#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0x s VAL 2 N 0.00 2.86 -0.04 5.09 1.01 -1.26 -3.95 120.40 124.12 1n0x s VAL 2 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 1n0x s VAL 2 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1n0x s VAL 2 CO 0.00 -0.00 0.17 -1.58 0.00 0.00 0.00 175.10 173.69 1n0x s GLN 3 N 2.82 0.33 -0.14 2.72 0.74 -0.40 -4.99 119.66 120.74 1n0x s GLN 3 Ca 0.77 -0.00 0.00 0.00 0.05 0.00 0.00 55.36 56.18 1n0x s GLN 3 Cb -0.42 0.15 0.03 0.00 1.10 0.00 0.00 33.01 33.86 1n0x s GLN 3 CO 0.34 -0.07 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.40 1n0x s LEU 4 N -0.51 1.54 -0.17 3.68 1.02 -1.26 -1.26 118.68 121.71 1n0x s LEU 4 Ca -0.06 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 53.60 1n0x s LEU 4 Cb -0.04 -1.04 -0.01 0.00 0.02 0.00 0.00 46.19 45.12 1n0x s LEU 4 CO 0.01 -0.10 -0.07 -0.69 0.02 0.00 0.00 176.35 175.52 1n0x s VAL 5 N 1.58 3.37 0.24 -1.59 1.01 -0.32 -4.26 120.40 120.43 1n0x s VAL 5 Ca 0.04 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1n0x s VAL 5 Cb -0.13 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1n0x s VAL 5 CO -0.09 0.48 0.19 -1.10 0.00 0.00 0.00 175.10 174.57 1n0x s GLN 6 N 0.80 2.92 0.95 2.72 -0.21 -1.26 -0.43 119.66 125.16 1n0x s GLN 6 Ca -0.03 -1.03 -0.12 0.00 0.02 0.00 0.00 55.36 54.20 1n0x s GLN 6 Cb -0.15 -2.57 0.16 0.00 1.00 0.00 0.00 33.01 31.45 1n0x s GLN 6 CO 0.01 0.41 1.09 -1.54 -2.12 0.00 0.00 175.29 173.14 1n0x s SER 7 N -3.76 2.90 0.90 5.90 1.04 -1.07 -5.00 113.70 114.62 1n0x s SER 7 Ca 0.33 1.54 -0.12 0.00 0.48 0.00 0.00 55.95 58.17 1n0x s SER 7 Cb -0.08 -2.21 0.13 0.00 0.10 0.00 0.00 66.02 63.97 1n0x s SER 7 CO 0.25 -3.01 1.14 -0.83 0.98 0.00 0.00 173.24 171.77 1n0x s GLY 8 N -3.19 1.58 0.58 7.32 0.00 -1.26 -4.65 107.32 107.70 1n0x s GLY 8 Ca 0.65 -0.55 -0.18 0.00 0.00 0.00 0.00 44.72 44.64 1n0x s GLY 8 CO 0.58 0.00 0.59 0.00 0.00 0.00 0.00 173.10 174.28 1n0x n ALA 9 N -3.72 -0.97 -2.63 3.20 0.00 -1.26 -4.75 120.51 110.37 1n0x n ALA 9 Ca 0.07 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 1n0x n ALA 9 Cb 0.59 -1.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.06 1n0x n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1n0x s GLU 10 N -2.23 0.76 -0.10 0.00 0.41 0.58 -4.97 118.70 113.16 1n0x s GLU 10 Ca 0.70 -1.01 -0.01 0.00 -0.41 0.00 0.00 54.97 54.24 1n0x s GLU 10 Cb -0.43 -0.56 0.03 0.00 -1.78 0.00 0.00 34.13 31.39 1n0x s GLU 10 CO 0.53 0.10 -0.02 0.08 -0.49 0.00 0.00 175.26 175.47 1n0x s VAL 11 N -1.87 0.59 0.11 2.63 1.01 -1.26 -0.99 120.40 120.62 1n0x s VAL 11 Ca -0.00 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1n0x s VAL 11 Cb -0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1n0x s VAL 11 CO 0.01 0.23 -0.14 -0.54 0.00 0.00 0.00 175.10 174.66 1n0x s LYS 12 N 1.88 0.98 0.42 2.72 -0.14 0.85 -4.96 119.74 121.49 1n0x s LYS 12 Ca 0.04 -1.18 -0.02 0.00 -1.36 0.00 0.00 55.97 53.45 1n0x s LYS 12 Cb -0.13 -0.89 -0.03 0.00 -1.68 0.00 0.00 37.83 35.10 1n0x s LYS 12 CO -0.06 0.18 0.67 0.15 -0.76 0.00 0.00 175.35 175.53 1n0x s LYS 13 N -2.49 3.45 0.39 1.68 1.02 -1.25 -1.12 119.74 121.41 1n0x s LYS 13 Ca 0.07 -0.10 -0.27 0.00 0.02 0.00 0.00 55.97 55.68 1n0x s LYS 13 Cb -0.06 -2.51 -0.11 0.00 -0.52 0.00 0.00 37.83 34.63 1n0x s LYS 13 CO 0.03 -0.07 1.43 -2.30 -0.92 0.00 0.00 175.35 173.52 1n0x n PRO 14 N -2.05 2.48 0.00 -1.68 -0.02 -1.26 -2.40 135.00 130.07 1n0x n PRO 14 Ca -0.02 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1n0x n PRO 14 Cb 0.56 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1n0x n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n0x n GLY 15 N 0.54 2.59 3.96 -1.23 0.00 0.17 -4.93 105.19 106.29 1n0x n GLY 15 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1n0x n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0x s ALA 16 N -2.37 3.00 0.29 4.61 0.00 -1.01 -4.08 121.76 122.21 1n0x s ALA 16 Ca 0.00 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 50.62 1n0x s ALA 16 Cb 0.00 -2.40 -0.06 0.00 0.00 0.00 0.00 23.12 20.67 1n0x s ALA 16 CO 0.00 -1.89 -0.12 -1.54 0.00 0.00 0.00 175.76 172.21 1n0x s SER 17 N -4.79 3.33 0.02 0.00 1.04 -1.26 -0.84 113.70 111.20 1n0x s SER 17 Ca 0.69 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1n0x s SER 17 Cb -0.05 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 1n0x s SER 17 CO 0.48 -0.17 -0.03 0.54 0.98 0.00 0.00 173.24 175.05 1n0x s VAL 18 N -2.72 0.13 -0.10 5.02 0.11 -0.61 -4.99 120.40 117.25 1n0x s VAL 18 Ca 0.30 -0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 58.48 1n0x s VAL 18 Cb 0.00 -0.27 0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1n0x s VAL 18 CO 0.14 -0.46 -0.03 -0.75 -3.33 0.00 0.00 175.10 170.67 1n0x s LYS 19 N -1.37 1.06 -0.02 1.54 2.20 -1.26 -0.89 119.74 121.00 1n0x s LYS 19 Ca -0.15 -0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.38 1n0x s LYS 19 Cb -0.09 -1.32 -0.04 0.00 -1.51 0.00 0.00 37.83 34.87 1n0x s LYS 19 CO -0.01 -0.30 0.02 0.08 -0.36 0.00 0.00 175.35 174.78 1n0x s VAL 20 N 1.84 4.29 0.22 4.02 1.01 -0.27 -4.95 120.40 126.56 1n0x s VAL 20 Ca 0.05 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.62 1n0x s VAL 20 Cb -0.13 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1n0x s VAL 20 CO -0.07 0.41 -0.08 -0.94 0.00 0.00 0.00 175.10 174.42 1n0x s SER 21 N -1.47 4.24 -0.22 3.32 1.04 -1.26 -1.33 113.70 118.01 1n0x s SER 21 Ca 0.19 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.91 1n0x s SER 21 Cb -0.12 -0.69 0.08 0.00 0.10 0.00 0.00 66.02 65.39 1n0x s SER 21 CO 0.09 0.06 0.11 0.00 0.98 0.00 0.00 173.24 174.49 1n0x s GLN 23 N 2.13 3.98 0.42 0.00 0.74 0.43 -0.58 119.66 126.78 1n0x s GLN 23 Ca 0.05 -0.08 -0.03 0.00 0.05 0.00 0.00 55.36 55.35 1n0x s GLN 23 Cb -0.16 -3.66 -0.04 0.00 1.10 0.00 0.00 33.01 30.25 1n0x s GLN 23 CO -0.21 -0.26 0.69 0.00 -0.55 0.00 0.00 175.29 174.96 1n0x s ALA 24 N 1.98 3.51 0.10 1.58 0.00 0.30 -1.17 121.76 128.06 1n0x s ALA 24 Ca 0.13 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.20 1n0x s ALA 24 Cb -0.16 -2.41 0.08 0.00 0.00 0.00 0.00 23.12 20.63 1n0x s ALA 24 CO 0.10 -0.20 0.72 -1.12 0.00 0.00 0.00 175.76 175.26 1n0x s SER 25 N -4.00 -0.48 0.00 0.00 0.01 -0.39 -4.90 113.70 103.93 1n0x s SER 25 Ca 0.45 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1n0x s SER 25 Cb -0.10 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1n0x s SER 25 CO 0.41 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1n0x n GLY 26 N -0.33 0.71 3.85 3.44 0.00 -1.25 -1.27 105.19 110.33 1n0x n GLY 26 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 1n0x n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n0x s TYR 27 N -2.61 0.05 -0.67 1.61 1.13 -1.26 -4.30 117.35 111.30 1n0x s TYR 27 Ca 0.00 -0.49 -0.26 0.00 -1.41 0.00 0.00 57.07 54.92 1n0x s TYR 27 Cb 0.00 0.72 0.04 0.00 -1.10 0.00 0.00 41.96 41.62 1n0x s TYR 27 CO 0.00 -1.02 1.14 -0.98 -2.51 0.00 0.00 175.55 172.18 1n0x s ARG 28 N -2.35 3.23 0.22 -3.49 3.03 -1.26 -4.92 118.95 113.41 1n0x s ARG 28 Ca 0.19 -0.33 -0.10 0.00 2.03 0.00 0.00 55.73 57.52 1n0x s ARG 28 Cb -0.03 -4.15 0.31 0.00 -1.03 0.00 0.00 34.95 30.05 1n0x s ARG 28 CO 0.06 -1.90 1.66 0.35 -1.13 0.00 0.00 175.30 174.34 1n0x h PHE 29 N 9.74 -0.02 0.00 5.89 3.57 -1.96 -1.98 116.94 132.18 1n0x h PHE 29 Ca -0.28 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1n0x h PHE 29 Cb 1.06 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1n0x h PHE 29 CO 1.04 -0.16 0.00 -1.13 -2.23 0.00 0.00 178.31 175.83 1n0x n SER 30 N -5.28 0.26 -0.41 0.41 3.41 -1.26 -3.01 113.62 107.74 1n0x n SER 30 Ca 