s GLN 108 CO 0.17 0.01 0.00 0.41 -1.32 0.00 0.00 175.29 174.56 3a0h n GLY 109 N 0.85 1.19 3.71 2.60 0.00 -1.24 -1.52 105.19 110.79 3a0h n GLY 109 Ca -0.19 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 3a0h n GLY 109 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3a0h n GLU 110 N -0.05 2.35 -3.46 1.61 0.28 -1.17 -1.77 120.64 118.44 3a0h n GLU 110 Ca 0.00 0.84 -0.43 0.00 -0.16 0.00 0.00 57.16 57.40 3a0h n GLU 110 Cb 0.00 -2.53 -0.06 0.00 1.43 0.00 0.00 31.44 30.27 3a0h n GLU 110 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3a0h s LEU 111 N -0.44 6.04 0.45 -1.84 2.96 -0.73 -1.73 118.68 123.39 3a0h s LEU 111 Ca 0.64 -2.20 -0.24 0.00 -0.22 0.00 0.00 54.13 52.10 3a0h s LEU 111 Cb -0.56 -2.09 -0.07 0.00 0.50 0.00 0.00 46.19 43.96 3a0h s LEU 111 CO 0.52 -0.66 1.28 -0.54 -1.32 0.00 0.00 176.35 175.63 3a0h s LYS 112 N 0.93 3.71 -0.63 1.98 1.02 0.28 -4.62 119.74 122.41 3a0h s LYS 112 Ca 0.10 2.08 0.06 0.00 0.02 0.00 0.00 55.97 58.22 3a0h s LYS 112 Cb -0.22 -2.54 0.24 0.00 -0.52 0.00 0.00 37.83 34.79 3a0h s LYS 112 CO -0.02 -0.68 0.71 0.28 -0.92 0.00 0.00 175.35 174.72 3a0h n VAL 113 N -0.32 2.10 -1.70 3.17 0.31 -1.26 -0.88 118.33 119.75 3a0h n VAL 113 Ca 0.06 -5.11 -0.30 0.00 -0.01 0.00 0.00 64.34 58.98 3a0h n VAL 113 Cb 0.45 -2.10 0.08 0.00 -0.91 0.00 0.00 33.84 31.36 3a0h n VAL 113 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3a0h s ASN 114 N -2.31 4.80 0.77 4.52 2.20 -1.14 -4.87 114.94 118.91 3a0h s ASN 114 Ca 0.38 1.18 -0.13 0.00 -0.94 0.00 0.00 52.86 53.35 3a0h s ASN 114 Cb 0.14 -1.91 -0.12 0.00 -2.00 0.00 0.00 41.25 37.36 3a0h s ASN 114 CO -0.03 -1.76 -0.62 -1.54 -2.94 0.00 0.00 177.10 170.21 3a0h n SER 115 N -3.28 -4.70 -0.60 3.54 3.41 -1.26 -2.52 113.62 108.21 3a0h n SER 115 Ca 0.07 0.15 -0.08 0.00 -0.26 0.00 0.00 58.87 58.75 3a0h n SER 115 Cb 0.57 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 3a0h n SER 115 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3a0h n ASP 116 N 2.72 -5.03 -3.86 4.04 5.75 -1.26 -3.85 116.55 115.06 3a0h n ASP 116 Ca -0.01 0.20 -0.38 0.00 -0.01 0.00 0.00 54.79 54.58 3a0h n ASP 116 Cb 0.44 -3.22 0.03 0.00 -1.03 0.00 0.00 41.12 37.34 3a0h n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a0h n GLY 117 N -0.59 -0.91 3.35 6.12 0.00 -1.05 0.22 105.19 112.34 3a0h n GLY 117 Ca -0.08 0.40 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 3a0h n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a0h s SER 118 N -3.52 2.87 -0.13 1.61 1.04 -1.17 0.34 113.70 114.75 3a0h s SER 118 Ca 0.47 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 3a0h s SER 118 Cb -0.21 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 3a0h s SER 118 CO 0.91 0.03 0.01 -0.76 0.98 0.00 0.00 173.24 174.40 3a0h s LEU 119 N -2.53 3.57 -0.11 2.42 1.43 -1.26 -2.90 118.68 119.30 3a0h s LEU 119 Ca 0.16 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3a0h s LEU 119 Cb -0.07 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3a0h s LEU 119 CO 0.07 0.28 -0.22 -0.89 0.23 0.00 0.00 176.35 175.82 3a0h s THR 120 N -0.28 1.96 -0.25 5.49 2.01 -0.06 -1.60 115.64 122.92 3a0h s THR 120 Ca 0.06 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 3a0h s THR 120 Cb -0.12 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 3a0h s THR 120 CO 0.02 0.54 0.04 0.12 -0.69 0.00 0.00 174.62 174.65 3a0h s PHE 121 N 0.50 3.06 -0.38 4.92 5.36 0.38 0.99 117.98 132.82 3a0h s PHE 121 Ca -0.16 -0.65 -0.08 0.00 -0.96 0.00 0.00 56.93 55.08 3a0h s PHE 121 Cb -0.17 -2.21 0.05 0.00 -0.34 0.00 0.00 43.02 40.36 3a0h s PHE 121 CO 0.06 -0.45 0.19 0.08 -1.46 0.00 0.00 175.22 173.64 3a0h s VAL 122 N 1.56 4.11 0.18 3.12 1.01 -0.70 -1.66 120.40 128.02 3a0h s VAL 122 Ca 0.06 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 3a0h s VAL 122 Cb -0.15 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 3a0h s VAL 122 CO 0.02 -0.33 1.32 -0.70 0.00 0.00 0.00 175.10 175.41 3a0h s GLU 123 N 1.44 4.38 -0.22 2.72 -6.30 -0.07 -3.04 118.70 117.60 3a0h s GLU 123 Ca 0.01 2.05 0.09 0.00 -2.50 0.00 0.00 54.97 54.62 3a0h s GLU 123 Cb -0.21 -3.21 -0.20 0.00 0.00 0.00 0.00 34.13 30.52 3a0h s GLU 123 CO 0.03 -0.28 -0.09 -0.85 0.02 0.00 0.00 175.26 174.09 3a0h n GLU 124 N 2.90 0.73 -3.63 4.30 0.28 -0.57 -4.56 120.64 120.08 3a0h n GLU 124 Ca 0.07 0.07 -0.00 0.00 -0.16 0.00 0.00 57.16 57.14 3a0h n GLU 124 Cb 0.43 -1.49 0.02 0.00 1.43 0.00 0.00 31.44 31.82 3a0h n GLU 124 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3a0h n ASP 125 N -2.99 -1.30 0.00 -1.84 -0.08 -1.23 -5.02 116.55 104.09 3a0h n ASP 125 Ca -0.38 -1.53 0.00 0.00 -1.51 0.00 0.00 54.79 51.37 3a0h n ASP 125 Cb 1.04 2.07 0.00 0.00 2.34 0.00 0.00 41.12 46.57 3a0h n ASP 125 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3a0h n GLY 126 N -0.71 3.41 3.62 0.27 0.00 -1.26 -2.24 105.19 108.28 3a0h n GLY 126 Ca 0.01 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 3a0h n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a0h s ILE 127 N -2.24 3.90 0.00 -0.61 1.01 -1.08 -4.75 121.20 117.42 3a0h s ILE 127 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3a0h s ILE 127 Cb 0.00 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.50 3a0h s ILE 127 CO 0.00 -0.46 0.06 -0.90 0.00 0.00 0.00 174.94 173.65 3a0h n ASP 128 N 8.29 0.00 -3.12 3.58 5.68 -1.26 -2.31 116.55 127.41 3a0h n ASP 128 Ca 0.17 -1.