#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 3.88 0.04 1.69 1.01 -1.26 -3.92 120.40 121.84 1n0x s VAL 2 Ca 0.00 1.19 0.03 0.00 0.00 0.00 0.00 61.98 63.20 1n0x s VAL 2 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1n0x s VAL 2 CO 0.00 -0.04 -0.09 -1.10 0.00 0.00 0.00 175.10 173.86 1n0x s GLN 3 N 2.90 0.62 -0.15 2.72 -0.21 -0.52 -5.01 119.66 120.02 1n0x s GLN 3 Ca 0.62 -0.71 -0.02 0.00 0.02 0.00 0.00 55.36 55.28 1n0x s GLN 3 Cb -0.29 -0.49 0.05 0.00 1.00 0.00 0.00 33.01 33.28 1n0x s GLN 3 CO 0.24 0.11 0.00 -0.51 -2.12 0.00 0.00 175.29 173.00 1n0x s LEU 4 N -1.33 1.14 -0.21 2.90 1.02 -1.26 -1.62 118.68 119.32 1n0x s LEU 4 Ca -0.05 -0.57 -0.06 0.00 0.02 0.00 0.00 54.13 53.47 1n0x s LEU 4 Cb -0.09 -0.64 -0.03 0.00 0.02 0.00 0.00 46.19 45.46 1n0x s LEU 4 CO 0.01 -0.24 0.02 -0.69 0.02 0.00 0.00 176.35 175.47 1n0x s VAL 5 N 1.83 4.09 0.23 -1.59 1.01 0.64 -4.37 120.40 122.24 1n0x s VAL 5 Ca 0.01 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1n0x s VAL 5 Cb -0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1n0x s VAL 5 CO -0.07 0.41 0.29 -1.10 0.00 0.00 0.00 175.10 174.64 1n0x s GLN 6 N 1.06 3.25 0.91 2.72 -0.21 -1.26 -0.21 119.66 125.93 1n0x s GLN 6 Ca 0.03 -0.85 -0.12 0.00 0.02 0.00 0.00 55.36 54.44 1n0x s GLN 6 Cb -0.14 -2.78 0.14 0.00 1.00 0.00 0.00 33.01 31.22 1n0x s GLN 6 CO 0.02 0.43 1.10 -1.54 -2.12 0.00 0.00 175.29 173.18 1n0x s SER 7 N -3.84 3.40 0.89 5.90 1.04 -0.92 -4.99 113.70 115.18 1n0x s SER 7 Ca 0.34 1.32 -0.12 0.00 0.48 0.00 0.00 55.95 57.96 1n0x s SER 7 Cb -0.09 -1.99 0.13 0.00 0.10 0.00 0.00 66.02 64.17 1n0x s SER 7 CO 0.27 -2.66 1.11 -0.83 0.98 0.00 0.00 173.24 172.12 1n0x s GLY 8 N -3.57 1.59 0.56 7.32 0.00 -1.26 -4.67 107.32 107.29 1n0x s GLY 8 Ca 0.64 -0.36 -0.19 0.00 0.00 0.00 0.00 44.72 44.81 1n0x s GLY 8 CO 0.56 0.16 0.64 0.00 0.00 0.00 0.00 173.10 174.46 1n0x n ALA 9 N -3.76 -0.83 -2.56 3.20 0.00 -1.26 -4.76 120.51 110.53 1n0x n ALA 9 Ca 0.06 0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 1n0x n ALA 9 Cb 0.58 -1.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.18 0.87 -0.06 0.00 0.41 0.66 -4.97 118.70 113.42 1n0x s GLU 10 Ca 0.70 -1.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 1n0x s GLU 10 Cb -0.46 -0.68 0.02 0.00 -1.78 0.00 0.00 34.13 31.23 1n0x s GLU 10 CO 0.53 0.13 -0.03 0.08 -0.49 0.00 0.00 175.26 175.48 1n0x s VAL 11 N -2.02 0.52 0.10 2.63 1.01 -1.26 -0.74 120.40 120.64 1n0x s VAL 11 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1n0x s VAL 11 Cb -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1n0x s VAL 11 CO 0.01 0.25 -0.07 -0.54 0.00 0.00 0.00 175.10 174.76 1n0x s LYS 12 N 1.37 0.82 0.22 2.72 -0.14 0.16 -4.95 119.74 119.95 1n0x s LYS 12 Ca -0.04 -1.29 -0.03 0.00 -1.36 0.00 0.00 55.97 53.25 1n0x s LYS 12 Cb -0.13 -0.23 -0.05 0.00 -1.68 0.00 0.00 37.83 35.73 1n0x s LYS 12 CO -0.03 -0.01 0.46 0.15 -0.76 0.00 0.00 175.35 175.16 1n0x s LYS 13 N -3.63 3.59 0.43 1.68 1.02 -1.26 -0.96 119.74 120.61 1n0x s LYS 13 Ca 0.10 -0.13 -0.25 0.00 0.02 0.00 0.00 55.97 55.71 1n0x s LYS 13 Cb 0.04 -2.76 -0.09 0.00 -0.52 0.00 0.00 37.83 34.50 1n0x s LYS 13 CO -0.04 0.34 1.31 -2.30 -0.92 0.00 0.00 175.35 173.74 1n0x n PRO 14 N -0.60 2.01 0.00 -1.68 -0.02 -1.26 -2.12 135.00 131.33 1n0x n PRO 14 Ca -0.03 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1n0x n PRO 14 Cb 0.53 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.75 3.28 2.09 -1.23 0.00 0.23 -4.90 105.19 105.42 1n0x n GLY 15 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1n0x n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n0x n ALA 16 N -1.22 -0.81 -2.31 4.61 0.00 -0.90 -4.04 120.51 115.84 1n0x n ALA 16 Ca 0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 53.44 52.33 1n0x n ALA 16 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.31 1n0x n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n0x s SER 17 N -3.63 2.23 0.01 0.00 1.04 -1.26 -1.15 113.70 110.95 1n0x s SER 17 Ca 0.41 -1.04 0.01 0.00 0.48 0.00 0.00 55.95 55.80 1n0x s SER 17 Cb -0.01 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 