0.10 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 1n0x n SER 30 Cb 0.37 -0.63 0.33 0.00 -0.26 0.00 0.00 64.21 64.02 1n0x n SER 30 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1n0x n ASN 31 N -1.80 1.49 -4.06 4.04 5.03 -0.74 -3.40 115.26 115.82 1n0x n ASN 31 Ca 0.02 -1.25 -0.22 0.00 0.87 0.00 0.00 54.58 53.99 1n0x n ASN 31 Cb 0.15 0.14 -0.16 0.00 -1.02 0.00 0.00 39.78 38.89 1n0x n ASN 31 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1n0x s PHE 32 N -2.31 1.23 0.51 3.10 0.08 -1.16 -5.02 117.98 114.39 1n0x s PHE 32 Ca 0.28 -0.31 -0.20 0.00 0.12 0.00 0.00 56.93 56.81 1n0x s PHE 32 Cb 0.20 -0.84 -0.07 0.00 -0.57 0.00 0.00 43.02 41.73 1n0x s PHE 32 CO 0.46 -0.11 1.10 0.08 -0.10 0.00 0.00 175.22 176.65 1n0x s VAL 33 N 0.07 3.40 -0.10 -0.44 1.01 -1.26 -4.33 120.40 118.75 1n0x s VAL 33 Ca -0.02 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.89 1n0x s VAL 33 Cb -0.09 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1n0x s VAL 33 CO 0.01 -0.16 -0.19 -0.63 0.00 0.00 0.00 175.10 174.12 1n0x s ILE 34 N -1.81 2.50 0.07 2.22 -1.09 0.13 -2.14 121.20 121.07 1n0x s ILE 34 Ca 0.69 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1n0x s ILE 34 Cb -0.22 -1.99 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1n0x s ILE 34 CO 0.25 0.55 0.16 -1.00 -1.23 0.00 0.00 174.94 173.68 1n0x s HIS 35 N 0.21 3.39 -0.09 3.97 3.76 0.14 -0.67 115.29 125.99 1n0x s HIS 35 Ca -0.12 0.17 0.04 0.00 -0.15 0.00 0.00 55.06 55.00 1n0x s HIS 35 Cb -0.16 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.83 1n0x s HIS 35 CO 0.06 0.56 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.72 1n0x s TRP 36 N -1.48 2.32 0.02 1.40 0.52 0.08 -0.78 118.94 121.01 1n0x s TRP 36 Ca 0.33 -0.94 0.00 0.00 0.02 0.00 0.00 56.10 55.51 1n0x s TRP 36 Cb -0.13 -1.57 -0.02 0.00 -1.15 0.00 0.00 33.47 30.61 1n0x s TRP 36 CO 0.26 -0.39 -0.03 0.08 0.02 0.00 0.00 176.95 176.89 1n0x s VAL 37 N 0.43 0.10 0.19 4.03 1.01 0.13 -0.69 120.40 125.59 1n0x s VAL 37 Ca -0.18 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1n0x s VAL 37 Cb -0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1n0x s VAL 37 CO 0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 175.10 174.73 1n0x s ARG 38 N -1.19 1.20 -0.18 2.72 1.70 -0.62 0.93 118.95 123.50 1n0x s ARG 38 Ca -0.13 -1.57 -0.04 0.00 -0.47 0.00 0.00 55.73 53.52 1n0x s ARG 38 Cb -0.08 -0.55 0.08 0.00 -0.57 0.00 0.00 34.95 33.83 1n0x s ARG 38 CO -0.01 -0.04 0.20 -1.14 -1.08 0.00 0.00 175.30 173.23 1n0x s GLN 39 N -3.83 0.15 0.36 3.89 0.74 -0.28 0.02 119.66 120.71 1n0x s GLN 39 Ca 0.23 0.21 -0.13 0.00 0.05 0.00 0.00 55.36 55.73 1n0x s GLN 39 Cb 0.05 -1.17 -0.08 0.00 1.10 0.00 0.00 33.01 32.91 1n0x s GLN 39 CO 0.05 -0.61 0.75 0.00 -0.55 0.00 0.00 175.29 174.93 1n0x s ALA 40 N 2.30 3.33 0.05 1.58 0.00 -1.26 -1.86 121.76 125.90 1n0x s ALA 40 Ca 0.06 -0.06 -0.35 0.00 0.00 0.00 0.00 51.96 51.61 1n0x s ALA 40 Cb -0.15 -2.74 -0.14 0.00 0.00 0.00 0.00 23.12 20.08 1n0x s ALA 40 CO -0.11 0.19 1.64 -0.35 0.00 0.00 0.00 175.76 177.12 1n0x n PRO 41 N -0.76 1.94 -0.97 0.00 -0.04 -1.26 -1.36 135.00 132.54 1n0x n PRO 41 Ca 0.03 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1n0x n PRO 41 Cb 0.53 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1n0x n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n0x n GLY 42 N 3.60 1.06 3.83 0.55 0.00 -1.26 -5.02 105.19 107.94 1n0x n GLY 42 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1n0x n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n0x s GLN 43 N -0.00 2.35 0.60 1.61 -1.52 -0.46 -5.13 119.66 117.11 1n0x s GLN 43 Ca 0.00 -1.78 -0.08 0.00 -1.95 0.00 0.00 55.36 51.55 1n0x s GLN 43 Cb 0.00 -2.15 -0.01 0.00 -0.22 0.00 0.00 33.01 30.64 1n0x s GLN 43 CO 0.00 -0.26 0.95 1.03 -0.25 0.00 0.00 175.29 176.77 1n0x s ARG 44 N -4.07 3.15 0.53 2.91 0.52 -1.26 -4.65 118.95 116.07 1n0x s ARG 44 Ca 0.42 0.29 -0.22 0.00 -0.52 0.00 0.00 55.73 55.70 1n0x s ARG 44 Cb -0.00 -2.19 -0.05 0.00 0.52 0.00 0.00 34.95 33.22 1n0x s ARG 44 CO 0.24 -0.67 1.33 -0.06 0.02 0.00 0.00 175.30 176.17 1n0x s PHE 45 N -3.07 2.39 -0.20 -0.53 0.40 -1.26 -4.54 117.98 111.16 1n0x s PHE 45 Ca 0.54 1.39 -0.01 0.00 -0.60 0.00 0.00 56.93 58.25 1n0x s PHE 45 Cb -0.11 -3.74 0.06 0.00 0.51 0.00 0.00 43.02 39.74 1n0x s PHE 45 CO 0.48 -2.68 -0.01 -2.00 0.70 0.00 0.00 175.22 171.72 1n0x s GLU 46 N -2.84 1.10 0.30 0.44 2.12 0.10 -4.96 118.70 114.96 1n0x s GLU 46 Ca 0.69 -0.63 -0.29 0.00 0.36 0.00 0.00 54.97 55.10 1n0x s GLU 46 Cb -0.39 -2.26 -0.10 0.00 0.26 0.00 0.00 34.13 31.64 1n0x s GLU 46 CO 0.46 -0.60 1.40 -0.46 -0.54 0.00 0.00 175.26 175.53 1n0x s TRP 47 N 1.66 2.95 -0.13 5.30 -0.00 -1.26 -1.59 118.94 125.88 1n0x s TRP 47 Ca -0.03 1.18 0.07 0.00 -0.00 0.00 0.00 56.10 57.33 1n0x s TRP 47 Cb -0.17 -3.81 -0.13 0.00 -0.00 0.00 0.00 33.47 29.36 1n0x s TRP 47 CO -0.07 -2.45 -0.02 -1.33 -0.00 0.00 0.00 176.95 173.08 1n0x n MET 48 N 1.48 1.49 -2.96 5.86 2.81 0.13 -4.75 117.12 121.18 1n0x n MET 48 Ca 0.03 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1n0x n MET 48 Cb 0.41 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1n0x n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n0x n GLY 49 N 2.44 -1.63 3.14 3.03 0.00 -1.18 -0.94 105.19 110.05 1n0x n GLY 49 Ca -0.22 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 1n0x n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1n0x s TRP 50 N -1.99 0.61 0.00 1.61 1.48 -0.38 -0.74 118.94 119.52 1n0x s TRP 50 Ca 0.00 -1.07 0.00 0.00 -1.06 0.00 0.00 56.10 53.98 1n0x s TRP 50 Cb 0.00 -0.37 -0.00 0.00 -1.16 0.00 0.00 33.47 31.94 1n0x s TRP 50 CO 0.00 -0.47 -0.02 -1.50 -4.06 0.00 0.00 176.95 170.90 1n0x s ILE 51 N -3.97 0.11 -0.42 0.66 2.07 0.15 -1.76 121.20 118.04 1n0x s ILE 51 Ca 0.14 -0.18 -0.14 0.00 -1.41 0.00 0.00 60.65 59.06 1n0x s ILE 51 Cb 0.07 -0.12 0.03 0.00 0.13 0.00 0.00 42.46 42.58 1n0x s ILE 51 CO -0.05 -0.05 0.30 0.21 -1.91 0.00 0.00 174.94 173.45 1n0x s ASN 52 N -0.24 6.04 0.42 4.50 3.04 0.12 -0.70 114.94 128.12 1n0x s ASN 52 Ca -0.02 -1.03 0.14 0.00 0.04 0.00 0.00 52.86 51.99 1n0x s ASN 52 Cb -0.02 -2.14 1.00 0.00 -1.54 0.00 0.00 41.25 38.55 1n0x s ASN 52 CO -0.00 -0.49 1.93 -0.65 -3.04 0.00 0.00 177.10 174.85 1n0x h PRO 52 N 8.62 0.46 0.41 0.43 0.11 -1.83 0.26 132.00 140.45 1n0x h PRO 52 Ca -0.27 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1n0x h PRO 52 Cb 1.11 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1n0x h PRO 52 CO 0.75 0.30 -0.20 -0.92 -0.21 0.00 0.00 178.00 177.73 1n0x h TYR 53 N 0.47 -0.51 -0.01 0.65 3.20 -1.88 -3.36 116.97 115.53 1n0x h TYR 53 Ca 0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1n0x h TYR 53 Cb 0.72 0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1n0x h TYR 53 CO -0.00 -0.23 -0.32 0.27 -1.64 0.00 0.00 178.16 176.24 1n0x n ASN 54 N -5.26 1.28 0.00 -2.11 0.23 -1.19 -4.99 115.26 103.22 1n0x n ASN 54 Ca -0.11 -1.