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.15 3a0h n ASP 128 Cb 0.46 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.42 3a0h n ASP 128 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3a0h n PHE 129 N 0.00 3.74 -2.46 2.11 -0.00 -1.26 -3.12 117.46 116.47 3a0h n PHE 129 Ca 0.00 -3.64 -0.42 0.00 -0.00 0.00 0.00 57.45 53.38 3a0h n PHE 129 Cb 0.29 -0.67 -0.03 0.00 -0.00 0.00 0.00 39.48 39.08 3a0h n PHE 129 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3a0h s GLN 130 N -3.69 4.35 -0.30 3.97 1.11 -0.84 -4.87 119.66 119.40 3a0h s GLN 130 Ca 0.46 1.67 -0.22 0.00 0.01 0.00 0.00 55.36 57.28 3a0h s GLN 130 Cb 0.26 -3.55 -0.00 0.00 -1.01 0.00 0.00 33.01 28.70 3a0h s GLN 130 CO -0.14 -0.44 0.74 -1.25 0.01 0.00 0.00 175.29 174.21 3a0h s PRO 131 N 2.19 3.96 0.17 2.91 0.04 -1.26 -2.19 135.00 140.81 3a0h s PRO 131 Ca 0.56 0.51 0.10 0.00 0.04 0.00 0.00 61.00 62.21 3a0h s PRO 131 Cb -0.25 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 3a0h s PRO 131 CO 0.22 -0.63 -0.21 0.14 0.04 0.00 0.00 177.00 176.55 3a0h s VAL 132 N 2.83 2.06 -0.20 -0.36 -7.23 -1.03 -4.88 120.40 111.59 3a0h s VAL 132 Ca 0.30 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 3a0h s VAL 132 Cb -0.14 -1.94 0.06 0.00 0.56 0.00 0.00 36.38 34.91 3a0h s VAL 132 CO 0.12 -0.19 0.05 -0.89 -0.31 0.00 0.00 175.10 173.88 3a0h s THR 133 N -1.76 0.44 0.15 5.32 2.01 -1.26 -1.42 115.64 119.12 3a0h s THR 133 Ca 0.17 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 3a0h s THR 133 Cb -0.07 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 3a0h s THR 133 CO 0.08 -0.25 0.32 0.68 -0.69 0.00 0.00 174.62 174.76 3a0h s VAL 134 N 1.89 5.26 -0.34 3.82 -7.23 -0.10 -3.06 120.40 120.64 3a0h s VAL 134 Ca 0.00 -0.35 -0.14 0.00 -1.81 0.00 0.00 61.98 59.68 3a0h s VAL 134 Cb -0.17 -3.69 -0.01 0.00 0.56 0.00 0.00 36.38 33.07 3a0h s VAL 134 CO -0.09 -0.04 0.32 -1.58 -0.31 0.00 0.00 175.10 173.40 3a0h s GLN 135 N -2.97 3.52 1.28 4.82 0.74 0.15 -1.05 119.66 126.15 3a0h s GLN 135 Ca 0.37 -0.52 -0.19 0.00 0.05 0.00 0.00 55.36 55.08 3a0h s GLN 135 Cb -0.12 -3.81 0.29 0.00 1.10 0.00 0.00 33.01 30.47 3a0h s GLN 135 CO 0.28 -0.51 0.69 -1.33 -0.55 0.00 0.00 175.29 173.87 3a0h n MET 136 N 5.28 -3.53 0.06 1.67 2.81 0.49 -2.10 117.12 121.81 3a0h n MET 136 Ca -0.10 -1.04 -0.11 0.00 -1.81 0.00 0.00 57.70 54.64 3a0h n MET 136 Cb 0.49 -1.85 -0.07 0.00 -0.71 0.00 0.00 33.22 31.09 3a0h n MET 136 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3a0h h ALA 137 N -3.10 -0.83 -3.00 3.04 0.00 -1.88 -3.39 119.26 110.10 3a0h h ALA 137 Ca -0.43 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3a0h h ALA 137 Cb 1.21 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3a0h h ALA 137 CO 0.29 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 179.03 3a0h n GLY 138 N -1.32 -3.13 0.09 0.00 0.00 -1.26 -4.85 105.19 94.71 3a0h n GLY 138 Ca -0.05 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.56 3a0h n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a0h n GLY 139 N 0.00 -0.63 3.44 -0.02 0.00 -1.26 -5.05 105.19 101.66 3a0h n GLY 139 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3a0h n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a0h n GLU 140 N -0.19 0.49 -3.83 1.61 1.02 -1.26 -4.69 120.64 113.79 3a0h n GLU 140 Ca 0.01 0.18 -0.35 0.00 -0.02 0.00 0.00 57.16 56.98 3a0h n GLU 140 Cb 0.07 -1.39 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 3a0h n GLU 140 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3a0h s ARG 141 N -1.39 1.94 -0.25 3.49 0.52 -1.26 -0.38 118.95 121.62 3a0h s ARG 141 Ca 0.62 -1.78 -0.09 0.00 -0.52 0.00 0.00 55.73 53.96 3a0h s ARG 141 Cb -0.68 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.27 3a0h s ARG 141 CO 0.59 -1.01 0.13 -1.50 0.02 0.00 0.00 175.30 173.54 3a0h s ILE 142 N 1.11 5.02 -0.13 1.52 1.10 -0.22 -4.96 121.20 124.63 3a0h s ILE 142 Ca 0.08 0.06 -0.02 0.00 -0.51 0.00 0.00 60.65 60.26 3a0h s ILE 142 Cb -0.22 -3.35 -0.02 0.00 0.15 0.00 0.00 42.46 39.02 3a0h s ILE 142 CO -0.05 0.33 -0.07 -2.16 -2.11 0.00 0.00 174.94 170.88 3a0h s PRO 143 N 1.32 3.43 0.30 3.50 0.05 -1.26 -0.93 135.00 141.40 3a0h s PRO 143 Ca 0.06 -0.57 0.03 0.00 0.05 0.00 0.00 61.00 60.57 3a0h s PRO 143 Cb -0.15 -2.78 -0.06 0.00 0.05 0.00 0.00 34.50 31.57 3a0h s PRO 143 CO 0.06 0.31 0.08 -0.48 0.05 0.00 0.00 177.00 177.02 3a0h s LEU 144 N 0.14 1.90 -0.83 -3.56 2.34 -0.51 -1.42 118.68 116.74 3a0h s LEU 144 Ca -0.03 -1.40 0.01 0.00 0.06 0.00 0.00 54.13 52.77 3a0h s LEU 144 Cb -0.14 -0.16 0.23 0.00 -0.56 0.00 0.00 46.19 45.55 3a0h s LEU 144 CO 0.03 -0.69 0.80 -0.11 -1.06 0.00 0.00 176.35 175.33 3a0h n LEU 145 N -0.59 4.14 -4.44 1.48 7.94 -1.26 -2.47 117.00 121.80 3a0h n LEU 145 Ca -0.01 -5.23 -0.58 0.00 -1.11 0.00 0.00 56.01 49.07 3a0h n LEU 145 Cb 0.66 -0.96 -0.10 0.00 0.53 0.00 0.00 43.42 43.56 3a0h n LEU 145 CO 0.40 1.73 1.61 0.33 -1.11 0.00 0.00 177.39 180.34 3a0h n PHE 146 N 1.78 1.50 -3.54 1.96 -0.00 -0.93 -4.81 117.46 113.42 3a0h n PHE 146 Ca 0.24 0.65 -0.16 0.00 -0.00 0.00 0.00 57.45 58.18 3a0h n PHE 146 Cb 0.37 -2.37 -0.06 0.00 -0.00 0.00 0.00 39.48 37.42 3a0h n PHE 146 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 3a0h s THR 147 N 5.56 0.01 -0.41 -2.13 -1.32 -1.25 -1.98 115.64 114.12 3a0h s THR 147 Ca 1.12 -0.08 0.11 0.00 -1.21 0.00 0.00 61.69 61.63 3a0h s THR 147 Cb -1.26 -0.96 0.41 0.00 -1.51 0.00 0.00 72.50 69.17 3a0h s THR 147 CO 0.64 -0.04 0.95 0.55 -2.21 0.00 0.00 174.62 174.51 3a0h n VAL 148 N 0.73 1.52 -2.83 5.08 3.14 -1.18 -4.92 118.33 119.86 3a0h n VAL 148 Ca -0.19 -4.33 -0.30 0.00 -2.96 0.00 0.00 64.34 56.56 3a0h n VAL 148 Cb 0.58 -0.43 -0.03 0.00 -1.06 0.00 0.00 33.84 32.91 3a0h n VAL 148 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3a0h s LYS 149 N -3.17 3.73 -1.24 1.45 1.02 -1.26 -3.92 119.74 116.35 3a0h s LYS 149 Ca 0.39 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.79 3a0h s LYS 149 Cb 0.39 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3a0h s LYS 149 CO -0.08 -0.06 0.00 0.09 -0.92 0.00 0.00 175.35 174.38 3a0h n ASN 150 N -1.44 -4.24 -4.74 2.83 3.02 -1.26 -3.00 115.26 106.43 3a0h n ASN 150 Ca 0.02 0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 54.33 3a0h n ASN 150 Cb 0.54 -3.62 -0.03 0.00 -0.61 0.00 0.00 39.78 36.06 3a0h n ASN 150 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3a0h s LEU 151 N -5.46 4.39 -0.37 3.41 2.96 -1.25 -4.77 118.68 117.59 3a0h s LEU 151 Ca 0.00 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 56.49 3a0h s LEU 151 Cb 0.00 -3.62 0.12 0.00 0.50 0.00 0.00 46.19 43.20 3a0h s LEU 151 CO 0.00 -0.66 0.18 0.54 -1.32 0.00 0.00 176.35 175.09 3a0h s VAL 152 N 0.14 0.87 -0.09 1.68 0.11 -1.23 -0.89 120.40 120.99 3a0h s VAL 152 Ca 0.59 -1.89 -0.02 0.00 -2.93 0.00 0.00 61.98 57.73 3a0h s VAL 152 Cb -0.40 -1.64 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 3a0h s VAL 152 CO 0.41 -0.83 0.02 0.00 -3.33 0.00 0.00 175.10 171.36 3a0h s ALA 153 N 1.03 3.35 0.24 1.54 0.00 -0.67 -3.29 121.76 123.97 3a0h s ALA 153 Ca 0.15 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3a0h s ALA 153 Cb -0.21 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 3a0h s ALA 153 CO -0.10 0.59 0.04 -1.12 0.00 0.00 0.00 175.76 175.17 3a0h s SER 154 N -0.92 1.60 0.10 0.00 0.01 -0.71 0.15 113.70 113.92 3a0h s SER 154 Ca 0.14 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.11 3a0h s SER 154 Cb -0.11 0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 3a0h s SER 154 CO 0.03 -0.61 0.01 0.35 0.41 0.00 0.00 173.24 173.43 3a0h n THR 155 N -0.44 0.00 -1.19 1.44 -2.24 -0.63 -0.34 114.28 110.89 3a0h n THR 155 Ca -0.03 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 3a0h n THR 155 Cb 0.65 0.13 0.11 0.00 -2.10 0.00 0.00 70.33 69.12 3a0h n THR 155 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3a0h s GLN 156 N -2.35 1.84 0.75 -0.78 -1.52 -1.25 -4.60 119.66 111.75 3a0h s GLN 156 Ca 0.02 1.56 -0.09 0.00 -1.95 0.00 0.00 55.36 54.89 3a0h s GLN 156 Cb 0.00 -1.82 0.07 0.00 -0.22 0.00 0.00 33.01 31.04 3a0h s GLN 156 CO 0.01 -2.02 1.09 -2.14 -0.25 0.00 0.00 175.29 171.98 3a0h s PRO 157 N -4.34 2.12 -1.47 2.91 0.02 -1.26 -4.32 135.00 128.67 3a0h s PRO 157 Ca 0.69 -0.06 -0.09 0.00 0.02 0.00 0.00 61.00 61.56 3a0h s PRO 157 Cb -0.24 -2.07 0.06 0.00 0.02 0.00 0.00 34.50 32.27 3a0h s PRO 157 CO 0.51 -1.39 0.84 0.09 -0.33 0.00 0.00 177.00 176.73 3a0h n ASN 158 N -3.10 -3.27 -4.20 2.53 4.13 0.59 -4.88 115.26 107.06 3a0h n ASN 158 Ca 0.08 -0.83 -0.34 0.00 1.68 0.00 0.00 54.58 55.17 3a0h n ASN 158 Cb 0.61 -3.79 -0.15 0.00 -1.54 0.00 0.00 39.78 34.91 3a0h n ASN 158 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3a0h s VAL 159 N -3.46 2.79 -1.50 2.41 0.11 0.15 -4.93 120.40 115.97 3a0h s VAL 159 Ca 0.42 -0.98 0.15 0.00 -2.93 0.00 0.00 61.98 58.64 3a0h s VAL 159 Cb -0.21 -2.38 0.03 0.00 -1.53 0.00 0.00 36.38 32.29 3a0h s VAL 159 CO 0.84 0.26 0.85 0.41 -3.33 0.00 0.00 175.10 174.13 3a0h n THR 160 N 4.67 0.00 -3.71 5.04 -1.04 -1.26 -4.57 114.28 113.40 3a0h n THR 160 Ca -0.17 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.05 61.34 3a0h n THR 160 Cb 0.48 1.21 -0.11 0.00 -1.82 0.00 0.00 70.33 70.09 3a0h n THR 160 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3a0h s SER 161 N -1.64 -0.42 -0.26 8.00 0.01 -1.26 -0.13 113.70 117.99 3a0h s SER 161 Ca 0.14 0.76 -0.27 0.00 1.31 0.00 0.00 55.95 57.88 3a0h s SER 161 Cb 0.12 0.66 0.01 0.00 0.21 0.00 0.00 66.02 67.02 3a0h s SER 161 CO 0.32 -0.17 0.98 -0.63 0.41 0.00 0.00 173.24 174.14 3a0h s ILE 162 N 1.15 4.69 0.32 1.44 1.01 -1.10 -4.79 121.20 123.92 3a0h s ILE 162 Ca -0.08 1.77 -0.06 0.00 0.00 0.00 0.00 60.65 62.28 3a0h s ILE 162 Cb -0.08 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.12 3a0h s ILE 162 CO -0.09 -0.23 0.50 0.28 0.00 0.00 0.00 174.94 175.39 3a0h s THR 163 N 3.20 0.00 0.58 2.92 -1.32 -1.26 -1.86 115.64 117.90 3a0h s THR 163 Ca 0.41 -1.51 0.06 0.00 -1.21 0.00 0.00 61.69 59.44 3a0h s THR 163 Cb -0.14 -2.56 0.06 0.00 -1.51 0.00 0.00 72.50 68.34 3a0h s THR 163 CO 0.09 0.00 1.14 0.74 -2.21 0.00 0.00 174.62 174.38 3a0h h THR 164 N 2.15 0.00 0.18 5.08 2.02 -1.84 0.71 112.91 121.21 3a0h h THR 164 Ca -0.28 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3a0h h THR 164 Cb 1.24 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3a0h h THR 164 CO 0.39 0.00 -0.09 0.28 0.37 0.00 0.00 175.52 176.47 3a0h h SER 165 N 0.00 -0.21 -1.42 4.18 0.02 -1.94 -3.41 113.55 110.77 3a0h h SER 165 Ca 0.00 0.01 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 3a0h h SER 165 Cb 1.62 0.05 0.17 0.00 0.14 0.00 0.00 62.40 64.38 3a0h h SER 165 CO 0.00 -0.02 -1.28 0.41 -1.14 0.00 0.00 176.83 174.80 3a0h n THR 166 N -3.35 0.00 -3.48 -2.27 -1.04 0.24 -4.82 114.28 99.56 3a0h n THR 166 Ca -0.03 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.05 61.53 3a0h n THR 166 Cb 0.10 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.59 3a0h n THR 166 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3a0h s ASP 167 N -0.71 -0.44 -0.06 8.00 -4.77 -1.26 -3.38 116.67 114.05 3a0h s ASP 167 Ca 0.29 -0.02 0.02 0.00 -3.30 0.00 0.00 52.55 49.54 3a0h s ASP 167 Cb -0.15 0.48 0.02 0.00 -1.09 0.00 0.00 42.92 42.18 3a0h s ASP 167 CO 0.58 -0.79 -0.09 -0.36 0.70 0.00 0.00 175.17 175.21 3a0h s PHE 168 N -3.40 1.16 0.01 2.11 0.40 0.94 -3.74 117.98 115.46 3a0h s PHE 168 Ca 0.04 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 3a0h s PHE 168 Cb -0.01 -0.90 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 3a0h s PHE 168 CO -0.10 -0.25 -0.08 0.15 0.70 0.00 0.00 175.22 175.64 3a0h s LYS 169 N 0.81 0.62 -0.00 0.44 1.02 0.54 0.27 119.74 123.44 3a0h s LYS 169 Ca -0.12 -0.46 -0.10 0.00 0.02 