1n0x s SER 17 CO 0.29 -0.27 -0.04 0.54 0.98 0.00 0.00 173.24 174.74 1n0x s VAL 18 N -3.14 0.26 -0.14 5.02 0.11 -0.46 -4.99 120.40 117.04 1n0x s VAL 18 Ca 0.21 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1n0x s VAL 18 Cb 0.01 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.62 1n0x s VAL 18 CO 0.05 -0.07 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.87 1n0x s LYS 19 N -0.45 2.22 -0.07 1.54 2.20 -1.26 -1.15 119.74 122.77 1n0x s LYS 19 Ca -0.03 -0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 55.05 1n0x s LYS 19 Cb -0.03 -2.05 -0.03 0.00 -1.51 0.00 0.00 37.83 34.21 1n0x s LYS 19 CO -0.00 -0.23 -0.02 0.08 -0.36 0.00 0.00 175.35 174.82 1n0x s VAL 20 N 1.50 4.12 0.17 4.02 1.01 0.06 -4.96 120.40 126.32 1n0x s VAL 20 Ca 0.05 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1n0x s VAL 20 Cb -0.13 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1n0x s VAL 20 CO -0.10 0.58 -0.00 -0.94 0.00 0.00 0.00 175.10 174.63 1n0x s SER 21 N -0.94 4.76 -0.20 3.32 1.04 -1.26 -1.25 113.70 119.17 1n0x s SER 21 Ca 0.14 -0.40 -0.04 0.00 0.48 0.00 0.00 55.95 56.12 1n0x s SER 21 Cb -0.11 -1.01 0.08 0.00 0.10 0.00 0.00 66.02 65.07 1n0x s SER 21 CO 0.03 0.09 0.13 0.00 0.98 0.00 0.00 173.24 174.47 1n0x s GLN 23 N 2.19 3.97 0.10 0.00 0.74 0.71 -0.57 119.66 126.80 1n0x s GLN 23 Ca 0.04 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.14 1n0x s GLN 23 Cb -0.16 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 1n0x s GLN 23 CO -0.14 0.04 0.22 0.00 -0.55 0.00 0.00 175.29 174.86 1n0x s ALA 24 N 1.08 3.93 0.16 1.58 0.00 0.02 -0.26 121.76 128.27 1n0x s ALA 24 Ca 0.06 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 1n0x s ALA 24 Cb -0.14 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.26 1n0x s ALA 24 CO 0.04 0.70 0.44 -1.54 0.00 0.00 0.00 175.76 175.40 1n0x s SER 25 N -2.80 -0.20 0.00 0.00 1.04 -0.64 -4.84 113.70 106.26 1n0x s SER 25 Ca 0.34 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1n0x s SER 25 Cb -0.12 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1n0x s SER 25 CO 0.27 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1n0x n GLY 26 N -0.28 0.78 3.82 7.32 0.00 -1.25 -1.43 105.19 114.14 1n0x n GLY 26 Ca -0.12 0.00 -0.05 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 -2.91 -0.09 -0.81 1.61 1.13 -1.26 -4.32 117.35 110.70 1n0x s TYR 27 Ca 0.00 -0.34 -0.25 0.00 -1.41 0.00 0.00 57.07 55.06 1n0x s TYR 27 Cb 0.00 0.70 0.01 0.00 -1.10 0.00 0.00 41.96 41.58 1n0x s TYR 27 CO 0.00 -1.10 1.54 1.03 -2.51 0.00 0.00 175.55 174.50 1n0x s ARG 28 N -3.24 3.09 0.34 -3.49 0.52 -1.26 -4.88 118.95 110.03 1n0x s ARG 28 Ca 0.13 -0.30 0.14 0.00 -0.52 0.00 0.00 55.73 55.18 1n0x s ARG 28 Cb -0.04 -4.66 1.06 0.00 0.52 0.00 0.00 34.95 31.84 1n0x s ARG 28 CO 0.06 -2.46 1.68 0.35 0.02 0.00 0.00 175.30 174.95 1n0x h PHE 29 N 11.16 0.92 0.00 -0.53 3.04 -1.95 0.01 116.94 129.60 1n0x h PHE 29 Ca -0.10 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1n0x h PHE 29 Cb 1.06 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.32 1n0x h PHE 29 CO 1.16 -0.12 0.00 0.43 -2.02 0.00 0.00 178.31 177.77 1n0x n SER 30 N -4.98 0.00 -0.65 0.41 7.64 -1.26 -3.49 113.62 111.29 1n0x n SER 30 Ca 0.31 0.02 0.13 0.00 1.01 0.00 0.00 58.87 60.33 1n0x n SER 30 Cb 0.95 -0.32 0.25 0.00 -1.01 0.00 0.00 64.21 64.08 1n0x n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1n0x n ASN 31 N -1.32 2.14 -3.97 6.43 5.03 -0.01 -4.16 115.26 119.39 1n0x n ASN 31 Ca 0.11 -1.63 -0.19 0.00 0.87 0.00 0.00 54.58 53.73 1n0x n ASN 31 Cb 0.22 0.09 -0.15 0.00 -1.02 0.00 0.00 39.78 38.92 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 -2.14 0.83 0.62 3.10 0.08 -1.23 -5.10 117.98 114.15 1n0x s PHE 32 Ca 0.29 -0.20 -0.16 0.00 0.12 0.00 0.00 56.93 56.98 1n0x s PHE 32 Cb 0.20 -0.61 -0.02 0.00 -0.57 0.00 0.00 43.02 42.02 1n0x s PHE 32 CO 0.38 -0.10 1.10 0.08 -0.10 0.00 0.00 175.22 176.57 1n0x s VAL 33 N 0.28 3.41 -0.11 -0.44 1.01 -1.26 -4.46 120.40 118.83 1n0x s VAL 33 Ca -0.04 0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.65 