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.80 1n0x n ASN 54 Cb 0.27 0.56 0.00 0.00 -2.08 0.00 0.00 39.78 38.53 1n0x n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n0x n GLY 55 N 1.07 0.58 3.76 4.83 0.00 0.89 -5.01 105.19 111.31 1n0x n GLY 55 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1n0x n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n0x s ASN 56 N -2.13 6.00 0.04 1.61 0.01 -1.22 -4.74 114.94 114.52 1n0x s ASN 56 Ca 0.00 2.53 -0.08 0.00 -0.71 0.00 0.00 52.86 54.60 1n0x s ASN 56 Cb 0.00 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 39.04 1n0x s ASN 56 CO 0.00 -1.05 0.16 -0.54 -1.51 0.00 0.00 177.10 174.15 1n0x s LYS 57 N -2.59 0.66 -0.02 -0.60 1.02 -1.26 0.11 119.74 117.07 1n0x s LYS 57 Ca 0.63 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.93 1n0x s LYS 57 Cb -0.35 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 1n0x s LYS 57 CO 0.42 -0.18 -0.06 -2.00 -0.92 0.00 0.00 175.35 172.61 1n0x s GLU 58 N -2.68 0.61 0.09 1.68 2.12 -0.72 -4.99 118.70 114.81 1n0x s GLU 58 Ca -0.04 -0.19 0.10 0.00 0.36 0.00 0.00 54.97 55.20 1n0x s GLU 58 Cb -0.01 -0.61 -0.04 0.00 0.26 0.00 0.00 34.13 33.74 1n0x s GLU 58 CO -0.05 0.07 -0.25 -0.06 -0.54 0.00 0.00 175.26 174.43 1n0x s PHE 59 N 0.19 2.36 0.51 5.30 0.40 -1.26 -1.25 117.98 124.22 1n0x s PHE 59 Ca -0.02 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 55.74 1n0x s PHE 59 Cb -0.06 -1.32 -0.07 0.00 0.51 0.00 0.00 43.02 42.07 1n0x s PHE 59 CO -0.00 0.27 1.11 0.45 0.70 0.00 0.00 175.22 177.75 1n0x s SER 60 N -1.75 6.01 0.54 1.36 0.15 -0.11 -4.86 113.70 115.04 1n0x s SER 60 Ca 0.14 2.14 0.21 0.00 0.70 0.00 0.00 55.95 59.13 1n0x s SER 60 Cb -0.10 -2.58 1.42 0.00 -1.71 0.00 0.00 66.02 63.05 1n0x s SER 60 CO 0.05 -1.02 2.15 0.00 1.20 0.00 0.00 173.24 175.62 1n0x h ALA 61 N 1.52 1.95 0.00 5.45 0.00 -1.94 -1.85 119.26 124.40 1n0x h ALA 61 Ca -0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1n0x h ALA 61 Cb 1.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1n0x h ALA 61 CO 0.58 -0.09 -0.00 0.87 0.00 0.00 0.00 179.25 180.61 1n0x h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.94 -3.19 116.57 113.01 1n0x h LYS 62 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1n0x h LYS 62 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1n0x h LYS 62 CO -0.00 0.00 -0.04 1.19 -0.57 0.00 0.00 179.45 180.03 1n0x n PHE 63 N -3.09 0.00 -0.33 -1.35 3.01 -0.74 -4.86 117.46 110.10 1n0x n PHE 63 Ca 0.01 -0.65 0.20 0.00 1.01 0.00 0.00 57.45 58.02 1n0x n PHE 63 Cb 0.33 -0.09 0.41 0.00 -0.01 0.00 0.00 39.48 40.12 1n0x n PHE 63 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1n0x h GLN 64 N 0.00 0.32 0.00 -1.08 5.75 -1.41 -3.13 115.11 115.55 1n0x h GLN 64 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1n0x h GLN 64 Cb 0.84 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1n0x h GLN 64 CO 0.00 0.21 -0.86 -0.25 -2.65 0.00 0.00 178.83 175.28 1n0x n ASP 65 N -5.07 1.25 -0.71 -0.69 8.00 -1.26 -4.68 116.55 113.39 1n0x n ASP 65 Ca 0.28 -0.47 0.07 0.00 0.71 0.00 0.00 54.79 55.38 1n0x n ASP 65 Cb 0.87 1.18 0.15 0.00 -0.02 0.00 0.00 41.12 43.31 1n0x n ASP 65 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1n0x n ARG 66 N -1.48 2.33 -4.91 -1.24 1.85 -1.20 -4.96 116.66 107.05 1n0x n ARG 66 Ca 0.01 -1.94 -0.31 0.00 -1.00 0.00 0.00 57.85 54.61 1n0x n ARG 66 Cb 0.21 -1.31 -0.14 0.00 -1.05 0.00 0.00 32.46 30.17 1n0x n ARG 66 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1n0x s VAL 67 N -1.03 2.43 -0.11 8.89 0.11 -1.19 -1.09 120.40 128.40 1n0x s VAL 67 Ca 0.25 -1.19 0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1n0x s VAL 67 Cb 0.14 -1.95 0.02 0.00 -1.53 0.00 0.00 36.38 33.05 1n0x s VAL 67 CO 0.19 0.43 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.36 1n0x s THR 68 N -0.79 1.40 -0.16 5.04 2.01 -0.08 -4.96 115.64 118.09 1n0x s THR 68 Ca 0.12 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 1n0x s THR 68 Cb -0.10 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1n0x s THR 68 CO 0.02 0.42 0.06 -0.36 -0.69 0.00 0.00 174.62 174.08 1n0x s PHE 69 N 1.16 3.28 0.04 4.92 2.99 -1.26 -0.97 117.98 128.15 1n0x s PHE 69 Ca -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 56.93 57.03 1n0x s PHE 69 Cb -0.14 -2.02 -0.03 0.00 0.00 0.00 0.00 43.02 40.83 1n0x s PHE 69 CO -0.04 0.28 -0.02 0.95 -0.00 0.00 0.00 175.22 176.39 1n0x s THR 70 N -0.00 0.19 -0.01 0.64 -4.23 -0.86 -4.99 115.64 106.37 1n0x s THR 70 Ca 0.06 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1n0x s THR 70 Cb -0.12 -1.21 -0.00 0.00 1.34 0.00 0.00 72.50 72.51 1n0x s THR 70 CO 0.01 -0.86 0.03 0.00 -0.54 0.00 0.00 174.62 173.26 1n0x s ALA 71 N -3.32 -0.06 -0.51 3.99 0.00 -1.26 0.42 121.76 121.02 1n0x s ALA 71 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1n0x s ALA 71 Cb 0.04 -0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.27 1n0x s ALA 71 CO -0.08 -0.05 0.26 0.34 0.00 0.00 0.00 175.76 176.23 1n0x s ASP 72 N -0.30 4.24 0.62 0.00 -1.08 0.62 -4.95 116.67 115.83 1n0x s ASP 72 Ca -0.03 -2.97 0.36 0.00 -0.52 0.00 0.00 52.55 49.38 1n0x s ASP 72 Cb -0.02 -1.58 1.98 0.00 -1.46 0.00 0.00 42.92 41.84 1n0x s ASP 72 CO -0.00 -0.23 2.11 0.71 0.52 0.00 0.00 175.17 178.27 1n0x h THR 73 N 5.47 0.00 -0.06 1.71 1.35 -1.89 0.69 112.91 120.19 1n0x h THR 73 Ca -0.07 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.63 1n0x h THR 73 Cb 0.89 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1n0x h THR 73 CO 0.67 0.00 -0.64 -1.28 -0.25 0.00 0.00 175.52 174.02 1n0x h SER 74 N 0.00 0.27 -0.08 5.36 0.87 -1.94 -3.22 113.55 114.81 1n0x h SER 74 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1n0x h SER 74 Cb 0.26 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1n0x h SER 74 CO 0.00 0.84 0.00 0.00 -0.53 0.00 0.00 176.83 177.14 1n0x n ALA 75 N -2.47 2.43 -3.79 6.23 0.00 -0.17 -4.98 120.51 117.75 1n0x n ALA 75 Ca -0.03 -0.70 -0.26 0.00 0.00 0.00 0.00 53.44 52.45 1n0x n ALA 75 Cb 0.64 -0.42 0.04 0.00 0.00 0.00 0.00 19.45 19.71 1n0x n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n0x n ASN 76 N 0.66 -3.98 -4.15 0.00 5.03 0.06 -4.76 115.26 108.12 1n0x n ASN 76 Ca 0.08 -0.74 -0.24 0.00 0.87 0.00 0.00 54.58 54.55 1n0x n ASN 76 Cb 0.33 -4.17 -0.15 0.00 -1.02 0.00 0.00 39.78 34.76 1n0x n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1n0x s THR 77 N -3.40 1.28 0.08 3.41 2.01 -1.09 -0.54 115.64 117.38 1n0x s THR 77 Ca 0.45 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.81 1n0x s THR 77 Cb -0.22 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1n0x s THR 77 CO 0.81 0.35 -0.16 0.00 -0.69 0.00 0.00 174.62 174.93 1n0x s ALA 78 N -0.40 2.73 0.18 7.40 0.00 0.25 -0.27 121.76 131.64 1n0x s ALA 78 Ca 0.06 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 50.85 1n0x s ALA 78 Cb -0.06 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1n0x s ALA 78 CO -0.01 0.60 -0.15 0.71 0.00 0.00 0.00 175.76 176.92 1n0x s TYR 79 N -1.07 1.64 -0.04 0.00 1.51 0.17 -0.26 117.35 119.30 1n0x s TYR 79 Ca 0.17 -0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1n0x s TYR 79 Cb -0.11 -0.79 0.03 0.00 -0.11 0.00 0.00 41.96 40.98 1n0x s TYR 79 CO 0.09 0.30 0.05 1.41 -1.11 0.00 0.00 175.55 176.29 1n0x s MET 80 N -3.37 -0.01 -0.16 -0.62 1.75 -0.44 -2.04 119.30 114.41 1n0x s MET 80 Ca 0.19 0.34 -0.02 0.00 -1.25 0.00 0.00 55.69 54.95 1n0x s MET 80 Cb -0.02 -0.54 -0.01 0.00 2.84 0.00 0.00 34.83 37.10 1n0x s MET 80 CO 0.06 -0.31 -0.10 -2.00 -0.65 0.00 0.00 175.02 172.01 1n0x s GLU 81 N 2.07 3.39 -0.22 4.11 2.12 -0.14 -1.12 118.70 128.91 1n0x s GLU 81 Ca 0.04 -0.66 -0.01 0.00 0.36 0.00 0.00 54.97 54.70 1n0x s GLU 81 Cb -0.12 -2.77 0.01 0.00 0.26 0.00 0.00 34.13 31.52 1n0x s GLU 81 CO -0.03 0.07 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.49 1n0x s LEU 82 N 0.74 2.75 0.48 2.70 2.96 -0.07 -0.91 118.68 127.34 1n0x s LEU 82 Ca -0.04 -0.65 0.06 0.00 -0.22 0.00 0.00 54.13 53.27 1n0x s LEU 82 Cb -0.15 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.94 1n0x s LEU 82 CO 0.02 -0.05 0.66 -0.13 -1.32 0.00 0.00 176.35 175.53 1n0x s ARG 82 N 1.36 2.68 -1.29 1.98 0.52 -0.25 -1.57 118.95 122.37 1n0x s ARG 82 Ca 0.03 -1.11 -0.16 0.00 -0.52 0.00 0.00 55.73 53.98 1n0x s ARG 82 Cb -0.15 