0.00 0.00 55.97 55.30 3a0h s LYS 169 Cb -0.15 -0.55 0.03 0.00 -0.52 0.00 0.00 37.83 36.64 3a0h s LYS 169 CO 0.02 0.14 0.46 0.41 -0.92 0.00 0.00 175.35 175.46 3a0h n GLY 170 N 2.37 0.52 4.02 -3.33 0.00 -1.25 -1.73 105.19 105.80 3a0h n GLY 170 Ca -0.16 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 3a0h n GLY 170 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a0h s GLU 171 N -2.01 2.53 0.00 1.61 2.02 -1.21 -3.01 118.70 118.64 3a0h s GLU 171 Ca 0.11 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.67 3a0h s GLU 171 Cb -0.00 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.54 3a0h s GLU 171 CO -0.00 -0.61 0.00 1.19 0.02 0.00 0.00 175.26 175.86 3a0h n PHE 172 N -2.09 0.00 -3.27 1.61 0.99 -1.26 -3.55 117.46 109.89 3a0h n PHE 172 Ca 0.12 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.60 3a0h n PHE 172 Cb 0.60 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 39.05 3a0h n PHE 172 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3a0h s ASN 173 N 1.00 -0.31 -0.22 4.37 0.02 -1.16 -4.50 114.94 114.13 3a0h s ASN 173 Ca 0.00 0.41 0.00 0.00 -1.02 0.00 0.00 52.86 52.25 3a0h s ASN 173 Cb 0.00 1.35 0.06 0.00 0.02 0.00 0.00 41.25 42.68 3a0h s ASN 173 CO 0.00 -0.06 -0.05 -0.69 0.02 0.00 0.00 177.10 176.32 3a0h s VAL 174 N 2.30 1.41 0.00 1.60 1.01 0.99 -4.32 120.40 123.39 3a0h s VAL 174 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.87 3a0h s VAL 174 Cb -0.04 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3a0h s VAL 174 CO -0.16 -0.08 0.00 -0.81 0.00 0.00 0.00 175.10 174.05 3a0h n PRO 175 N 4.72 0.00 -3.57 2.72 -0.04 -1.26 -1.66 135.00 135.91 3a0h n PRO 175 Ca -0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.21 3a0h n PRO 175 Cb 0.45 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.86 3a0h n PRO 175 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3a0h s SER 176 N -1.44 -0.42 0.16 3.54 1.04 -1.26 -4.25 113.70 111.07 3a0h s SER 176 Ca 0.00 0.08 -0.30 0.00 0.48 0.00 0.00 55.95 56.20 3a0h s SER 176 Cb 0.00 0.50 -0.06 0.00 0.10 0.00 0.00 66.02 66.56 3a0h s SER 176 CO 0.00 -0.77 1.54 0.22 0.98 0.00 0.00 173.24 175.21 3a0h h TYR 177 N 2.63 -1.82 -3.20 5.02 3.20 -1.95 -3.41 116.97 117.45 3a0h h TYR 177 Ca -0.32 0.12 -0.51 0.00 3.14 0.00 0.00 58.73 61.16 3a0h h TYR 177 Cb 1.23 0.91 -0.01 0.00 1.54 0.00 0.00 36.73 40.41 3a0h h TYR 177 CO 0.34 -0.39 -0.13 1.03 -1.64 0.00 0.00 178.16 177.37 3a0h s ARG 178 N -5.55 3.62 0.00 1.82 1.81 -1.26 -5.05 118.95 114.34 3a0h s ARG 178 Ca -0.12 -0.01 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 3a0h s ARG 178 Cb 0.11 -2.63 0.00 0.00 -0.45 0.00 0.00 34.95 31.98 3a0h s ARG 178 CO 0.63 0.18 0.00 2.41 -0.68 0.00 0.00 175.30 177.84 3a0h n THR 179 N -1.09 0.00 -0.07 0.02 -1.04 -1.26 -4.98 114.28 105.85 3a0h n THR 179 Ca -0.02 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.77 3a0h n THR 179 Cb 0.54 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.93 3a0h n THR 179 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a0h n ALA 180 N -3.00 0.96 -1.94 2.41 0.00 -1.26 -4.88 120.51 112.81 3a0h n ALA 180 Ca 0.00 -0.69 -0.28 0.00 0.00 0.00 0.00 53.44 52.47 3a0h n ALA 180 Cb 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 19.45 19.06 3a0h n ALA 180 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3a0h s ASN 181 N -6.98 5.19 0.00 0.00 -0.87 -1.26 -2.16 114.94 108.86 3a0h s ASN 181 Ca -0.29 0.87 0.00 0.00 -1.57 0.00 0.00 52.86 51.87 3a0h s ASN 181 Cb 0.08 -1.62 0.00 0.00 -0.02 0.00 0.00 41.25 39.69 3a0h s ASN 181 CO 0.64 -1.44 0.00 0.33 -2.57 0.00 0.00 177.10 174.06 3a0h n PHE 182 N -2.97 0.00 -3.82 2.20 7.35 -1.26 -4.92 117.46 114.04 3a0h n PHE 182 Ca 0.07 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.39 3a0h n PHE 182 Cb 0.59 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.29 3a0h n PHE 182 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3a0h s LEU 183 N 0.00 3.92 0.55 -2.13 1.02 -1.26 -4.11 118.68 116.67 3a0h s LEU 183 Ca 0.00 -1.00 -0.20 0.00 0.02 0.00 0.00 54.13 52.95 3a0h s LEU 183 Cb 0.00 -1.81 -0.05 0.00 0.02 0.00 0.00 46.19 44.35 3a0h s LEU 183 CO 0.00 -0.24 1.20 1.51 0.02 0.00 0.00 176.35 178.83 3a0h s ASP 184 N 1.39 5.52 0.77 2.29 1.47 -0.99 -4.82 116.67 122.31 3a0h s ASP 184 Ca -0.01 2.36 -0.17 0.00 1.18 0.00 0.00 52.55 55.92 3a0h s ASP 184 Cb -0.18 -2.60 -0.12 0.00 -0.34 0.00 0.00 42.92 39.68 3a0h s ASP 184 CO 0.01 -1.36 -0.23 -0.81 0.68 0.00 0.00 175.17 173.45 3a0h n PRO 185 N -1.23 0.04 -1.02 2.11 -0.04 -1.26 -1.59 135.00 132.01 3a0h n PRO 185 Ca 0.12 0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 3a0h n PRO 185 Cb 0.49 -1.22 -0.00 0.00 -0.04 0.00 0.00 33.50 32.73 3a0h n PRO 185 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3a0h n LYS 186 N 1.25 -0.18 0.00 0.54 3.00 -1.26 -4.29 118.16 117.23 3a0h n LYS 186 Ca 0.04 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 3a0h n LYS 186 Cb 0.52 -3.46 0.00 0.00 0.00 0.00 0.00 35.03 32.09 3a0h n LYS 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3a0h n GLY 187 N -2.65 2.59 3.36 3.14 0.00 -0.62 -4.86 105.19 106.15 3a0h n GLY 187 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3a0h n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a0h n ARG 188 N -1.92 -2.04 0.00 1.61 1.74 -1.22 0.18 116.66 115.01 3a0h n ARG 188 Ca 0.00 -0.57 0.00 0.00 -0.77 0.00 0.00 57.85 56.51 3a0h n ARG 188 Cb 0.00 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 3a0h n ARG 188 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a0h n GLY 189 N 1.57 -0.01 0.02 -0.13 0.00 -1.24 -2.34 105.19 103.07 3a0h n GLY 189 Ca 0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 3a0h n GLY 189 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a0h n LEU 190 N 0.00 0.59 -1.76 0.99 0.00 -1.26 -4.51 117.00 111.06 3a0h n LEU 190 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 56.01 56.33 3a0h n LEU 190 Cb 0.00 -0.61 0.34 0.00 0.00 0.00 0.00 43.42 43.15 3a0h n LEU 190 CO 0.00 -0.47 0.84 0.00 0.00 0.00 0.00 177.39 177.76 3a0h n ALA 191 N -2.84 3.87 0.00 1.96 0.00 -0.92 -4.90 120.51 117.68 3a0h n ALA 191 Ca -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.65 3a0h n ALA 191 Cb 0.11 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3a0h n ALA 191 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3a0h n SER 192 N 0.41 0.00 0.00 0.00 2.88 -1.26 -4.85 113.62 110.79 3a0h n SER 192 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 3a0h n SER 192 Cb 1.