1n0x s VAL 33 Cb -0.09 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1n0x s VAL 33 CO 0.00 -0.38 -0.17 -0.63 0.00 0.00 0.00 175.10 173.93 1n0x s ILE 34 N -2.30 1.62 0.21 2.22 -1.09 -0.41 -2.03 121.20 119.43 1n0x s ILE 34 Ca 0.67 -0.72 -0.03 0.00 -2.23 0.00 0.00 60.65 58.33 1n0x s ILE 34 Cb -0.19 -1.46 -0.05 0.00 -1.58 0.00 0.00 42.46 39.18 1n0x s ILE 34 CO 0.38 0.46 0.43 -1.00 -1.23 0.00 0.00 174.94 173.99 1n0x s HIS 35 N 0.86 3.48 -0.10 3.97 3.76 0.11 -1.12 115.29 126.25 1n0x s HIS 35 Ca -0.09 0.47 0.02 0.00 -0.15 0.00 0.00 55.06 55.32 1n0x s HIS 35 Cb -0.15 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.59 1n0x s HIS 35 CO 0.00 0.33 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.47 1n0x s TRP 36 N -1.88 2.06 0.01 1.40 0.52 -0.21 -0.75 118.94 120.09 1n0x s TRP 36 Ca 0.41 -0.90 0.01 0.00 0.02 0.00 0.00 56.10 55.63 1n0x s TRP 36 Cb -0.11 -1.44 -0.01 0.00 -1.15 0.00 0.00 33.47 30.75 1n0x s TRP 36 CO 0.28 -0.42 -0.03 0.08 0.02 0.00 0.00 176.95 176.88 1n0x s VAL 37 N 0.73 0.19 0.25 4.03 1.01 -0.17 -0.36 120.40 126.08 1n0x s VAL 37 Ca -0.12 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1n0x s VAL 37 Cb -0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1n0x s VAL 37 CO 0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 175.10 174.85 1n0x s ARG 38 N -0.83 1.41 -0.18 2.72 1.70 -0.17 0.43 118.95 124.03 1n0x s ARG 38 Ca -0.07 -1.71 -0.04 0.00 -0.47 0.00 0.00 55.73 53.44 1n0x s ARG 38 Cb -0.06 -0.86 0.09 0.00 -0.57 0.00 0.00 34.95 33.55 1n0x s ARG 38 CO -0.00 -0.02 0.22 -1.14 -1.08 0.00 0.00 175.30 173.28 1n0x s GLN 39 N -3.79 0.17 0.38 3.89 0.74 -0.11 0.55 119.66 121.49 1n0x s GLN 39 Ca 0.28 0.33 -0.14 0.00 0.05 0.00 0.00 55.36 55.87 1n0x s GLN 39 Cb 0.05 -0.93 -0.08 0.00 1.10 0.00 0.00 33.01 33.14 1n0x s GLN 39 CO 0.10 -0.57 0.80 0.00 -0.55 0.00 0.00 175.29 175.07 1n0x s ALA 40 N 2.34 3.27 -0.02 1.58 0.00 -1.26 -1.68 121.76 125.99 1n0x s ALA 40 Ca 0.06 0.02 -0.36 0.00 0.00 0.00 0.00 51.96 51.68 1n0x s ALA 40 Cb -0.15 -2.83 -0.14 0.00 0.00 0.00 0.00 23.12 20.00 1n0x s ALA 40 CO -0.11 0.15 1.66 -2.30 0.00 0.00 0.00 175.76 175.16 1n0x n PRO 41 N -0.81 1.77 -0.74 0.00 -0.02 -1.26 -0.73 135.00 133.20 1n0x n PRO 41 Ca 0.04 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1n0x n PRO 41 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1n0x n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n0x n GLY 42 N 3.71 1.22 3.83 -1.23 0.00 -1.26 -5.01 105.19 106.45 1n0x n GLY 42 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.11 2.58 0.55 1.61 -1.52 0.09 -5.12 119.66 117.75 1n0x s GLN 43 Ca 0.00 -1.44 -0.15 0.00 -1.95 0.00 0.00 55.36 51.82 1n0x s GLN 43 Cb 0.00 -2.37 -0.06 0.00 -0.22 0.00 0.00 33.01 30.36 1n0x s GLN 43 CO 0.00 -0.00 1.01 1.03 -0.25 0.00 0.00 175.29 177.08 1n0x s ARG 44 N -4.01 3.71 0.43 2.91 0.52 -1.26 -4.55 118.95 116.70 1n0x s ARG 44 Ca 0.43 1.00 -0.25 0.00 -0.52 0.00 0.00 55.73 56.38 1n0x s ARG 44 Cb -0.04 -2.10 -0.10 0.00 0.52 0.00 0.00 34.95 33.24 1n0x s ARG 44 CO 0.26 -0.48 1.23 1.19 0.02 0.00 0.00 175.30 177.53 1n0x n PHE 45 N -1.89 1.99 -3.83 -0.53 3.01 -1.26 -4.55 117.46 110.40 1n0x n PHE 45 Ca 0.07 0.51 -0.28 0.00 1.01 0.00 0.00 57.45 58.75 1n0x n PHE 45 Cb 0.54 -2.35 -0.16 0.00 -0.01 0.00 0.00 39.48 37.49 1n0x n PHE 45 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1n0x s GLU 46 N -2.21 1.12 0.22 -1.08 2.12 0.19 -4.96 118.70 114.10 1n0x s GLU 46 Ca 0.62 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 55.07 1n0x s GLU 46 Cb -0.51 -2.16 -0.09 0.00 0.26 0.00 0.00 34.13 31.63 1n0x s GLU 46 CO 0.57 -0.56 1.40 -0.46 -0.54 0.00 0.00 175.26 175.68 1n0x s TRP 47 N 1.68 3.11 -0.14 5.30 -0.00 -1.26 -1.00 118.94 126.63 1n0x s TRP 47 Ca -0.02 1.05 0.13 0.00 -0.00 0.00 0.00 56.10 57.26 1n0x s TRP 47 Cb -0.17 -3.75 -0.18 0.00 -0.00 0.00 0.00 33.47 29.37 1n0x s TRP 47 CO -0.07 -2.46 0.04 -1.33 -0.00 0.00 0.00 176.95 173.14 1n0x n MET 48 N 2.67 1.60 -2.35 5.86 2.81 0.52 -4.72 117.12 123.50 1n0x n MET 48 Ca 0.07 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1n0x