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 32.68 1n0x s ARG 82 CO -0.07 -0.48 0.54 0.43 0.02 0.00 0.00 175.30 175.74 1n0x n SER 82 N -2.06 -2.65 -4.76 0.23 7.64 -1.16 -4.88 113.62 105.98 1n0x n SER 82 Ca 0.09 -1.13 -0.39 0.00 1.01 0.00 0.00 58.87 58.45 1n0x n SER 82 Cb 0.59 -2.59 0.02 0.00 -1.01 0.00 0.00 64.21 61.22 1n0x n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n0x s LEU 82 N -7.01 4.05 0.18 -3.43 1.43 -0.02 -4.64 118.68 109.25 1n0x s LEU 82 Ca 0.27 2.76 0.02 0.00 -1.03 0.00 0.00 54.13 56.16 1n0x s LEU 82 Cb -0.12 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 1n0x s LEU 82 CO 0.92 -1.20 -0.01 0.00 0.23 0.00 0.00 176.35 176.29 1n0x s ARG 83 N -2.56 1.14 0.30 1.70 1.70 -1.26 0.43 118.95 120.40 1n0x s ARG 83 Ca 0.63 -1.55 0.04 0.00 -0.47 0.00 0.00 55.73 54.39 1n0x s ARG 83 Cb -0.40 -0.37 0.77 0.00 -0.57 0.00 0.00 34.95 34.38 1n0x s ARG 83 CO 0.50 -0.10 1.67 0.66 -1.08 0.00 0.00 175.30 176.95 1n0x h SER 84 N 2.67 0.19 0.16 -2.89 4.64 -1.97 0.13 113.55 116.48 1n0x h SER 84 Ca -0.37 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1n0x h SER 84 Cb 1.21 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1n0x h SER 84 CO 0.63 -0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 1n0x n ALA 85 N -2.57 1.22 1.60 5.18 0.00 -1.26 -0.93 120.51 123.75 1n0x n ALA 85 Ca 0.23 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.80 1n0x n ALA 85 Cb 0.71 -1.08 0.68 0.00 0.00 0.00 0.00 19.45 19.76 1n0x n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n0x n ASP 86 N -1.49 0.68 -4.64 0.00 8.00 0.47 -4.80 116.55 114.76 1n0x n ASP 86 Ca 0.01 -1.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.08 1n0x n ASP 86 Cb 0.05 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1n0x n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1n0x s THR 87 N -2.19 3.42 -0.04 -3.53 2.01 -0.11 -4.84 115.64 110.37 1n0x s THR 87 Ca 0.37 0.50 -0.27 0.00 0.31 0.00 0.00 61.69 62.59 1n0x s THR 87 Cb 0.21 -3.38 0.09 0.00 0.01 0.00 0.00 72.50 69.42 1n0x s THR 87 CO 0.40 -0.12 1.23 0.00 -0.69 0.00 0.00 174.62 175.45 1n0x n ALA 88 N 8.21 -3.50 -2.75 7.40 0.00 -0.66 -4.35 120.51 124.86 1n0x n ALA 88 Ca 0.20 -0.73 -0.36 0.00 0.00 0.00 0.00 53.44 52.55 1n0x n ALA 88 Cb 0.43 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1n0x n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n0x s VAL 89 N -2.02 5.10 -0.25 0.00 1.01 -0.78 -0.94 120.40 122.52 1n0x s VAL 89 Ca 0.29 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 1n0x s VAL 89 Cb -0.01 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1n0x s VAL 89 CO -0.01 0.38 0.12 -0.31 0.00 0.00 0.00 175.10 175.28 1n0x s TYR 90 N 0.93 3.18 0.08 5.22 1.51 0.39 -1.12 117.35 127.53 1n0x s TYR 90 Ca 0.06 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.08 1n0x s TYR 90 Cb -0.13 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.40 1n0x s TYR 90 CO 0.03 -0.19 -0.04 0.71 -1.11 0.00 0.00 175.55 174.95 1n0x s TYR 91 N 1.50 2.89 0.14 2.71 2.02 0.26 -1.06 117.35 125.80 1n0x s TYR 91 Ca 0.06 -0.07 0.09 0.00 -0.37 0.00 0.00 57.07 56.79 1n0x s TYR 91 Cb -0.15 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1n0x s TYR 91 CO 0.06 0.45 -0.18 0.00 -1.57 0.00 0.00 175.55 174.31 1n0x s ALA 93 N -1.28 -1.15 0.04 0.00 0.00 0.04 -1.08 121.76 118.33 1n0x s ALA 93 Ca 0.19 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 1n0x s ALA 93 Cb -0.10 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.60 1n0x s ALA 93 CO 0.10 -0.26 0.39 0.50 0.00 0.00 0.00 175.76 176.50 1n0x s ARG 94 N -0.52 3.81 1.05 0.00 3.52 -0.34 0.26 118.95 126.73 1n0x s ARG 94 Ca -0.06 0.26 -0.15 0.00 -0.13 0.00 0.00 55.73 55.65 1n0x s ARG 94 Cb -0.03 -3.09 0.21 0.00 -1.56 0.00 0.00 34.95 30.48 1n0x s ARG 94 CO 0.03 0.62 1.13 0.14 -0.81 0.00 0.00 175.30 176.41 1n0x s VAL 95 N -1.26 1.87 0.80 7.11 -7.23 -0.91 -1.24 120.40 119.54 1n0x s VAL 95 Ca 0.29 0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 60.37 1n0x s VAL 95 Cb -0.15 -2.59 0.12 0.00 0.56 0.00 0.00 36.38 34.32 1n0x s VAL 95 CO 0.16 0.00 1.12 -0.83 -0.31 0.00 0.00 175.10 175.24 1n0x s GLY 96 N -3.84 1.73 0.50 2.32 0.00 -0.11 -4.58 107.32 103.33 1n0x s GLY 96 Ca 0.68 -1.17 -0.23 0.00 0.00 0.00 0.00 44.72 43.99 1n0x s GLY 96 CO 0.56 -0.61 1.36 2.56 0.00 0.00 0.00 173.10 176.97 1n0x s PRO 97 N -5.45 3.42 0.21 2.90 0.04 -1.26 -4.88 135.00 129.97 1n0x s PRO 97 Ca 0.66 2.26 0.06 0.00 0.04 0.00 0.00 61.00 64.02 1n0x s PRO 97 Cb -0.07 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1n0x s PRO 97 CO 0.48 -0.98 0.17 -0.47 0.04 0.00 0.00 177.00 176.24 1n0x s TYR 98 N -1.28 3.14 -0.11 0.56 5.04 -1.26 -4.81 117.35 118.62 1n0x s TYR 98 Ca 0.66 -0.06 -0.06 0.00 -2.44 0.00 0.00 57.07 55.17 1n0x s TYR 98 Cb -0.41 -1.46 0.05 0.00 0.35 0.00 0.00 41.96 40.49 1n0x s TYR 98 CO 0.50 0.52 0.27 0.45 -1.34 0.00 0.00 175.55 175.95 1n0x s SER 99 N -3.49 -0.30 0.00 4.32 0.15 -1.26 -5.06 113.70 108.06 1n0x s SER 99 Ca 0.32 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1n0x s SER 99 Cb -0.09 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1n0x s SER 99 CO 0.24 -0.16 0.00 -2.67 1.20 0.00 0.00 173.24 171.85 1n0x n TRP 100 N 4.11 0.00 -0.62 3.44 4.27 -1.26 -4.73 117.44 122.66 1n0x n TRP 100 Ca -0.24 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.37 1n0x n TRP 100 Cb 0.54 -0.09 0.00 0.00 -1.36 0.00 0.00 31.31 30.40 1n0x n TRP 100 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 1n0x n ASP 100 N 1.08 0.00 -4.84 -0.67 8.00 -1.26 -5.03 116.55 113.82 1n0x n ASP 100 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1n0x n ASP 100 Cb 0.00 -0.94 0.02 0.00 -0.02 0.00 0.00 41.12 40.18 1n0x n ASP 100 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1n0x s SER 100 N -2.52 5.92 0.13 -2.24 0.01 -1.26 -4.95 113.70 108.79 1n0x s SER 100 Ca 0.00 1.55 -0.35 0.00 1.31 0.00 0.00 55.95 58.46 1n0x s SER 100 Cb 0.00 -2.49 -0.15 0.00 0.21 0.00 0.00 66.02 63.59 1n0x s SER 100 CO 0.00 -1.08 1.44 -2.65 0.41 0.00 0.00 173.24 171.37 1n0x n PRO 100 N -2.68 1.65 -1.39 12.44 -0.02 -1.26 -1.93 135.00 141.81 1n0x n PRO 100 Ca 0.07 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1n0x n PRO 100 Cb 0.54 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1n0x n PRO 100 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n0x n GLN 100 N 2.87 -1.26 0.26 -0.52 6.02 -1.26 -4.85 117.38 118.63 1n0x n GLN 100 Ca 0.17 0.95 0.13 0.00 -0.01 0.00 0.00 57.00 58.25 1n0x n GLN 100 Cb 0.24 -5.16 0.69 0.00 1.02 0.00 0.00 30.24 27.03 1n0x n GLN 100 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1n0x h ASP 100 N 0.00 0.00 -3.51 1.08 3.45 -1.76 -3.43 116.42 112.25 1n0x h ASP 100 Ca -0.27 0.00 -0.77 0.00 0.43 0.00 0.00 57.03 56.42 1n0x h ASP 100 Cb 1.04 0.00 -0.26 0.00 -0.56 0.00 0.00 39.33 39.55 1n0x h ASP 100 CO 0.40 0.12 -0.09 0.54 -1.57 0.00 0.00 179.24 178.65 1n0x s ASN 100 N -6.03 6.38 0.00 6.45 4.22 -1.26 -5.04 114.94 119.66 1n0x s ASN 100 Ca -0.02 -2.29 0.00 0.00 -2.14 0.00 0.00 52.86 48.42 1n0x s ASN 100 Cb 0.12 -2.18 0.00 0.00 1.28 0.00 0.00 41.25 40.47 1n0x s ASN 100 CO 0.58 -0.68 0.00 0.00 -2.04 0.00 0.00 177.10 174.95 1n0x n TYR 100 N 4.52 0.00 -3.02 1.54 0.18 -1.26 -0.94 117.16 118.18 1n0x n TYR 100 Ca 0.01 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.34 1n0x n TYR 100 Cb 0.43 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.38 1n0x n TYR 100 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1n0x s MET 100 N -1.55 3.76 0.06 -3.48 -1.94 -1.26 -3.98 119.30 110.92 1n0x s MET 100 Ca 0.00 -2.17 -0.25 0.00 -1.71 0.00 0.00 55.69 