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 3a0h n SER 192 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a0h n GLY 193 N 0.00 -0.94 0.16 0.46 0.00 -1.26 -3.61 105.19 100.00 3a0h n GLY 193 Ca 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.57 3a0h n GLY 193 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a0h n TYR 194 N -0.22 0.13 0.00 1.61 4.01 0.47 -4.49 117.16 118.67 3a0h n TYR 194 Ca 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 3a0h n TYR 194 Cb 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 3a0h n TYR 194 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3a0h n ASP 195 N -1.83 0.00 -1.20 7.72 -0.08 -1.26 -4.92 116.55 114.98 3a0h n ASP 195 Ca -0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 3a0h n ASP 195 Cb 0.62 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.78 3a0h n ASP 195 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3a0h n SER 196 N 0.00 -0.24 -0.32 1.67 2.88 -1.26 -4.81 113.62 111.53 3a0h n SER 196 Ca 0.00 -1.16 0.26 0.00 -1.33 0.00 0.00 58.87 56.64 3a0h n SER 196 Cb 0.00 0.40 0.57 0.00 -0.75 0.00 0.00 64.21 64.43 3a0h n SER 196 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a0h h ALA 197 N 2.00 2.45 -0.17 -1.46 0.00 -1.92 -3.44 119.26 116.72 3a0h h ALA 197 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a0h h ALA 197 Cb 0.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3a0h h ALA 197 CO 0.05 -0.84 0.00 1.51 0.00 0.00 0.00 179.25 179.96 3a0h n ILE 198 N -4.53 0.00 -0.41 0.00 0.13 -1.26 -2.63 119.36 110.66 3a0h n ILE 198 Ca 0.25 0.00 0.40 0.00 -1.10 0.00 0.00 62.75 62.30 3a0h n ILE 198 Cb 0.97 0.00 0.76 0.00 -0.84 0.00 0.00 39.64 40.54 3a0h n ILE 198 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3a0h h ALA 199 N -0.17 3.30 -3.34 1.51 0.00 -1.89 -3.14 119.26 115.53 3a0h h ALA 199 Ca 0.00 -0.05 -0.69 0.00 0.00 0.00 0.00 54.91 54.18 3a0h h ALA 199 Cb 0.00 0.10 -0.34 0.00 0.00 0.00 0.00 17.79 17.55 3a0h h ALA 199 CO 0.00 -1.71 -0.63 -0.51 0.00 0.00 0.00 179.25 176.40 3a0h s LEU 200 N -8.15 4.67 -0.07 0.00 1.43 -1.08 -5.01 118.68 110.46 3a0h s LEU 200 Ca -0.05 -1.74 -0.24 0.00 -1.03 0.00 0.00 54.13 51.07 3a0h s LEU 200 Cb 0.24 -1.76 -0.20 0.00 0.03 0.00 0.00 46.19 44.50 3a0h s LEU 200 CO 0.82 -0.41 0.96 1.55 0.23 0.00 0.00 176.35 179.50 3a0h h PRO 201 N 7.98 -0.07 -0.61 1.29 0.13 -1.87 -3.35 132.00 135.50 3a0h h PRO 201 Ca -0.15 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.91 3a0h h PRO 201 Cb 1.05 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 3a0h h PRO 201 CO 0.61 0.52 0.09 1.04 -0.23 0.00 0.00 178.00 180.03 3a0h n GLN 202 N -4.81 4.44 -1.07 0.86 1.13 -1.26 -4.97 117.38 111.71 3a0h n GLN 202 Ca -0.08 -3.14 -0.29 0.00 -1.94 0.00 0.00 57.00 51.54 3a0h n GLN 202 Cb 0.31 -2.24 0.16 0.00 0.11 0.00 0.00 30.24 28.59 3a0h n GLN 202 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a0h s ALA 203 N -2.86 1.13 -0.63 -1.58 0.00 -1.26 -4.89 121.76 111.67 3a0h s ALA 203 Ca 0.54 -0.09 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 3a0h s ALA 203 Cb 0.42 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 3a0h s ALA 203 CO 0.15 -2.70 1.85 0.15 0.00 0.00 0.00 175.76 175.21 3a0h s LYS 204 N -4.86 2.64 0.04 0.00 -0.14 -1.26 -4.93 119.74 111.23 3a0h s LYS 204 Ca 0.65 0.53 -0.09 0.00 -1.36 0.00 0.00 55.97 55.70 3a0h s LYS 204 Cb -0.19 -4.42 -0.02 0.00 -1.68 0.00 0.00 37.83 31.51 3a0h s LYS 204 CO 0.58 -2.75 0.94 -1.91 -0.76 0.00 0.00 175.35 171.45 3a0h n GLU 205 N 9.18 -0.12 -2.44 1.68 4.07 -1.26 -4.63 120.64 127.11 3a0h n GLU 205 Ca 0.21 0.94 -0.41 0.00 -0.06 0.00 0.00 57.16 57.84 3a0h n GLU 205 Cb 0.52 -1.39 -0.04 0.00 -0.06 0.00 0.00 31.44 30.47 3a0h n GLU 205 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 3a0h s GLU 206 N -3.84 4.59 0.00 5.31 1.03 -1.26 -3.52 118.70 121.01 3a0h s GLU 206 Ca -0.03 1.83 0.00 0.00 0.03 0.00 0.00 54.97 56.79 3a0h s GLU 206 Cb 0.03 -3.21 0.00 0.00 -0.80 0.00 0.00 34.13 30.15 3a0h s GLU 206 CO 0.17 0.10 0.00 -1.91 -1.33 0.00 0.00 175.26 172.30 3a0h n GLU 207 N 1.64 0.00 -0.02 -4.83 2.13 -1.26 -4.85 120.64 113.45 3a0h n GLU 207 Ca 0.01 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.88 3a0h n GLU 207 Cb 0.45 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.21 3a0h n GLU 207 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3a0h n LEU 208 N 0.00 2.00 -0.17 4.31 4.77 -1.23 -4.47 117.00 122.21 3a0h n LEU 208 Ca 0.00 -1.09 -0.01 0.00 -0.03 0.00 0.00 56.01 54.87 3a0h n LEU 208 Cb 0.00 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 3a0h n LEU 208 CO 0.00 0.40 0.86 0.00 -1.33 0.00 0.00 177.39 177.32 3a0h h ALA 209 N 2.12 0.53 -0.89 -1.18 0.00 -1.89 0.54 119.26 118.49 3a0h h ALA 209 Ca 0.00 0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.30 3a0h h ALA 209 Cb 0.48 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 3a0h h ALA 209 CO 0.00 -0.37 