n MET 48 Cb 0.41 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 2.12 -1.24 3.12 3.03 0.00 -1.18 -1.60 105.19 109.43 1n0x n GLY 49 Ca -0.24 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.66 0.67 0.01 1.61 1.48 -0.05 -1.05 118.94 119.94 1n0x s TRP 50 Ca 0.00 -1.13 0.01 0.00 -1.06 0.00 0.00 56.10 53.93 1n0x s TRP 50 Cb 0.00 -0.43 -0.01 0.00 -1.16 0.00 0.00 33.47 31.87 1n0x s TRP 50 CO 0.00 -0.42 -0.04 -1.50 -4.06 0.00 0.00 176.95 170.93 1n0x s ILE 51 N -3.95 0.31 -0.47 0.66 2.07 -0.27 -1.89 121.20 117.65 1n0x s ILE 51 Ca 0.14 -0.36 -0.16 0.00 -1.41 0.00 0.00 60.65 58.85 1n0x s ILE 51 Cb 0.08 -0.30 0.06 0.00 0.13 0.00 0.00 42.46 42.43 1n0x s ILE 51 CO -0.05 -0.04 0.44 0.21 -1.91 0.00 0.00 174.94 173.58 1n0x s ASN 52 N -0.44 6.16 0.58 4.50 3.84 0.76 -1.29 114.94 129.06 1n0x s ASN 52 Ca -0.02 -1.16 0.27 0.00 0.21 0.00 0.00 52.86 52.17 1n0x s ASN 52 Cb -0.03 -2.21 1.64 0.00 -0.55 0.00 0.00 41.25 40.10 1n0x s ASN 52 CO -0.00 -0.67 2.13 1.55 -2.79 0.00 0.00 177.10 177.32 1n0x h PRO 52 N 8.79 0.00 0.07 0.43 0.13 -1.86 0.34 132.00 139.89 1n0x h PRO 52 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1n0x h PRO 52 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1n0x h PRO 52 CO 0.88 0.00 -0.03 -0.92 -0.23 0.00 0.00 178.00 177.69 1n0x h TYR 53 N 0.00 -0.09 -0.02 1.56 3.20 -1.87 -3.37 116.97 116.38 1n0x h TYR 53 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1n0x h TYR 53 Cb 0.36 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1n0x h TYR 53 CO 0.00 0.17 0.00 0.27 -1.64 0.00 0.00 178.16 176.96 1n0x n ASN 54 N -5.02 1.50 0.00 -2.11 0.23 -1.14 -5.00 115.26 103.72 1n0x n ASN 54 Ca -0.08 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 1n0x n ASN 54 Cb 0.16 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 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 0.20 0.72 3.73 4.83 0.00 0.12 -5.00 105.19 109.79 1n0x n GLY 55 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.61 4.33 0.24 1.61 0.02 -1.23 -4.70 114.94 112.60 1n0x s ASN 56 Ca 0.00 2.25 -0.22 0.00 -1.02 0.00 0.00 52.86 53.87 1n0x s ASN 56 Cb 0.00 -2.58 0.03 0.00 0.02 0.00 0.00 41.25 38.73 1n0x s ASN 56 CO 0.00 -2.16 0.78 -1.59 0.02 0.00 0.00 177.10 174.15 1n0x s LYS 57 N -4.02 1.61 0.00 -0.60 -2.85 -1.26 -0.17 119.74 112.46 1n0x s LYS 57 Ca 0.72 -0.88 0.01 0.00 -1.00 0.00 0.00 55.97 54.82 1n0x s LYS 57 Cb -0.26 0.55 -0.00 0.00 -2.06 0.00 0.00 37.83 36.06 1n0x s LYS 57 CO 0.45 -0.74 -0.03 -2.00 0.10 0.00 0.00 175.35 173.14 1n0x s GLU 58 N -3.74 0.23 0.13 1.78 2.12 -0.79 -4.98 118.70 113.44 1n0x s GLU 58 Ca 0.11 -0.17 0.10 0.00 0.36 0.00 0.00 54.97 55.37 1n0x s GLU 58 Cb -0.05 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 1n0x s GLU 58 CO 0.05 0.05 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.53 1n0x s PHE 59 N -0.23 2.02 0.40 5.30 0.40 -1.26 -0.87 117.98 123.74 1n0x s PHE 59 Ca -0.01 -0.41 -0.24 0.00 -0.60 0.00 0.00 56.93 55.68 1n0x s PHE 59 Cb -0.02 -1.08 -0.09 0.00 0.51 0.00 0.00 43.02 42.34 1n0x s PHE 59 CO -0.00 0.30 1.07 0.45 0.70 0.00 0.00 175.22 177.74 1n0x s SER 60 N -2.15 6.69 0.50 1.36 0.15 -0.63 -4.85 113.70 114.77 1n0x s SER 60 Ca 0.12 2.08 0.17 0.00 0.70 0.00 0.00 55.95 59.02 1n0x s SER 60 Cb -0.09 -2.59 1.23 0.00 -1.71 0.00 0.00 66.02 62.86 1n0x s SER 60 CO 0.06 -0.54 2.09 0.00 1.20 0.00 0.00 173.24 176.05 1n0x h ALA 61 N 2.46 2.08 0.00 5.45 0.00 -1.94 -0.98 119.26 126.33 1n0x h ALA 61 Ca -0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1n0x h ALA 61 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1n0x h ALA 61 CO 0.62 -0.13 -0.26 -0.22 0.00 0.00 0.00 179.25 179.26 1n0x h LYS 62 N 0.09 0.00 -0.00 0.00 3.64 -1.95 -3.30 116.57 115.05 1n0x h LYS 62 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1n0x h LYS 62 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1n0x h LYS 62 CO -0.01 0.26 -0.02 1.19 -2.27 0.00 0.00 179.45 178.60 1n0x n PHE 63 N -3.99 0.00 -0.28 1.91 3.01 -0.86 -4.77 117.46 112.48 1n0x n PHE 63 Ca -0.02 0.00 0.27 0.00 1.01 0.00 0.00 57.45 58.71 1n0x n PHE 63 Cb 0.33 0.00 0.62 