51.56 1n0x s MET 100 Cb 0.00 -4.85 -0.16 0.00 2.01 0.00 0.00 34.83 31.82 1n0x s MET 100 CO 0.00 -1.66 1.62 0.22 -0.01 0.00 0.00 175.02 175.18 1n0x h ASP 101 N 8.12 -0.15 -3.35 3.03 -0.00 -1.42 -3.43 116.42 119.22 1n0x h ASP 101 Ca 0.19 -0.08 -0.49 0.00 -0.00 0.00 0.00 57.03 56.66 1n0x h ASP 101 Cb 0.98 0.04 -0.35 0.00 -0.00 0.00 0.00 39.33 40.00 1n0x h ASP 101 CO 1.08 -0.02 -0.80 -0.69 -0.00 0.00 0.00 179.24 178.82 1n0x s VAL 102 N -5.78 0.89 0.08 2.25 1.01 -1.12 -4.98 120.40 112.76 1n0x s VAL 102 Ca -0.14 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1n0x s VAL 102 Cb 0.05 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1n0x s VAL 102 CO 0.65 0.32 0.10 0.26 0.00 0.00 0.00 175.10 176.43 1n0x s TRP 103 N 1.13 3.23 0.78 5.22 0.52 -1.26 -1.20 118.94 127.36 1n0x s TRP 103 Ca -0.06 0.09 -0.09 0.00 0.02 0.00 0.00 56.10 56.06 1n0x s TRP 103 Cb -0.14 -1.63 0.10 0.00 -1.15 0.00 0.00 33.47 30.65 1n0x s TRP 103 CO -0.01 0.53 1.10 0.20 0.02 0.00 0.00 176.95 178.79 1n0x s GLY 104 N -2.45 1.70 0.23 0.98 0.00 -0.24 -4.69 107.32 102.84 1n0x s GLY 104 Ca 0.30 -1.03 0.25 0.00 0.00 0.00 0.00 44.72 44.24 1n0x s GLY 104 CO 0.23 -0.51 1.75 0.28 0.00 0.00 0.00 173.10 174.84 1n0x n LYS 105 N -3.15 0.23 0.00 2.90 4.01 -1.26 -4.77 118.16 116.12 1n0x n LYS 105 Ca 0.10 0.31 0.00 0.00 -0.51 0.00 0.00 58.31 58.21 1n0x n LYS 105 Cb 0.60 -1.83 0.00 0.00 -0.51 0.00 0.00 35.03 33.29 1n0x n LYS 105 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1n0x n GLY 106 N 0.71 0.55 3.06 0.72 0.00 -1.26 -5.02 105.19 103.95 1n0x n GLY 106 Ca 0.04 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 1n0x n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n0x s THR 107 N -2.71 1.64 0.12 2.61 2.01 -0.23 -4.90 115.64 114.18 1n0x s THR 107 Ca 0.00 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1n0x s THR 107 Cb 0.00 -1.50 -0.06 0.00 0.01 0.00 0.00 72.50 70.95 1n0x s THR 107 CO 0.00 0.47 1.00 -0.89 -0.69 0.00 0.00 174.62 174.51 1n0x s THR 108 N 1.21 4.36 -0.13 -0.82 2.01 -1.26 -0.46 115.64 120.54 1n0x s THR 108 Ca -0.01 1.94 -0.00 0.00 0.31 0.00 0.00 61.69 63.93 1n0x s THR 108 Cb -0.14 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 68.16 1n0x s THR 108 CO -0.06 0.29 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.40 1n0x s VAL 109 N 0.06 1.05 -0.20 3.82 1.01 -0.12 -0.30 120.40 125.71 1n0x s VAL 109 Ca 0.48 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 1n0x s VAL 109 Cb -0.25 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1n0x s VAL 109 CO 0.31 0.28 0.05 -0.63 0.00 0.00 0.00 175.10 175.11 1n0x s ILE 110 N 1.68 4.53 -0.25 2.22 -1.09 -0.16 -1.65 121.20 126.48 1n0x s ILE 110 Ca 0.03 -0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.32 1n0x s ILE 110 Cb -0.13 -3.06 0.03 0.00 -1.58 0.00 0.00 42.46 37.71 1n0x s ILE 110 CO -0.08 0.42 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.31 1n0x s VAL 111 N 0.80 2.95 0.04 2.92 1.01 -1.26 -0.11 120.40 126.76 1n0x s VAL 111 Ca 0.03 -1.02 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 1n0x s VAL 111 Cb -0.14 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.81 1n0x s VAL 111 CO 0.02 0.18 0.67 -0.55 0.00 0.00 0.00 175.10 175.42 1n0x s SER 112 N 1.33 -0.59 0.00 3.32 0.15 -0.27 -4.44 113.70 113.20 1n0x s SER 112 Ca 0.00 0.33 0.26 0.00 0.70 0.00 0.00 55.95 57.25 1n0x s SER 112 Cb -0.17 0.55 0.78 0.00 -1.71 0.00 0.00 66.02 65.47 1n0x s SER 112 CO -0.04 -0.76 1.59 -1.54 1.20 0.00 0.00 173.24 173.69 1n0x n SER 113 N 0.24 0.54 -4.71 5.45 3.41 -1.26 -3.97 113.62 113.33 1n0x n SER 113 Ca -0.17 -0.34 -0.38 0.00 -0.26 0.00 0.00 58.87 57.73 1n0x n SER 113 Cb 0.61 0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.69 1n0x n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n0x n ALA 114 N -1.22 1.06 -2.78 7.33 0.00 -1.26 -5.02 120.51 118.61 1n0x n ALA 114 Ca 0.09 0.03 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 1n0x n ALA 114 Cb 0.33 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 1n0x n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n0x s SER 115 N -1.24 5.51 0.17 0.00 1.04 -1.26 -5.03 113.70 112.89 1n0x s SER 115 Ca 0.79 -0.08 -0.34 0.00 0.48 0.00 0.00 55.95 56.80 1n0x s SER 115 Cb -0.40 -1.45 -0.14 0.00 0.10 0.00 0.00 66.02 64.13 1n0x s SER 115 CO 0.44 0.12 1.44 0.41 0.98 0.00 0.00 173.24 176.62 1n0x n THR 116 N 0.04 0.37 -3.70 2.02 -1.04 -1.26 -4.71 114.28 106.01 1n0x n THR 116 Ca -0.08 -0.09 -0.11 0.00 -2.04 0.00 0.00 64.05 61.72 1n0x n THR 116 Cb 0.53 -1.30 -0.10 0.00 -1.82 0.00 0.00 70.33 67.64 1n0x n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1n0x s LYS 117 N 0.30 0.45 0.58 -2.82 2.20 0.31 -4.94 119.74 115.81 1n0x s LYS 117 Ca 0.76 0.79 -0.16 0.00 -0.36 0.00 0.00 55.97 57.00 1n0x s LYS 117 Cb -0.74 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 35.59 1n0x s LYS 117 CO 0.45 -0.14 1.04 0.20 -0.36 0.00 0.00 175.35 176.54 1n0x s GLY 118 N 1.15 2.12 0.47 5.54 0.00 -1.26 -1.04 107.32 114.29 1n0x s GLY 118 Ca -0.07 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 44.84 1n0x s GLY 118 CO -0.10 0.66 0.92 2.56 0.00 0.00 0.00 173.10 177.14 1n0x s PRO 119 N -4.06 3.96 -0.03 2.90 0.04 -1.26 -4.56 135.00 131.98 1n0x s PRO 119 Ca 0.63 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 1n0x s PRO 119 Cb -0.15 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1n0x s PRO 119 CO 0.36 -0.16 0.31 -1.12 0.04 0.00 0.00 177.00 176.42 1n0x s SER 120 N -2.91 6.63 -0.20 6.66 0.01 -0.35 -4.91 113.70 118.63 1n0x s SER 120 Ca 0.57 0.75 -0.02 0.00 1.31 0.00 0.00 55.95 58.57 1n0x s SER 120 Cb -0.10 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1n0x s SER 120 CO 0.28 0.34 -0.11 -0.69 0.41 0.00 0.00 173.24 173.46 1n0x s VAL 121 N -1.11 2.77 0.00 3.43 1.01 -1.26 -1.20 120.40 124.05 1n0x s VAL 121 Ca 0.22 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1n0x s VAL 121 Cb -0.15 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1n0x s VAL 121 CO 0.11 0.48 -0.15 -0.36 0.00 0.00 0.00 175.10 175.17 1n0x s PHE 122 N 1.39 2.65 0.38 5.22 0.40 0.26 -4.95 117.98 123.33 1n0x s PHE 122 Ca 0.05 -0.20 -0.24 0.00 -0.60 0.00 0.00 56.93 55.95 1n0x s PHE 122 Cb -0.14 -1.54 -0.10 0.00 0.51 0.00 0.00 43.02 41.75 1n0x s PHE 122 CO -0.08 0.24 0.97 -1.25 0.70 0.00 0.00 175.22 175.80 1n0x s PRO 123 N -1.17 4.33 -0.66 0.24 0.04 -1.26 0.10 135.00 136.62 1n0x s PRO 123 Ca 0.14 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1n0x s PRO 123 Cb -0.11 -2.49 0.16 0.00 0.04 0.00 0.00 34.50 32.11 1n0x s PRO 123 CO 0.04 0.05 0.46 -0.51 0.04 0.00 0.00 177.00 177.07 1n0x s LEU 124 N -2.64 4.90 0.36 -3.56 1.43 0.93 -4.79 118.68 115.31 1n0x s LEU 124 Ca 0.57 -3.31 -0.28 0.00 -1.03 0.00 0.00 54.13 50.07 1n0x s LEU 124 Cb -0.16 -1.74 -0.11 0.00 0.03 0.00 0.00 46.19 44.21 1n0x s LEU 124 CO 0.21 -0.22 1.45 0.00 0.23 0.00 0.00 176.35 178.01 1n0x s ALA 125 N -0.72 3.57 0.50 4.21 0.00 -1.26 -0.99 121.76 127.07 1n0x s ALA 125 Ca 0.21 1.49 -0.19 0.00 0.00 0.00 0.00 51.96 53.47 1n0x s ALA 125 Cb -0.16 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.31 1n0x s ALA 125 CO -0.07 -0.94 1.02 -1.25 0.00 0.00 0.00 175.76 174.52 1n0x s PRO 126 N -1.89 3.78 0.00 0.00 0.04 -1.25 -4.84 135.00 130.84 1n0x s PRO 126 Ca 0.53 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1n0x s PRO 126 Cb -0.45 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1n0x s PRO 126 CO 0.59 -0.43 0.18 0.45 0.04 0.00 0.00 177.00 177.83 1n0x n SER 127 N -1.22 0.00 0.00 6.66 2.88 -1.26 -4.38 113.62 116.30 1n0x n SER 127 Ca 0.08 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1n0x