0.15 -0.09 0.00 0.00 0.00 179.25 178.94 3a0h h ARG 210 N 0.15 0.12 0.00 0.00 9.65 -1.86 -2.77 114.38 119.67 3a0h h ARG 210 Ca 0.27 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 59.12 3a0h h ARG 210 Cb 0.41 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3a0h h ARG 210 CO -0.42 0.08 -0.18 0.00 2.80 0.00 0.00 179.97 182.25 3a0h h ALA 211 N 1.83 0.03 -2.07 2.80 0.00 -0.49 -3.39 119.26 117.97 3a0h h ALA 211 Ca 0.55 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3a0h h ALA 211 Cb 1.12 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3a0h h ALA 211 CO -0.74 0.12 0.00 0.09 0.00 0.00 0.00 179.25 178.72 3a0h n ASN 212 N -4.65 0.00 -4.66 0.00 3.02 0.14 -4.42 115.26 104.69 3a0h n ASN 212 Ca -0.09 0.65 -0.42 0.00 -0.03 0.00 0.00 54.58 54.69 3a0h n ASN 212 Cb 0.32 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 3a0h n ASN 212 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3a0h s VAL 213 N -1.62 3.26 -0.45 2.41 0.11 -1.11 -4.69 120.40 118.32 3a0h s VAL 213 Ca 0.00 0.32 -0.16 0.00 -2.93 0.00 0.00 61.98 59.21 3a0h s VAL 213 Cb 0.00 -3.21 0.05 0.00 -1.53 0.00 0.00 36.38 31.69 3a0h s VAL 213 CO 0.00 -0.03 0.41 -0.54 -3.33 0.00 0.00 175.10 171.60 3a0h s LYS 214 N 4.34 3.01 0.60 1.54 -0.14 -1.26 -4.77 119.74 123.05 3a0h s LYS 214 Ca 0.82 -1.14 -0.13 0.00 -1.36 0.00 0.00 55.97 54.16 3a0h s LYS 214 Cb -0.38 -4.07 -0.05 0.00 -1.68 0.00 0.00 37.83 31.65 3a0h s LYS 214 CO 0.36 -0.96 1.02 1.03 -0.76 0.00 0.00 175.35 176.04 3a0h s ARG 215 N 1.84 3.59 -0.17 1.68 3.00 -0.26 -4.81 118.95 123.82 3a0h s ARG 215 Ca 0.07 0.88 0.01 0.00 0.00 0.00 0.00 55.73 56.68 3a0h s ARG 215 Cb -0.21 -2.08 0.03 0.00 0.00 0.00 0.00 34.95 32.69 3a0h s ARG 215 CO 0.09 -0.57 -0.12 0.12 0.00 0.00 0.00 175.30 174.82 3a0h s PHE 216 N -2.94 2.26 0.66 -0.53 5.99 -1.26 -4.30 117.98 117.87 3a0h s PHE 216 Ca 0.57 -1.40 -0.13 0.00 0.00 0.00 0.00 56.93 55.97 3a0h s PHE 216 Cb -0.11 -1.60 -0.00 0.00 0.00 0.00 0.00 43.02 41.30 3a0h s PHE 216 CO 0.46 -0.70 1.07 -1.54 -0.00 0.00 0.00 175.22 174.51 3a0h s SER 217 N 1.45 5.35 -0.23 6.13 1.04 -1.26 -5.08 113.70 121.10 3a0h s SER 217 Ca 0.02 1.79 -0.04 0.00 0.48 0.00 0.00 55.95 58.20 3a0h s SER 217 Cb -0.15 -2.52 0.12 0.00 0.10 0.00 0.00 66.02 63.57 3a0h s SER 217 CO -0.09 -1.46 0.37 -0.22 0.98 0.00 0.00 173.24 172.81 3a0h s LEU 218 N -5.08 -0.58 0.05 2.42 2.96 -1.26 -4.35 118.68 112.84 3a0h s LEU 218 Ca 0.62 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 3a0h s LEU 218 Cb -0.16 1.08 -0.03 0.00 0.50 0.00 0.00 46.19 47.58 3a0h s LEU 218 CO 0.46 -0.29 0.01 0.42 -1.32 0.00 0.00 176.35 175.63 3a0h s THR 219 N 2.54 0.19 0.26 3.68 -4.23 -0.67 -4.97 115.64 112.44 3a0h s THR 219 Ca 0.09 -1.56 -0.26 0.00 -1.18 0.00 0.00 61.69 58.79 3a0h s THR 219 Cb -0.15 -1.29 -0.09 0.00 1.34 0.00 0.00 72.50 72.32 3a0h s THR 219 CO -0.15 -0.86 0.88 -0.54 -0.54 0.00 0.00 174.62 173.42 3a0h s LYS 220 N -3.49 4.60 0.00 3.99 -0.14 -1.26 -0.01 119.74 123.43 3a0h s LYS 220 Ca 0.03 1.27 0.00 0.00 -1.36 0.00 0.00 55.97 55.91 3a0h s LYS 220 Cb 0.05 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 33.19 3a0h s LYS 220 CO -0.08 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.32 3a0h n GLY 221 N 0.99 0.41 0.82 -3.33 0.00 -1.26 -4.76 105.19 98.06 3a0h n GLY 221 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3a0h n GLY 221 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3a0h n GLN 222 N -1.11 0.00 -0.69 1.61 6.02 -1.25 -4.30 117.38 117.65 3a0h n GLN 222 Ca 0.00 0.27 -0.02 0.00 -0.01 0.00 0.00 57.00 57.25 3a0h n GLN 222 Cb 0.00 -0.78 0.01 0.00 1.02 0.00 0.00 30.24 30.49 3a0h n GLN 222 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3a0h n ILE 223 N -0.23 0.00 -3.65 5.09 -6.64 -1.16 -3.14 119.36 109.63 3a0h n ILE 223 Ca 0.00 -0.11 -0.01 0.00 -1.77 0.00 0.00 62.75 60.85 3a0h n ILE 223 Cb 0.00 -1.41 -0.04 0.00 -1.44 0.00 0.00 39.64 36.74 3a0h n ILE 223 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3a0h s SER 224 N -1.31 -1.13 -0.24 7.28 0.01 -1.08 -3.77 113.70 113.46 3a0h s SER 224 Ca 0.05 1.57 0.02 0.00 1.31 0.00 0.00 55.95 58.90 3a0h s SER 224 Cb -0.00 2.23 0.05 0.00 0.21 0.00 0.00 66.02 68.51 3a0h s SER 224 CO 0.03 -0.22 -0.13 -0.76 0.41 0.00 0.00 173.24 172.57 3a0h s LEU 225 N 2.80 3.07 -0.13 2.44 1.02 0.76 -2.08 118.68 126.57 3a0h s LEU 225 Ca -0.06 -1.16 -0.02 0.00 0.02 0.00 0.00 54.13 52.91 3a0h s LEU 225 Cb -0.11 -1.54 -0.03 0.00 0.02 0.00 0.00 46.19 44.53 3a0h s LEU 225 CO -0.19 -0.13 -0.06 0.21 0.02 0.00 0.00 176.35 176.19 3a0h s ASN 226 N 1.17 4.63 0.53 2.29 3.04 -1.08 0.32 114.94 125.83 3a0h s ASN 226 Ca -0.04 -0.13 -0.12 0.00 0.04 0.00 0.00 52.86 52.61 3a0h s ASN 226 Cb -0.18 -1.58 -0.06 0.00 -1.54 0.00 0.00 41.25 37.90 3a0h s ASN 226 CO -0.07 0.23 0.94 -0.69 -3.04 0.00 0.00 177.10 174.46 3a0h s VAL 227 N 0.01 4.69 0.00 -5.21 1.01 -1.22 -2.51 120.40 117.17 3a0h s VAL 227 Ca -0.00 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.84 3a0h s VAL 227 Cb -0.14 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3a0h s VAL 227 CO 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 175.10 174.29 3a0h n ALA 228 N -2.02 0.19 -3.65 5.51 0.00 0.65 -4.52 120.51 116.66 3a0h n ALA 228 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 3a0h n ALA 228 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 3a0h n ALA 228 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3a0h s LYS 229 N -0.21 0.03 0.04 0.00 1.02 -1.12 -4.69 119.74 114.81 3a0h s LYS 229 Ca 0.00 0.46 0.05 0.00 0.02 0.00 0.00 55.97 56.50 3a0h s LYS 229 Cb 0.00 -0.49 -0.02 0.00 -0.52 0.00 0.00 37.83 36.80 3a0h s LYS 229 CO 0.00 -0.36 -0.14 0.08 -0.92 0.00 0.00 175.35 174.00 3a0h