0.00 -0.01 0.00 0.00 39.48 40.43 1n0x n PHE 63 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1n0x h GLN 64 N 0.07 0.20 0.00 -1.08 -0.00 -1.28 -0.71 115.11 112.30 1n0x h GLN 64 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1n0x h GLN 64 Cb 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.46 1n0x h GLN 64 CO 0.00 0.13 -0.08 0.22 -0.00 0.00 0.00 178.83 179.11 1n0x h ASP 65 N 0.20 0.00 0.00 0.06 -0.00 -1.86 -3.38 116.42 111.45 1n0x h ASP 65 Ca 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.55 1n0x h ASP 65 Cb 1.72 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.05 1n0x h ASP 65 CO -0.14 0.01 -0.39 -2.11 -0.00 0.00 0.00 179.24 176.61 1n0x n ARG 66 N -2.59 0.23 -4.94 0.28 1.85 -0.37 -5.05 116.66 106.06 1n0x n ARG 66 Ca 0.05 -1.21 -0.29 0.00 -1.00 0.00 0.00 57.85 55.40 1n0x n ARG 66 Cb 0.47 -0.66 -0.15 0.00 -1.05 0.00 0.00 32.46 31.08 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 -0.44 1.98 -0.08 8.89 0.11 -0.62 -0.61 120.40 129.62 1n0x s VAL 67 Ca 0.05 -1.25 0.02 0.00 -2.93 0.00 0.00 61.98 57.86 1n0x s VAL 67 Cb 0.04 -1.69 0.01 0.00 -1.53 0.00 0.00 36.38 33.22 1n0x s VAL 67 CO 0.00 0.38 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.14 1n0x s THR 68 N -0.74 1.24 -0.14 5.04 2.01 0.71 -4.89 115.64 118.88 1n0x s THR 68 Ca 0.10 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 1n0x s THR 68 Cb -0.10 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1n0x s THR 68 CO 0.01 0.39 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.92 1n0x s PHE 69 N 0.89 3.00 0.12 4.92 2.99 -1.26 -0.72 117.98 127.92 1n0x s PHE 69 Ca -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 56.93 56.53 1n0x s PHE 69 Cb -0.15 -1.91 -0.04 0.00 0.00 0.00 0.00 43.02 40.92 1n0x s PHE 69 CO 0.01 0.00 0.06 0.95 -0.00 0.00 0.00 175.22 176.24 1n0x s THR 70 N 0.20 0.12 -0.04 0.64 -4.23 -0.74 -5.00 115.64 106.59 1n0x s THR 70 Ca -0.03 -1.84 -0.10 0.00 -1.18 0.00 0.00 61.69 58.54 1n0x s THR 70 Cb -0.14 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.79 1n0x s THR 70 CO 0.03 -0.54 0.23 0.00 -0.54 0.00 0.00 174.62 173.80 1n0x s ALA 71 N -4.02 -0.58 -0.50 3.99 0.00 -1.26 -0.17 121.76 119.22 1n0x s ALA 71 Ca 0.20 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1n0x s ALA 71 Cb 0.07 -0.08 0.13 0.00 0.00 0.00 0.00 23.12 23.25 1n0x s ALA 71 CO -0.00 -0.20 0.26 0.34 0.00 0.00 0.00 175.76 176.16 1n0x s ASP 72 N -0.86 4.10 0.40 0.00 -1.08 0.58 -4.98 116.67 114.83 1n0x s ASP 72 Ca -0.09 -2.91 0.10 0.00 -0.52 0.00 0.00 52.55 49.13 1n0x s ASP 72 Cb -0.05 -1.44 0.90 0.00 -1.46 0.00 0.00 42.92 40.87 1n0x s ASP 72 CO 0.02 -0.24 1.95 0.71 0.52 0.00 0.00 175.17 178.14 1n0x h THR 73 N 5.39 0.93 0.00 1.71 1.35 -1.86 0.53 112.91 120.95 1n0x h THR 73 Ca -0.05 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1n0x h THR 73 Cb 0.90 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1n0x h THR 73 CO 0.62 0.10 0.00 -1.54 -0.25 0.00 0.00 175.52 174.46 1n0x n SER 74 N -4.49 0.43 0.00 5.36 3.41 -1.26 -1.86 113.62 115.22 1n0x n SER 74 Ca 0.11 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1n0x n SER 74 Cb 0.34 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1n0x n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n0x n ALA 75 N -1.69 2.14 -4.08 7.33 0.00 0.02 -5.00 120.51 119.23 1n0x n ALA 75 Ca 0.01 -0.71 -0.32 0.00 0.00 0.00 0.00 53.44 52.42 1n0x n ALA 75 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.23 -2.98 -4.18 0.00 5.03 -0.30 -4.78 115.26 107.83 1n0x n ASN 76 Ca 0.00 -0.95 -0.25 0.00 0.87 0.00 0.00 54.58 54.25 1n0x n ASN 76 Cb 0.14 -3.12 -0.15 0.00 -1.02 0.00 0.00 39.78 35.62 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 -3.44 1.43 0.05 3.41 2.01 -1.01 -0.80 115.64 117.28 1n0x s THR 77 Ca 0.55 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.81 1n0x s THR 77 Cb -0.29 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1n0x s THR 77 CO 0.89 0.37 -0.17 0.00 -0.69 0.00 0.00 174.62 175.02 1n0x s ALA 78 N -0.47 2.65 0.06 7.40 0.00 0.27 -0.31 121.76 131.37 1n0x s ALA 78 Ca 0.07 