n SER 127 Cb 0.53 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1n0x n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n0x n GLY 136 N 1.52 1.75 3.33 0.46 0.00 -1.26 -5.02 105.19 105.97 1n0x n GLY 136 Ca 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1n0x n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n0x s THR 137 N 0.00 2.61 0.35 2.61 -4.23 -1.26 -1.94 115.64 113.78 1n0x s THR 137 Ca 0.00 -0.84 0.08 0.00 -1.18 0.00 0.00 61.69 59.75 1n0x s THR 137 Cb 0.00 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 1n0x s THR 137 CO 0.00 0.55 0.28 0.00 -0.54 0.00 0.00 174.62 174.92 1n0x s ALA 138 N 0.10 3.82 -0.00 3.99 0.00 0.12 -4.81 121.76 124.98 1n0x s ALA 138 Ca -0.09 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.17 1n0x s ALA 138 Cb -0.15 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1n0x s ALA 138 CO 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 175.76 175.73 1n0x s ALA 139 N -2.35 0.47 0.23 0.00 0.00 -1.26 -0.70 121.76 118.14 1n0x s ALA 139 Ca 0.42 -0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 1n0x s ALA 139 Cb -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1n0x s ALA 139 CO 0.26 0.11 0.33 -0.48 0.00 0.00 0.00 175.76 175.98 1n0x s LEU 140 N -0.22 0.67 0.00 0.00 0.05 -0.76 -3.91 118.68 114.51 1n0x s LEU 140 Ca 0.01 -1.11 0.00 0.00 0.05 0.00 0.00 54.13 53.08 1n0x s LEU 140 Cb -0.03 1.20 0.00 0.00 -2.05 0.00 0.00 46.19 45.31 1n0x s LEU 140 CO -0.00 -1.01 0.00 0.61 -0.55 0.00 0.00 176.35 175.39 1n0x n GLY 141 N -0.33 0.58 2.91 -3.48 0.00 -0.16 -1.00 105.19 103.70 1n0x n GLY 141 Ca -0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 1n0x n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0x s LEU 143 N 0.57 4.25 -0.49 0.00 2.96 0.12 -1.35 118.68 124.73 1n0x s LEU 143 Ca -0.07 -0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 1n0x s LEU 143 Cb -0.10 -2.34 0.11 0.00 0.50 0.00 0.00 46.19 44.36 1n0x s LEU 143 CO -0.00 -0.25 0.40 -0.69 -1.32 0.00 0.00 176.35 174.48 1n0x s VAL 144 N 2.00 4.67 0.11 1.68 1.01 0.78 -0.58 120.40 130.08 1n0x s VAL 144 Ca 0.12 -1.56 0.09 0.00 0.00 0.00 0.00 61.98 60.63 1n0x s VAL 144 Cb -0.16 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1n0x s VAL 144 CO 0.11 -0.76 -0.20 -0.75 0.00 0.00 0.00 175.10 173.51 1n0x s LYS 145 N 1.48 1.73 -0.99 2.72 2.20 -0.34 -1.06 119.74 125.49 1n0x s LYS 145 Ca 0.04 -1.19 -0.06 0.00 -0.36 0.00 0.00 55.97 54.40 1n0x s LYS 145 Cb -0.27 -2.08 -0.05 0.00 -1.51 0.00 0.00 37.83 33.92 1n0x s LYS 145 CO 0.02 0.48 0.87 -0.25 -0.36 0.00 0.00 175.35 176.11 1n0x n ASP 146 N 0.89 -6.81 -4.42 1.43 8.00 0.11 -1.20 116.55 114.54 1n0x n ASP 146 Ca -0.16 -0.60 -0.21 0.00 0.71 0.00 0.00 54.79 54.53 1n0x n ASP 146 Cb 0.53 -5.13 -0.10 0.00 -0.02 0.00 0.00 41.12 36.39 1n0x n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1n0x s TYR 147 N -3.31 1.93 -0.28 1.24 1.13 -0.87 -4.30 117.35 112.88 1n0x s TYR 147 Ca 0.37 -0.70 -0.21 0.00 -1.41 0.00 0.00 57.07 55.12 1n0x s TYR 147 Cb -0.05 -1.09 0.10 0.00 -1.10 0.00 0.00 41.96 39.82 1n0x s TYR 147 CO 0.75 0.27 0.86 0.12 -2.51 0.00 0.00 175.55 175.04 1n0x s PHE 148 N -3.02 -0.72 0.01 -3.49 5.36 -0.21 -0.45 117.98 115.46 1n0x s PHE 148 Ca 0.29 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 1n0x s PHE 148 Cb 0.04 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.13 1n0x s PHE 148 CO 0.12 -0.35 0.01 -0.35 -1.46 0.00 0.00 175.22 173.18 1n0x n PRO 149 N 3.22 0.72 -1.58 10.12 -0.04 -1.26 -0.53 135.00 145.65 1n0x n PRO 149 Ca -0.16 -0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 62.95 1n0x n PRO 149 Cb 0.57 -0.01 0.05 0.00 -0.04 0.00 0.00 33.50 34.08 1n0x n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1n0x s GLU 150 N -2.30 2.86 0.48 0.54 2.02 -1.26 -4.76 118.70 116.28 1n0x s GLU 150 Ca 0.01 0.91 0.06 0.00 0.02 0.00 0.00 54.97 55.97 1n0x s GLU 150 Cb -0.00 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 32.24 1n0x s GLU 150 CO 0.01 -1.14 0.27 -1.25 0.02 0.00 0.00 175.26 173.16 1n0x s PRO 151 N -5.06 2.26 0.14 0.39 0.04 -1.26 -5.00 135.00 126.51 1n0x s PRO 151 Ca 0.58 -1.97 0.09 0.00 0.04 0.00 0.00 61.00 59.75 1n0x s PRO 151 Cb -0.14 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1n0x s PRO 151 CO 0.55 -0.37 -0.22 0.14 0.04 0.00 0.00 177.00 177.14 1n0x s VAL 152 N -2.70 1.96 0.08 -0.36 -7.23 -1.26 -4.50 120.40 106.38 1n0x s VAL 152 Ca 0.34 -1.76 0.08 0.00 -1.81 0.00 0.00 61.98 58.83 1n0x s VAL 152 Cb 0.00 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1n0x s VAL 152 CO 0.20 -0.10 -0.18 0.42 -0.31 0.00 0.00 175.10 175.13 1n0x s THR 153 N -1.43 2.79 -0.02 5.32 -4.23 -0.26 -4.97 115.64 112.84 1n0x s THR 153 Ca 0.13 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1n0x s THR 153 Cb -0.09 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.54 1n0x s THR 153 CO 0.06 0.22 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.63 1n0x s VAL 154 N -1.03 0.48 0.24 2.29 1.01 -1.26 -1.67 120.40 120.47 1n0x s VAL 154 Ca 0.16 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1n0x s VAL 154 Cb -0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 1n0x s VAL 154 CO 0.07 0.18 0.10 -0.94 0.00 0.00 0.00 175.10 174.51 1n0x s SER 156 N 0.44 0.99 -0.06 3.32 1.04 -0.49 -4.96 113.70 113.97 1n0x s SER 156 Ca -0.05 -1.37 0.04 0.00 0.48 0.00 0.00 55.95 55.04 1n0x s SER 156 Cb -0.09 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1n0x s SER 156 CO -0.00 -0.74 -0.18 0.26 0.98 0.00 0.00 173.24 173.56 1n0x s TRP 157 N -3.83 1.82 -1.42 5.02 0.52 -1.26 -0.41 118.94 119.39 1n0x s TRP 157 Ca 0.37 -0.59 -0.03 0.00 0.02 0.00 0.00 56.10 55.88 1n0x s TRP 157 Cb 0.08 -1.24 0.02 0.00 -1.15 0.00 0.00 33.47 31.18 1n0x s TRP 157 CO 0.13 -0.23 0.56 0.09 0.02 0.00 0.00 176.95 177.52 1n0x n ASN 162 N 3.32 -1.09 -2.25 2.95 3.02 0.08 -1.01 115.26 120.28 1n0x n ASN 162 Ca -0.19 -0.94 -0.15 0.00 -0.03 0.00 0.00 54.58 53.27 1n0x n ASN 162 Cb 0.53 -3.34 -0.02 0.00 -0.61 0.00 0.00 39.78 36.34 1n0x n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1n0x n SER 163 N -2.97 -4.39 0.00 6.41 7.64 -1.26 -0.79 113.62 118.26 1n0x n SER 163 Ca -0.25 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1n0x n SER 163 Cb 0.66 -3.76 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 1n0x n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n0x n GLY 164 N -0.76 0.63 0.23 0.23 0.00 -0.18 -4.91 105.19 100.43 1n0x n GLY 164 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1n0x n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0x h ALA 165 N 0.00 1.08 -3.23 4.61 0.00 -0.87 -3.40 119.26 117.45 1n0x h ALA 165 Ca 0.00 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 54.04 1n0x h ALA 165 Cb 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 17.46 1n0x h ALA 165 CO 0.00 0.26 -0.66 -1.17 0.00 0.00 0.00 179.25 177.67 1n0x s LEU 166 N -6.91 3.86 0.00 0.00 2.96 -1.03 -4.92 118.68 112.64 1n0x s LEU 166 Ca -0.00 -1.01 0.00 0.00 -0.22 0.00 0.00 54.13 52.90 1n0x s LEU 166 Cb 0.11 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 45.01 1n0x s LEU 166 CO 0.62 -0.23 0.00 0.35 -1.32 0.00 0.00 176.35 175.77 1n0x n THR 167 N 4.75 0.00 -2.25 3.68 -2.24 -1.26 -4.17 114.28 112.79 1n0x n THR 167 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1n0x n THR 167 Cb 0.46 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 1n0x n THR 167 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n0x s SER 168 N -3.00 6.91 0.00 3.42 1.04 -1.26 -2.50 113.70 118.32 1n0x s SER 168 Ca 0.00 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.70 