s VAL 230 N 2.27 1.14 -0.08 3.17 1.01 -1.26 -0.27 120.40 126.38 3a0h s VAL 230 Ca 0.04 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3a0h s VAL 230 Cb -0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3a0h s VAL 230 CO -0.06 0.01 -0.16 -0.62 0.00 0.00 0.00 175.10 174.27 3a0h s ASP 231 N -1.16 3.85 0.10 3.32 -1.08 -0.64 -2.84 116.67 118.23 3a0h s ASP 231 Ca 0.02 -0.30 -0.15 0.00 -0.52 0.00 0.00 52.55 51.59 3a0h s ASP 231 Cb -0.08 -1.16 -0.06 0.00 -1.46 0.00 0.00 42.92 40.15 3a0h s ASP 231 CO 0.01 0.25 1.48 1.23 0.52 0.00 0.00 175.17 178.66 3a0h h GLY 232 N 6.03 0.73 0.02 2.66 0.00 -1.71 -3.28 103.07 107.51 3a0h h GLY 232 Ca -0.35 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.21 3a0h h GLY 232 CO 0.52 0.59 -0.63 0.07 0.00 0.00 0.00 176.54 177.09 3a0h h ARG 233 N 0.44 0.01 -0.76 4.80 0.11 -1.89 -3.39 114.38 113.70 3a0h h ARG 233 Ca 0.07 -0.02 0.18 0.00 0.10 0.00 0.00 59.98 60.32 3a0h h ARG 233 Cb 0.67 0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.72 3a0h h ARG 233 CO 0.05 1.01 0.52 1.79 0.10 0.00 0.00 179.97 183.43 3a0h h THR 234 N -0.98 0.71 0.00 0.08 1.35 -1.94 -3.45 112.91 108.69 3a0h h THR 234 Ca -0.17 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3a0h h THR 234 Cb 1.17 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3a0h h THR 234 CO -0.09 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 3a0h n GLY 235 N -1.59 1.09 3.77 5.82 0.00 -1.24 -4.52 105.19 108.54 3a0h n GLY 235 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3a0h n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a0h s GLU 236 N -0.37 4.26 -0.24 1.61 2.02 -1.26 0.11 118.70 124.83 3a0h s GLU 236 Ca 0.00 1.63 -0.19 0.00 0.02 0.00 0.00 54.97 56.42 3a0h s GLU 236 Cb 0.00 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.58 3a0h s GLU 236 CO 0.00 -0.08 0.63 -1.50 0.02 0.00 0.00 175.26 174.33 3a0h s ILE 237 N -1.50 -0.00 0.30 -1.63 2.07 -1.22 -1.61 121.20 117.61 3a0h s ILE 237 Ca 0.54 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.83 3a0h s ILE 237 Cb -0.26 -0.89 -0.06 0.00 0.13 0.00 0.00 42.46 41.38 3a0h s ILE 237 CO 0.32 0.00 0.05 0.00 -1.91 0.00 0.00 174.94 173.41 3a0h s ALA 238 N 0.83 2.23 0.00 1.50 0.00 0.63 -1.76 121.76 125.20 3a0h s ALA 238 Ca -0.04 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.92 3a0h s ALA 238 Cb -0.05 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.73 3a0h s ALA 238 CO -0.07 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3a0h n GLY 239 N -0.63 -0.50 3.88 0.00 0.00 0.67 -0.25 105.19 108.36 3a0h n GLY 239 Ca -0.02 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 3a0h n GLY 239 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a0h s THR 240 N -2.00 4.85 0.04 2.61 -1.32 -1.04 0.25 115.64 119.02 3a0h s THR 240 Ca 0.00 0.54 0.00 0.00 -1.21 0.00 0.00 61.69 61.02 3a0h s THR 240 Cb 0.00 -3.68 -0.03 0.00 -1.51 0.00 0.00 72.50 67.28 3a0h s THR 240 CO 0.00 -0.31 -0.04 0.72 -2.21 0.00 0.00 174.62 172.78 3a0h s PHE 241 N -2.10 0.44 -0.22 9.09 -0.12 0.18 -2.64 117.98 122.60 3a0h s PHE 241 Ca 0.49 -0.69 -0.04 0.00 -0.05 0.00 0.00 56.93 56.64 3a0h s PHE 241 Cb -0.11 -0.30 0.08 0.00 -0.63 0.00 0.00 43.02 42.07 3a0h s PHE 241 CO 0.26 -0.22 0.13 -2.00 -0.05 0.00 0.00 175.22 173.34 3a0h s GLU 242 N -2.30 0.13 -0.12 1.99 2.12 -0.88 -2.90 118.70 116.74 3a0h s GLU 242 Ca -0.07 -0.17 -0.08 0.00 0.36 0.00 0.00 54.97 55.00 3a0h s GLU 242 Cb -0.04 -1.47 -0.04 0.00 0.26 0.00 0.00 34.13 32.84 3a0h s GLU 242 CO -0.03 -0.79 0.17 -1.54 -0.54 0.00 0.00 175.26 172.52 3a0h s SER 243 N 2.17 6.41 -0.26 -1.70 1.04 -0.00 -2.63 113.70 118.72 3a0h s SER 243 Ca 0.05 0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.98 3a0h s SER 243 Cb -0.16 -2.09 0.07 0.00 0.10 0.00 0.00 66.02 63.94 3a0h s SER 243 CO -0.19 0.36 -0.04 -0.70 0.98 0.00 0.00 173.24 173.65 3a0h s GLU 244 N -0.80 1.66 0.04 4.02 2.12 -1.19 0.14 118.70 124.70 3a0h s GLU 244 Ca 0.15 -1.21 0.01 0.00 0.36 0.00 0.00 54.97 54.27 3a0h s GLU 244 Cb -0.12 -2.70 -0.00 0.00 0.26 0.00 0.00 34.13 31.56 3a0h s GLU 244 CO 0.04 -0.68 0.02 0.00 -0.54 0.00 0.00 175.26 174.10 3a0h n GLN 245 N 4.57 0.74 -3.65 4.30 10.64 0.54 -4.31 117.38 130.21 3a0h n GLN 245 Ca -0.09 -0.37 -0.21 0.00 -1.83 0.00 0.00 57.00 54.49 3a0h n GLN 245 Cb 0.43 0.22 -0.04 0.00 -0.86 0.00 0.00 30.24 30.00 3a0h n GLN 245 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3a0h s LEU 246 N 0.00 3.33 0.00 2.61 1.43 -1.26 -0.53 118.68 124.26 3a0h s LEU 246 Ca 0.03 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 3a0h s LEU 246 Cb 0.00 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.28 3a0h s LEU 246 CO 0.02 -0.66 0.00 -1.54 0.23 0.00 0.00 176.35 174.40 3a0h n SER 247 N -1.52 0.00 -4.59 2.29 3.41 -0.88 -4.44 113.62 107.89 3a0h n SER 247 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.23 3a0h n SER 247 Cb 0.62 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 3a0h n SER 247 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a0h s ASP 248 N -1.00 6.45 0.25 4.04 2.15 -0.51 -4.68 116.67 123.37 3a0h s ASP 248 Ca 0.00 0.30 0.03 0.00 0.43 0.00 0.00 52.55 53.31 3a0h s ASP 248 Cb 0.00 -2.32 0.31 0.00 -0.30 0.00 0.00 42.92 40.61 3a0h s ASP 248 CO 0.00 -0.49 1.62 -0.78 -0.17 0.00 0.00 175.17 175.34 3a0h h ASP 249 N 8.29 0.38 -5.89 -0.34 -0.00 -1.90 -3.39 116.42 113.55 3a0h h ASP 249 Ca -0.27 -0.18 -0.38 0.00 -0.00 0.00 0.00 57.03 56.21 3a0h h ASP 249 Cb 1.12 -0.11 0.11 0.00 -0.00 0.00 0.00 39.33 40.45 3a0h h ASP 249 CO 0.80 0.80 -0.81 -0.67 -0.00 0.00 0.00 179.24 179.35 3a0h n ASP 250 N -3.98 -2.00 0.00 2.28 -0.08 -1.26 -3.02 116.55 108.49 3a0h n ASP 250 Ca -0.02 -0.75 0.00 0.00 -1.51 0.00 0.00 54.79 52.51 