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 50.89 1n0x s ALA 78 Cb -0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1n0x s ALA 78 CO -0.00 0.58 -0.18 0.71 0.00 0.00 0.00 175.76 176.87 1n0x s TYR 79 N -0.97 1.55 -0.10 0.00 1.51 0.76 -0.63 117.35 119.45 1n0x s TYR 79 Ca 0.16 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1n0x s TYR 79 Cb -0.11 -0.89 0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1n0x s TYR 79 CO 0.06 0.10 -0.10 1.41 -1.11 0.00 0.00 175.55 175.92 1n0x s MET 80 N -1.48 1.69 -0.16 -0.62 1.75 -0.38 -1.79 119.30 118.30 1n0x s MET 80 Ca 0.04 -0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.15 1n0x s MET 80 Cb -0.09 -1.59 0.01 0.00 2.84 0.00 0.00 34.83 36.00 1n0x s MET 80 CO 0.02 -0.16 -0.20 -2.00 -0.65 0.00 0.00 175.02 172.03 1n0x s GLU 81 N 1.31 3.03 -0.17 4.11 2.12 0.10 -0.76 118.70 128.44 1n0x s GLU 81 Ca -0.02 -0.83 -0.03 0.00 0.36 0.00 0.00 54.97 54.45 1n0x s GLU 81 Cb -0.14 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 1n0x s GLU 81 CO -0.04 -0.11 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.34 1n0x s LEU 82 N 1.06 3.04 0.43 2.70 2.96 -0.30 -0.20 118.68 128.36 1n0x s LEU 82 Ca -0.01 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.73 1n0x s LEU 82 Cb -0.14 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 1n0x s LEU 82 CO -0.07 0.11 0.39 -0.13 -1.32 0.00 0.00 176.35 175.32 1n0x s ARG 82 N 0.73 2.49 -1.33 1.98 0.52 0.22 -1.36 118.95 122.20 1n0x s ARG 82 Ca -0.02 -1.59 -0.07 0.00 -0.52 0.00 0.00 55.73 53.52 1n0x s ARG 82 Cb -0.15 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 32.98 1n0x s ARG 82 CO 0.02 -0.25 0.51 0.45 0.02 0.00 0.00 175.30 176.05 1n0x n SER 82 N -1.58 -1.65 -4.78 0.23 2.88 -1.08 -4.84 113.62 102.80 1n0x n SER 82 Ca 0.03 -1.03 -0.41 0.00 -1.33 0.00 0.00 58.87 56.13 1n0x n SER 82 Cb 0.62 -3.03 0.00 0.00 -0.75 0.00 0.00 64.21 61.05 1n0x n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1n0x s LEU 82 N -6.88 4.29 0.25 2.46 1.43 -0.30 -4.58 118.68 115.35 1n0x s LEU 82 Ca 0.14 3.03 0.05 0.00 -1.03 0.00 0.00 54.13 56.32 1n0x s LEU 82 Cb -0.05 -3.71 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 1n0x s LEU 82 CO 0.89 -0.92 -0.02 0.00 0.23 0.00 0.00 176.35 176.52 1n0x s ARG 83 N -2.15 1.44 0.27 1.70 1.70 -1.26 0.77 118.95 121.41 1n0x s ARG 83 Ca 0.54 -1.73 -0.00 0.00 -0.47 0.00 0.00 55.73 54.07 1n0x s ARG 83 Cb -0.46 -0.85 0.57 0.00 -0.57 0.00 0.00 34.95 33.64 1n0x s ARG 83 CO 0.62 -0.04 1.74 0.77 -1.08 0.00 0.00 175.30 177.31 1n0x h SER 84 N 2.38 0.45 0.11 -2.89 0.02 -1.96 0.79 113.55 112.44 1n0x h SER 84 Ca -0.39 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1n0x h SER 84 Cb 1.23 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1n0x h SER 84 CO 0.66 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 176.50 1n0x n ALA 85 N -2.45 1.14 1.63 3.77 0.00 -1.26 -1.32 120.51 122.01 1n0x n ALA 85 Ca 0.18 0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.84 1n0x n ALA 85 Cb 0.49 -1.16 0.75 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.82 0.31 -4.65 0.00 8.00 0.27 -4.78 116.55 113.87 1n0x n ASP 86 Ca 0.00 -0.72 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 1n0x n ASP 86 Cb 0.05 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.28 3.50 -0.06 -3.53 2.01 -0.43 -4.82 115.64 110.03 1n0x s THR 87 Ca 0.36 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 1n0x s THR 87 Cb 0.21 -3.43 0.10 0.00 0.01 0.00 0.00 72.50 69.38 1n0x s THR 87 CO 0.42 -0.11 1.33 0.00 -0.69 0.00 0.00 174.62 175.57 1n0x s ALA 88 N 4.66 -2.64 -0.23 7.40 0.00 -0.59 -4.35 121.76 126.00 1n0x s ALA 88 Ca 0.77 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.71 1n0x s ALA 88 Cb -0.32 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 1n0x s ALA 88 CO 0.31 -1.17 0.15 0.08 0.00 0.00 0.00 175.76 175.13 1n0x s VAL 89 N -2.01 5.37 -0.22 0.00 1.01 -0.67 -1.18 120.40 122.70 1n0x s VAL 89 Ca 0.31 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 1n0x s VAL 89 Cb -0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1n0x s VAL 89 CO -0.02 0.37 0.06 -0.31 0.00 0.00 0.00 175.10 175.21 1n0x s TYR 90 N 0.85 3.14 0.13 5.22 1.51 0.77 -0.93 117.35 128.04 1n0x s TYR 90 Ca 0.08 -0.20 0.09 0.00 -1.01 0.00 0.00 57.07 56.03 1n0x s TYR 90 Cb -0.13 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1n0x s TYR 90 CO 0.03 -0.13 -0.17 0.71 -1.11 0.00 0.00 175.55 174.88 1n0x s TYR 91 N 1.05 2.55 0.07 2.71 2.02 0.17 -0.62 117.35 125.29 1n0x s TYR 91 Ca 0.04 -0.26 0.07 0.00 -0.37 0.00 0.00 57.07 56.55 1n0x s TYR 91 Cb -0.14 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1n0x s TYR 91 CO 0.03 0.41 -0.13 0.00 -1.57 0.00 0.00 175.55 174.29 1n0x s ALA 93 N -1.07 -0.47 0.16 0.00 0.00 0.07 -1.09 121.76 119.36 1n0x s ALA 93 Ca 0.18 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 1n0x s ALA 93 Cb -0.11 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.63 1n0x s ALA 93 CO 0.09 -0.09 0.58 0.50 0.00 0.00 0.00 175.76 176.84 1n0x s ARG 94 N 0.12 4.02 0.99 0.00 3.52 -0.16 0.10 118.95 127.53 1n0x s ARG 94 Ca -0.00 0.55 -0.14 0.00 -0.13 0.00 0.00 55.73 56.00 1n0x s ARG 94 Cb -0.01 -2.92 0.18 0.00 -1.56 0.00 0.00 34.95 30.64 1n0x s ARG 94 CO 0.00 0.46 1.16 0.14 -0.81 0.00 0.00 175.30 176.25 1n0x s VAL 95 N -1.48 1.92 0.77 7.11 -7.23 -0.86 -0.79 120.40 119.84 1n0x s VAL 95 Ca 0.39 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.50 1n0x s VAL 95 Cb -0.15 -2.72 0.13 0.00 0.56 0.00 0.00 36.38 34.20 1n0x s VAL 95 CO 0.19 0.00 1.08 -0.83 -0.31 0.00 0.00 175.10 175.23 1n0x s GLY 96 N -4.11 1.75 0.98 2.32 0.00 0.09 -4.55 107.32 103.81 1n0x s GLY 96 Ca 0.67 -1.39 -0.15 0.00 0.00 0.00 0.00 44.72 43.85 1n0x s GLY 96 CO 0.54 -0.81 1.21 2.56 0.00 0.00 0.00 173.10 176.59 1n0x s PRO 97 N -5.35 0.55 0.10 2.90 0.04 -1.26 -4.88 135.00 127.10 1n0x s PRO 97 Ca 0.66 -0.07 -0.02 0.00 0.04 0.00 0.00 61.00 61.62 1n0x s PRO 97 Cb -0.06 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1n0x s PRO 97 CO 0.46 -2.53 0.04 1.52 0.04 0.00 0.00 177.00 176.53 1n0x s TYR 98 N -3.48 0.66 0.13 0.56 -0.85 -1.26 -4.71 117.35 108.39 1n0x s TYR 98 Ca 0.69 -1.10 0.08 0.00 -0.52 0.00 0.00 57.07 56.21 1n0x s TYR 98 Cb -0.09 -0.40 -0.04 0.00 0.38 0.00 0.00 41.96 41.81 1n0x s TYR 98 CO 0.53 -0.48 -0.10 -1.12 -1.52 0.00 0.00 175.55 172.87 1n0x s SER 99 N -2.98 4.33 0.00 -0.18 0.01 -1.26 -5.06 113.70 108.56 1n0x s SER 99 Ca 0.16 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1n0x s SER 99 Cb 0.07 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.51 1n0x s SER 99 CO -0.04 0.15 0.00 -2.67 0.41 0.00 0.00 173.24 171.10 1n0x n TRP 100 N 0.49 0.00 -1.39 2.43 4.27 -1.26 -4.86 117.44 117.11 1n0x n TRP 100 Ca -0.13 0.00 0.19 0.00 -3.89 0.00 0.00 57.50 53.67 1n0x n TRP 100 Cb 0.53 -0.09 -0.05 0.00 -1.36 0.00 0.00 31.31 30.34 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 0.97 -8.29 -4.96 -0.67 8.00 -1.26 -5.14 116.55 105.19 1n0x n ASP 100 Ca 0.00 0.68 -0.22 0.00 0.71 0.00 0.00 54.79 55.96 1n0x n ASP 100 Cb 0.00 -4.29 -0.02 0.00 -0.02 0.00 0.00 41.12 36.79 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 -7.02 6.32 0.37 -2.24 0.01 -1.26 -5.05 113.70 104.83 1n0x s SER 100 Ca 0.00 0.14 -0.25 0.00 1.31 0.00 0.00 55.95 57.14 1n0x s SER 100 Cb 0.00 -1.89 -0.12 0.00 0.21 0.00 0.00 66.02 64.22 1n0x s SER 100 CO 0.00 -0.08 0.93 -2.65 0.41 0.00 0.00 173.24 171.85 1n0x n PRO 100 N -1.34 1.22 -1.22 12.44 -0.02 -1.26 -2.41 135.00 142.40 1n0x n PRO 100 Ca -0.08 0.43 -0.10 0.00 -2.02 0.00 0.00 63.50 61.73 1n0x n PRO 100 Cb 0.56 -1.87 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 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 0.44 -1.66 0.24 -0.52 6.02 -1.26 -4.85 117.38 115.79 1n0x n GLN 100 Ca 0.10 0.78 0.09 0.00 -0.01 0.00 0.00 57.00 57.96 1n0x n GLN 100 Cb 0.36 -5.05 0.61 0.00 1.02 0.00 0.00 30.24 27.19 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 -3.27 1.08 3.45 -1.89 -3.43 116.42 112.36 1n0x h ASP 100 Ca -0.20 0.00 -0.75 0.00 0.43 0.00 0.00 57.03 56.51 1n0x h ASP 100 Cb 1.02 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 39.57 1n0x h ASP 100 CO 0.30 0.17 0.34 0.54 -1.57 0.00 0.00 179.24 179.02 