1n0x s SER 168 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1n0x s SER 168 CO 0.00 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1n0x n GLY 169 N 3.07 0.86 3.77 7.32 0.00 -1.26 -4.81 105.19 114.14 1n0x n GLY 169 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1n0x n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n0x s VAL 171 N -3.32 4.62 -0.14 1.61 1.01 -1.04 -2.69 120.40 120.45 1n0x s VAL 171 Ca 0.00 1.56 -0.03 0.00 0.00 0.00 0.00 61.98 63.52 1n0x s VAL 171 Cb 0.00 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.35 1n0x s VAL 171 CO 0.00 0.45 0.04 -1.00 0.00 0.00 0.00 175.10 174.59 1n0x s HIS 172 N -0.61 0.67 -0.31 5.22 3.76 0.54 -4.99 115.29 119.57 1n0x s HIS 172 Ca 0.35 -0.46 -0.07 0.00 -0.15 0.00 0.00 55.06 54.74 1n0x s HIS 172 Cb -0.21 -0.85 0.02 0.00 1.11 0.00 0.00 32.58 32.65 1n0x s HIS 172 CO 0.23 -0.48 0.09 0.99 -0.85 0.00 0.00 174.74 174.73 1n0x s THR 173 N 1.97 3.95 0.56 1.30 2.01 -1.26 -0.60 115.64 123.58 1n0x s THR 173 Ca 0.02 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 1n0x s THR 173 Cb -0.15 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1n0x s THR 173 CO -0.07 -0.00 1.03 -0.36 -0.69 0.00 0.00 174.62 174.53 1n0x s PHE 174 N 1.48 3.18 0.54 4.92 0.08 -0.75 -5.01 117.98 122.41 1n0x s PHE 174 Ca 0.01 1.49 -0.21 0.00 0.12 0.00 0.00 56.93 58.34 1n0x s PHE 174 Cb -0.18 -2.92 -0.05 0.00 -0.57 0.00 0.00 43.02 39.30 1n0x s PHE 174 CO 0.03 -0.81 1.29 -2.14 -0.10 0.00 0.00 175.22 173.49 1n0x s PRO 175 N -4.06 3.23 0.66 0.24 0.02 -1.26 -4.60 135.00 129.24 1n0x s PRO 175 Ca 0.62 2.06 -0.12 0.00 0.02 0.00 0.00 61.00 63.58 1n0x s PRO 175 Cb -0.14 -2.23 -0.01 0.00 0.02 0.00 0.00 34.50 32.15 1n0x s PRO 175 CO 0.34 -1.06 1.05 0.00 -0.33 0.00 0.00 177.00 177.00 1n0x s ALA 176 N -1.40 2.78 0.03 -1.55 0.00 -1.26 -4.81 121.76 115.54 1n0x s ALA 176 Ca 0.71 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.86 1n0x s ALA 176 Cb -0.36 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1n0x s ALA 176 CO 0.42 -1.03 -0.24 0.14 0.00 0.00 0.00 175.76 175.05 1n0x s VAL 177 N -2.96 1.94 -0.25 0.00 -7.23 -0.30 -4.94 120.40 106.66 1n0x s VAL 177 Ca 0.58 -1.24 -0.20 0.00 -1.81 0.00 0.00 61.98 59.31 1n0x s VAL 177 Cb -0.14 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1n0x s VAL 177 CO 0.51 0.36 0.63 -0.22 -0.31 0.00 0.00 175.10 176.07 1n0x s LEU 178 N -1.05 4.07 0.62 1.32 2.96 -1.26 -2.01 118.68 123.32 1n0x s LEU 178 Ca 0.10 0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 54.65 1n0x s LEU 178 Cb -0.09 -2.85 0.00 0.00 0.50 0.00 0.00 46.19 43.75 1n0x s LEU 178 CO 0.01 -0.36 0.95 -1.10 -1.32 0.00 0.00 176.35 174.53 1n0x s GLN 179 N 2.47 2.98 0.64 1.98 -0.21 -0.26 -4.94 119.66 122.31 1n0x s GLN 179 Ca 0.26 0.18 0.37 0.00 0.02 0.00 0.00 55.36 56.19 1n0x s GLN 179 Cb -0.15 -2.20 2.09 0.00 1.00 0.00 0.00 33.01 33.75 1n0x s GLN 179 CO 0.09 -0.75 2.27 0.66 -2.12 0.00 0.00 175.29 175.43 1n0x h SER 180 N -0.29 0.00 1.00 5.90 4.64 -1.97 0.12 113.55 122.95 1n0x h SER 180 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1n0x h SER 180 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1n0x h SER 180 CO 0.62 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.35 1n0x h SER 182 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.46 113.55 117.68 1n0x h SER 182 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1n0x h SER 182 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1n0x h SER 182 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1n0x n GLY 183 N 0.39 0.73 3.79 -0.77 0.00 0.42 -4.99 105.19 104.76 1n0x n GLY 183 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1n0x n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n0x s LEU 184 N 0.00 3.79 0.40 0.99 1.43 -1.26 -4.86 118.68 119.18 1n0x s LEU 184 Ca 0.00 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1n0x s LEU 184 Cb 0.00 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1n0x s LEU 184 CO 0.00 0.08 0.60 -0.31 0.23 0.00 0.00 176.35 176.95 1n0x s TYR 185 N -1.69 3.24 -0.13 0.29 1.51 0.41 -1.10 117.35 119.87 1n0x s TYR 185 Ca 0.31 0.13 -0.20 0.00 -1.01 0.00 0.00 57.07 56.30 1n0x s TYR 185 Cb -0.10 -2.16 0.05 0.00 -0.11 0.00 0.00 41.96 39.64 1n0x s TYR 185 CO 0.23 -0.18 0.51 0.45 -1.11 0.00 0.00 175.55 175.44 1n0x s SER 186 N -4.17 -0.49 0.18 2.29 0.15 -0.85 -0.71 113.70 110.09 1n0x s SER 186 Ca 0.46 0.80 -0.19 0.00 0.70 0.00 0.00 55.95 57.73 1n0x s SER 186 Cb -0.10 0.83 0.04 0.00 -1.71 0.00 0.00 66.02 65.08 1n0x s SER 186 CO 0.36 -0.31 0.53 -1.48 1.20 0.00 0.00 173.24 173.54 1n0x s LEU 187 N -0.30 -0.04 0.18 3.45 0.05 -0.22 -1.15 118.68 120.66 1n0x s LEU 187 Ca -0.05 -0.35 0.09 0.00 0.05 0.00 0.00 54.13 53.87 1n0x s LEU 187 Cb -0.03 2.23 -0.04 0.00 -2.05 0.00 0.00 46.19 46.30 1n0x s LEU 187 CO 0.03 -1.02 -0.19 -0.44 -0.55 0.00 0.00 176.35 174.19 1n0x s SER 188 N -2.84 2.80 -0.05 1.48 0.01 -1.26 -0.16 113.70 113.69 1n0x s SER 188 Ca 0.06 -0.89 0.02 0.00 1.31 0.00 0.00 55.95 56.45 1n0x s SER 188 Cb -0.01 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.07 1n0x s SER 188 CO -0.06 -0.03 -0.07 -0.55 0.41 0.00 0.00 173.24 172.94 1n0x s SER 189 N -2.77 1.16 0.24 2.44 0.15 -0.46 -1.81 113.70 112.65 1n0x s SER 189 Ca 0.18 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.69 1n0x s SER 189 Cb -0.05 -0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 1n0x s SER 189 CO 0.07 -0.02 -0.02 0.68 1.20 0.00 0.00 173.24 175.16 1n0x s VAL 190 N 0.76 1.17 -0.16 4.45 -7.23 0.24 -0.62 120.40 119.01 1n0x s VAL 190 Ca -0.12 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 57.87 1n0x s VAL 190 Cb -0.14 -2.36 0.05 0.00 0.56 0.00 0.00 36.38 34.49 1n0x s VAL 190 CO 0.01 -0.33 0.42 0.54 -0.31 0.00 0.00 175.10 175.43 1n0x s VAL 191 N -3.33 -0.01 -0.09 1.32 0.11 -0.17 -0.34 120.40 117.90 1n0x s VAL 191 Ca 0.28 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.27 1n0x s VAL 191 Cb 0.05 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 1n0x s VAL 191 CO 0.09 0.01 0.24 0.42 -3.33 0.00 0.00 175.10 172.53 1n0x s THR 192 N 0.66 5.33 0.11 5.04 -4.23 -1.09 -1.83 115.64 119.62 1n0x s THR 192 Ca -0.04 0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.85 1n0x s THR 192 Cb -0.05 -3.52 -0.02 0.00 1.34 0.00 0.00 72.50 70.25 1n0x s THR 192 CO -0.04 0.58 0.16 0.68 -0.54 0.00 0.00 174.62 175.46 1n0x s VAL 193 N -0.88 0.13 0.15 2.29 -7.23 0.12 -4.80 120.40 110.18 1n0x s VAL 193 Ca 0.18 -1.44 -0.31 0.00 -1.81 0.00 0.00 61.98 58.60 1n0x s VAL 193 Cb -0.14 -1.61 -0.08 0.00 0.56 0.00 0.00 36.38 35.12 1n0x s VAL 193 CO 0.07 -0.58 1.36 -2.16 -0.31 0.00 0.00 175.10 173.48 1n0x s PRO 194 N -3.93 4.34 0.54 4.82 0.04 -1.26 0.12 135.00 139.67 1n0x s PRO 194 Ca 0.11 2.08 0.23 0.00 0.04 0.00 0.00 61.00 63.46 1n0x s PRO 194 Cb 0.05 -3.22 1.41 0.00 0.04 0.00 0.00 34.50 32.78 1n0x s PRO 194 CO -0.06 -0.37 2.06 0.66 0.04 0.00 0.00 177.00 179.33 1n0x h SER 195 N 6.21 0.00 0.50 6.66 4.64 -1.70 0.30 113.55 130.15 1n0x h SER 195 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1n0x h SER 195 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1n0x h SER 195 CO 0.83 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.25 1n0x n SER 196 N -4.32 0.00 0.02 4.97 3.41 -1.26 -2.57 113.62 113.86 1n0x n SER 196 Ca 0.05 0.43 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 1n0x n SER 196 Cb 0.41 -0.47 0.10 0.00 -0.26 0.00 0.00 64.21 63.99 1n0x n SER 196 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n0x n SER 197 N -1.47 0.64 0.24 4.04 3.41 0.09 -4.49 113.62 116.08 1n0x n SER 197 Ca 0.04 -0.31 0.17 