3a0h n ASP 250 Cb 0.54 -4.50 0.00 0.00 2.34 0.00 0.00 41.12 39.50 3a0h n ASP 250 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3a0h n MET 251 N -4.14 0.00 0.00 -0.67 2.81 -1.26 -1.07 117.12 112.78 3a0h n MET 251 Ca -0.27 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.62 3a0h n MET 251 Cb 0.67 -0.24 0.00 0.00 -0.71 0.00 0.00 33.22 32.94 3a0h n MET 251 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a0h n GLY 252 N 0.00 0.00 0.00 3.03 0.00 -1.17 -1.10 105.19 105.96 3a0h n GLY 252 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a0h n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a0h n ALA 253 N -0.12 0.00 -2.59 4.61 0.00 -0.24 -4.67 120.51 117.50 3a0h n ALA 253 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3a0h n ALA 253 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3a0h n ALA 253 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3a0h s HIS 254 N 0.00 2.72 0.11 0.00 -3.43 -1.25 -5.04 115.29 108.41 3a0h s HIS 254 Ca 0.00 -0.18 -0.31 0.00 -0.80 0.00 0.00 55.06 53.77 3a0h s HIS 254 Cb 0.00 -1.36 -0.09 0.00 -1.43 0.00 0.00 32.58 29.70 3a0h s HIS 254 CO 0.00 0.48 1.50 -1.21 -2.00 0.00 0.00 174.74 173.51 3a0h s GLU 255 N -2.60 4.26 1.04 -0.38 0.41 -1.26 -4.68 118.70 115.48 3a0h s GLU 255 Ca 0.24 2.21 -0.13 0.00 -0.41 0.00 0.00 54.97 56.88 3a0h s GLU 255 Cb -0.10 -3.30 0.15 0.00 -1.78 0.00 0.00 34.13 29.10 3a0h s GLU 255 CO 0.15 -0.56 0.67 -0.35 -0.49 0.00 0.00 175.26 174.68 3a0h n PRO 256 N 4.37 -1.23 -4.32 0.39 -0.04 -1.26 -5.03 135.00 127.88 3a0h n PRO 256 Ca 0.13 -0.32 -0.31 0.00 -0.04 0.00 0.00 63.50 62.96 3a0h n PRO 256 Cb 0.41 -2.04 -0.10 0.00 -0.04 0.00 0.00 33.50 31.73 3a0h n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3a0h s HIS 257 N -2.42 2.91 0.45 0.54 3.76 -1.26 -4.90 115.29 114.37 3a0h s HIS 257 Ca 0.62 -0.04 -0.21 0.00 -0.15 0.00 0.00 55.06 55.29 3a0h s HIS 257 Cb -0.21 -1.57 -0.10 0.00 1.11 0.00 0.00 32.58 31.81 3a0h s HIS 257 CO 0.64 0.42 0.99 -1.21 -0.85 0.00 0.00 174.74 174.73 3a0h s GLU 258 N -1.77 4.04 -0.04 1.40 2.02 -1.26 -2.08 118.70 121.02 3a0h s GLU 258 Ca 0.20 1.23 -0.03 0.00 0.02 0.00 0.00 54.97 56.39 3a0h s GLU 258 Cb -0.11 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 31.98 3a0h s GLU 258 CO 0.11 -0.20 0.09 0.08 0.02 0.00 0.00 175.26 175.36 3a0h s VAL 259 N -2.08 -0.00 -0.01 2.63 1.01 0.31 -0.62 120.40 121.65 3a0h s VAL 259 Ca 0.64 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.67 3a0h s VAL 259 Cb -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 3a0h s VAL 259 CO 0.16 0.00 -0.14 -0.75 0.00 0.00 0.00 175.10 174.37 3a0h s LYS 260 N 0.06 2.35 -0.06 2.72 2.20 0.03 -0.34 119.74 126.71 3a0h s LYS 260 Ca -0.00 -0.81 0.03 0.00 -0.36 0.00 0.00 55.97 54.83 3a0h s LYS 260 Cb -0.01 -2.33 0.01 0.00 -1.51 0.00 0.00 37.83 33.99 3a0h s LYS 260 CO 0.00 0.59 -0.14 0.42 -0.36 0.00 0.00 175.35 175.86 3a0h s ILE 261 N -0.86 1.24 0.10 5.43 -1.09 0.37 -1.35 121.20 125.03 3a0h s ILE 261 Ca 0.14 -0.57 0.05 0.00 -2.23 0.00 0.00 60.65 58.04 3a0h s ILE 261 Cb -0.11 -1.10 -0.03 0.00 -1.58 0.00 0.00 42.46 39.64 3a0h s ILE 261 CO 0.04 0.37 -0.13 -1.10 -1.23 0.00 0.00 174.94 172.89 3a0h s GLN 262 N 0.41 0.89 0.00 2.79 -0.21 0.09 -0.82 119.66 122.82 3a0h s GLN 262 Ca -0.10 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.17 3a0h s GLN 262 Cb -0.14 -0.76 0.00 0.00 1.00 0.00 0.00 33.01 33.11 3a0h s GLN 262 CO 0.03 0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.76 3a0h n GLY 263 N 0.82 0.44 3.93 3.09 0.00 -1.14 0.89 105.19 113.22 3a0h n GLY 263 Ca -0.18 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 3a0h n GLY 263 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a0h s VAL 264 N -2.00 4.98 -0.04 1.61 1.01 -0.83 -0.65 120.40 124.48 3a0h s VAL 264 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3a0h s VAL 264 Cb 0.00 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.56 3a0h s VAL 264 CO 0.00 -0.63 0.10 0.72 0.00 0.00 0.00 175.10 175.29 3a0h s PHE 265 N -2.45 -0.10 0.48 5.22 -0.12 0.68 -1.28 117.98 120.41 3a0h s PHE 265 Ca 0.43 0.31 0.08 0.00 -0.05 0.00 0.00 56.93 57.70 3a0h s PHE 265 Cb -0.10 -0.05 0.04 0.00 -0.63 0.00 0.00 43.02 42.28 3a0h s PHE 265 CO 0.39 -0.09 0.62 -0.47 -0.05 0.00 0.00 175.22 175.61 3a0h s TYR 266 N 0.58 2.23 0.00 3.49 5.04 -0.25 -0.24 117.35 128.21 3a0h s TYR 266 Ca -0.04 -0.55 0.00 0.00 -2.44 0.00 0.00 57.07 54.04 3a0h s TYR 266 Cb -0.06 -2.27 0.00 0.00 0.35 0.00 0.00 41.96 39.98 3a0h s TYR 266 CO -0.02 -0.65 0.00 0.00 -1.34 0.00 0.00 175.55 173.53 3a0h n ALA 267 N -1.95 0.00 -1.96 3.97 0.00 -0.73 -1.45 120.51 118.40 3a0h n ALA 267 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 3a0h n ALA 267 Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 3a0h n ALA 267 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3a0h s SER 268 N 0.00 7.15 -0.09 0.00 1.04 -1.14 -3.39 113.70 117.27 3a0h s SER 268 Ca 0.00 2.25 -0.00 0.00 0.48 0.00 0.00 55.95 58.67 3a0h s SER 268 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 3a0h s SER 268 CO 0.00 -0.29 -0.07 -0.63 0.98 0.00 0.00 173.24 173.23 3a0h s ILE 269 N -0.45 3.69 0.13 -1.02 1.01 0.30 -0.38 121.20 124.47 3a0h s ILE 269 Ca 0.50 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.69 3a0h s ILE 269 Cb -0.32 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 3a0h s ILE 269 CO 0.38 0.57 -0.02 -1.83 0.00 0.00 0.00 174.94 174.05 3a0h s GLU 270 N -0.49 0.93 0.00 2.79 -1.05 -0.53 -4.03 118.70 116.32 3a0h s GLU 270 Ca 0.07 -1.41 0.25 0.00 -0.15 0.00 0.00 54.97 53.73 3a0h s GLU 270 Cb -0.12 -0.12 1.52 0.00 -0.44 0.00 0.00 34.13 34.97 3a0h s GLU 270 CO 0.02 -0.11 1.88 -2.30 0.95 0.00 0.00 175.26 175.70