0.00 -0.26 0.00 0.00 58.87 58.52 1n0x n SER 197 Cb 0.17 0.56 0.80 0.00 -0.26 0.00 0.00 64.21 65.48 1n0x n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1n0x h LEU 198 N 0.00 0.00 -1.64 1.04 3.38 -1.61 0.97 115.31 117.46 1n0x h LEU 198 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n0x h LEU 198 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1n0x h LEU 198 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1n0x n GLY 199 N -1.33 0.18 0.00 0.83 0.00 -1.26 -4.61 105.19 99.01 1n0x n GLY 199 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1n0x n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n0x n THR 200 N 0.86 0.00 -4.29 2.61 -2.24 -0.58 -5.02 114.28 105.61 1n0x n THR 200 Ca 0.09 -0.18 -0.34 0.00 -2.27 0.00 0.00 64.05 61.35 1n0x n THR 200 Cb 0.38 0.78 -0.15 0.00 -2.10 0.00 0.00 70.33 69.24 1n0x n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1n0x s GLN 203 N -0.68 3.29 0.07 -0.78 2.00 0.23 -5.10 119.66 118.69 1n0x s GLN 203 Ca 0.00 -0.69 -0.23 0.00 -2.00 0.00 0.00 55.36 52.43 1n0x s GLN 203 Cb 0.00 -2.77 -0.06 0.00 0.80 0.00 0.00 33.01 30.98 1n0x s GLN 203 CO 0.00 -0.05 0.71 0.99 -0.50 0.00 0.00 175.29 176.44 1n0x s THR 205 N 1.02 4.68 -0.17 -0.34 2.01 -1.26 -4.74 115.64 116.84 1n0x s THR 205 Ca -0.01 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.51 1n0x s THR 205 Cb -0.15 -4.05 0.03 0.00 0.01 0.00 0.00 72.50 68.33 1n0x s THR 205 CO -0.02 0.44 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.88 1n0x s TYR 206 N -0.48 2.45 -0.07 4.92 1.51 -1.26 -4.94 117.35 119.49 1n0x s TYR 206 Ca 0.35 -1.46 0.02 0.00 -1.01 0.00 0.00 57.07 54.97 1n0x s TYR 206 Cb -0.21 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1n0x s TYR 206 CO 0.22 -0.74 -0.12 0.42 -1.11 0.00 0.00 175.55 174.22 1n0x s ILE 207 N 1.39 1.13 -0.15 2.71 1.01 -1.26 -0.62 121.20 125.41 1n0x s ILE 207 Ca 0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 1n0x s ILE 207 Cb -0.14 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 1n0x s ILE 207 CO -0.11 0.36 0.27 0.00 0.00 0.00 0.00 174.94 175.45 1n0x s ASN 209 N 0.25 5.77 -0.09 0.00 -0.87 0.46 -1.38 114.94 119.07 1n0x s ASN 209 Ca 0.16 -0.41 0.01 0.00 -1.57 0.00 0.00 52.86 51.04 1n0x s ASN 209 Cb -0.13 -2.06 -0.02 0.00 -0.02 0.00 0.00 41.25 39.02 1n0x s ASN 209 CO 0.04 -0.18 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.59 1n0x s VAL 210 N 1.67 3.41 -0.05 1.60 1.01 0.72 -1.40 120.40 127.36 1n0x s VAL 210 Ca 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1n0x s VAL 210 Cb -0.17 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.83 1n0x s VAL 210 CO 0.08 0.56 0.01 0.21 0.00 0.00 0.00 175.10 175.96 1n0x s ASN 211 N -0.32 1.11 -0.55 3.32 2.47 -0.67 -0.74 114.94 119.56 1n0x s ASN 211 Ca 0.04 -0.05 0.04 0.00 0.42 0.00 0.00 52.86 53.31 1n0x s ASN 211 Cb -0.13 -0.33 0.15 0.00 -1.45 0.00 0.00 41.25 39.49 1n0x s ASN 211 CO 0.02 -0.16 0.33 -2.28 -3.72 0.00 0.00 177.10 171.30 1n0x s HIS 212 N 1.61 2.84 0.29 0.43 5.65 0.19 -1.11 115.29 125.20 1n0x s HIS 212 Ca -0.01 -2.97 0.04 0.00 0.25 0.00 0.00 55.06 52.37 1n0x s HIS 212 Cb -0.13 -2.41 0.68 0.00 -1.18 0.00 0.00 32.58 29.54 1n0x s HIS 212 CO -0.03 -0.70 1.79 0.87 -0.65 0.00 0.00 174.74 176.02 1n0x h LYS 213 N 6.16 0.78 -0.56 2.88 1.57 -1.81 -1.68 116.57 123.91 1n0x h LYS 213 Ca 0.03 -0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.91 1n0x h LYS 213 Cb 0.86 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1n0x h LYS 213 CO 0.62 0.52 0.39 -1.35 -0.57 0.00 0.00 179.45 179.06 1n0x h PRO 214 N 0.80 0.07 -0.02 3.15 0.11 -1.92 -1.38 132.00 132.82 1n0x h PRO 214 Ca 0.55 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1n0x h PRO 214 Cb 0.78 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1n0x h PRO 214 CO -0.36 0.05 -0.03 -1.13 -0.21 0.00 0.00 178.00 176.32 1n0x n SER 215 N -4.40 2.02 -3.46 -2.05 3.41 -0.85 -4.97 113.62 103.32 1n0x n SER 215 Ca 0.10 -1.51 -0.23 0.00 -0.26 0.00 0.00 58.87 56.97 1n0x n SER 215 Cb 0.58 0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.66 1n0x n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1n0x n ASN 216 N 0.63 -6.29 -4.37 4.04 3.02 -0.52 -4.91 115.26 106.85 1n0x n ASN 216 Ca 0.07 -0.49 -0.36 0.00 -0.03 0.00 0.00 54.58 53.77 1n0x n ASN 216 Cb 0.33 -4.95 -0.13 0.00 -0.61 0.00 0.00 39.78 34.42 1n0x n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1n0x s THR 217 N -3.29 3.86 -0.05 3.41 2.01 -0.97 -5.00 115.64 115.61 1n0x s THR 217 Ca 0.54 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.20 1n0x s THR 217 Cb -0.24 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1n0x s THR 217 CO 0.67 0.34 -0.15 -0.54 -0.69 0.00 0.00 174.62 174.25 1n0x s LYS 218 N 1.54 1.74 -0.01 4.92 1.02 -1.26 -0.63 119.74 127.06 1n0x s LYS 218 Ca 0.06 -0.52 0.01 0.00 0.02 0.00 0.00 55.97 55.54 1n0x s LYS 218 Cb -0.15 -1.47 0.01 0.00 -0.52 0.00 0.00 37.83 35.70 1n0x s LYS 218 CO 0.00 0.14 -0.03 0.08 -0.92 0.00 0.00 175.35 174.63 1n0x s VAL 219 N 0.30 0.27 -0.25 3.17 1.01 0.08 -5.00 120.40 119.98 1n0x s VAL 219 Ca -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1n0x s VAL 219 Cb -0.13 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1n0x s VAL 219 CO 0.03 0.10 -0.06 -1.81 0.00 0.00 0.00 175.10 173.36 1n0x s ASP 220 N 0.25 4.34 -0.20 3.32 -0.00 -1.26 -0.20 116.67 122.91 1n0x s ASP 220 Ca -0.02 -0.95 -0.01 0.00 -0.00 0.00 0.00 52.55 51.58 1n0x s ASP 220 Cb -0.05 -1.65 0.01 0.00 -0.00 0.00 0.00 42.92 41.23 1n0x s ASP 220 CO -0.01 -0.14 -0.14 -0.75 -0.00 0.00 0.00 175.17 174.14 1n0x s LYS 221 N 1.30 3.06 -0.02 8.23 2.20 -0.48 -4.94 119.74 129.09 1n0x s LYS 221 Ca -0.01 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 54.50 1n0x s LYS 221 Cb -0.17 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 1n0x s LYS 221 CO -0.04 -0.24 1.04 0.21 -0.36 0.00 0.00 175.35 175.96 1n0x s LYS 222 N 1.34 4.48 -0.22 4.03 2.20 -1.26 -1.16 119.74 129.16 1n0x s LYS 222 Ca 0.04 1.49 -0.04 0.00 -0.36 0.00 0.00 55.97 57.10 1n0x s LYS 222 Cb -0.14 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 1n0x s LYS 222 CO -0.09 -0.19 -0.02 0.08 -0.36 0.00 0.00 175.35 174.77 1n0x s VAL 225 N 1.40 3.60 0.14 4.02 1.01 0.21 -4.99 120.40 125.80 1n0x s VAL 225 Ca 0.53 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1n0x s VAL 225 Cb -0.22 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1n0x s VAL 225 CO 0.25 0.42 -0.01 -1.83 0.00 0.00 0.00 175.10 173.93 1n0x s GLU 226 N 1.34 1.00 0.31 2.72 -1.05 -1.26 -4.39 118.70 117.37 1n0x s GLU 226 Ca 0.04 -1.46 -0.29 0.00 -0.15 0.00 0.00 54.97 53.11 1n0x s GLU 226 Cb -0.14 -0.18 -0.11 0.00 -0.44 0.00 0.00 34.13 33.26 1n0x s GLU 226 CO -0.01 -0.11 1.54 -2.14 0.95 0.00 0.00 175.26 175.49 1n0x s PRO 227 N -3.91 4.14 -0.10 -4.83 0.02 -1.26 -4.44 135.00 124.61 1n0x s PRO 227 Ca 0.20 2.54 -0.30 0.00 0.02 0.00 0.00 61.00 63.47 1n0x s PRO 227 Cb 0.06 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.53 1n0x s PRO 227 CO 0.01 -0.57 1.34 -1.59 -0.33 0.00 0.00 177.00 175.86 1n0x s LYS 228 N -1.00 4.25 -0.61 5.54 0.00 -1.26 -4.86 119.74 121.81 1n0x s LYS 228 Ca 0.59 1.80 -0.04 0.00 0.00 0.00 0.00 55.97 58.33 1n0x s LYS 228 Cb -0.47 -3.74 -0.04 0.00 0.00 0.00 0.00 37.83 33.59 1n0x s LYS 228 CO 0.52 -0.66 1.78 -1.13 0.00 0.00 0.00 175.35 175.86 1n0x n SER 229 N 6.25 3.41 0.00 0.03 3.41 -1.26 -5.13 113.62 120.34 1n0x n SER 229 Ca 0.14 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1n0x n SER 229 Cb 0.45 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1n0x n SER 229 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88