1n0x s ASN 100 N -6.47 6.67 0.00 6.45 4.22 -1.26 -5.04 114.94 119.51 1n0x s ASN 100 Ca -0.03 -2.37 0.00 0.00 -2.14 0.00 0.00 52.86 48.32 1n0x s ASN 100 Cb 0.14 -2.28 0.00 0.00 1.28 0.00 0.00 41.25 40.39 1n0x s ASN 100 CO 0.63 -0.78 0.00 0.00 -2.04 0.00 0.00 177.10 174.91 1n0x n TYR 100 N 5.02 0.00 -3.08 1.54 0.18 -1.26 -0.73 117.16 118.83 1n0x n TYR 100 Ca 0.15 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.48 1n0x n TYR 100 Cb 0.47 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.42 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 -1.11 3.81 0.08 -3.48 -1.94 -1.26 -4.03 119.30 111.37 1n0x s MET 100 Ca 0.00 -2.33 -0.24 0.00 -1.71 0.00 0.00 55.69 51.41 1n0x s MET 100 Cb 0.00 -4.79 -0.16 0.00 2.01 0.00 0.00 34.83 31.89 1n0x s MET 100 CO 0.00 -1.59 1.70 0.22 -0.01 0.00 0.00 175.02 175.35 1n0x h ASP 101 N 7.88 -0.09 -3.54 3.03 3.58 -1.20 -3.43 116.42 122.64 1n0x h ASP 101 Ca 0.19 -0.02 -0.37 0.00 0.42 0.00 0.00 57.03 57.25 1n0x h ASP 101 Cb 0.97 0.02 -0.33 0.00 1.72 0.00 0.00 39.33 41.71 1n0x h ASP 101 CO 1.05 -0.04 -0.76 -0.69 -2.88 0.00 0.00 179.24 175.92 1n0x s VAL 102 N -6.09 0.36 0.12 2.25 1.01 -1.14 -4.98 120.40 111.93 1n0x s VAL 102 Ca -0.14 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1n0x s VAL 102 Cb 0.05 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1n0x s VAL 102 CO 0.65 0.17 0.06 0.26 0.00 0.00 0.00 175.10 176.24 1n0x s TRP 103 N 0.79 3.07 0.70 5.22 0.52 -1.26 -0.99 118.94 126.98 1n0x s TRP 103 Ca -0.09 -0.01 -0.07 0.00 0.02 0.00 0.00 56.10 55.95 1n0x s TRP 103 Cb -0.12 -1.53 0.05 0.00 -1.15 0.00 0.00 33.47 30.72 1n0x s TRP 103 CO -0.01 0.51 1.02 0.20 0.02 0.00 0.00 176.95 178.69 1n0x s GLY 104 N -2.62 1.66 0.00 0.98 0.00 -0.25 -4.75 107.32 102.34 1n0x s GLY 104 Ca 0.28 -0.83 0.31 0.00 0.00 0.00 0.00 44.72 44.48 1n0x s GLY 104 CO 0.21 -0.44 2.12 0.58 0.00 0.00 0.00 173.10 175.57 1n0x n LYS 105 N -2.91 0.71 0.00 2.90 2.85 -1.26 -4.74 118.16 115.71 1n0x n LYS 105 Ca 0.07 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1n0x n LYS 105 Cb 0.60 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.48 1n0x n LYS 105 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1n0x n GLY 106 N 1.15 -0.01 3.17 2.58 0.00 -1.26 -5.02 105.19 105.81 1n0x n GLY 106 Ca 0.19 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.90 1.89 0.01 2.61 2.01 0.21 -4.89 115.64 114.57 1n0x s THR 107 Ca 0.00 -0.91 -0.25 0.00 0.31 0.00 0.00 61.69 60.84 1n0x s THR 107 Cb 0.00 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 1n0x s THR 107 CO 0.00 0.52 0.76 -0.89 -0.69 0.00 0.00 174.62 174.32 1n0x s THR 108 N 0.49 4.82 -0.10 -0.82 2.01 -1.26 -0.16 115.64 120.62 1n0x s THR 108 Ca -0.16 1.61 0.01 0.00 0.31 0.00 0.00 61.69 63.46 1n0x s THR 108 Cb -0.17 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.25 1n0x s THR 108 CO 0.06 0.32 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.50 1n0x s VAL 109 N 0.24 1.30 -0.13 3.82 1.01 -0.33 -0.24 120.40 126.06 1n0x s VAL 109 Ca 0.39 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1n0x s VAL 109 Cb -0.20 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1n0x s VAL 109 CO 0.22 0.40 -0.09 -0.63 0.00 0.00 0.00 175.10 175.01 1n0x s ILE 110 N 1.14 3.44 -0.18 2.22 -1.09 0.08 -1.54 121.20 125.27 1n0x s ILE 110 Ca -0.04 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 57.86 1n0x s ILE 110 Cb -0.14 -2.47 0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1n0x s ILE 110 CO -0.03 0.52 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.33 1n0x s VAL 111 N 0.25 2.00 0.01 2.92 1.01 -1.26 0.37 120.40 125.70 1n0x s VAL 111 Ca -0.06 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 1n0x s VAL 111 Cb -0.15 -1.85 0.07 0.00 0.00 0.00 0.00 36.38 34.45 1n0x s VAL 111 CO 0.04 0.47 0.66 -0.55 0.00 0.00 0.00 175.10 175.72 1n0x s SER 112 N 1.30 -0.63 0.00 3.32 0.15 -0.14 -4.53 113.70 113.17 1n0x s SER 112 Ca 0.04 0.52 0.28 0.00 0.70 0.00 0.00 55.95 57.49 1n0x s SER 112 Cb -0.14 0.56 1.13 0.00 -1.71 0.00 0.00 66.02 65.86 1n0x s SER 112 CO -0.12 -0.71 1.80 -1.54 1.20 0.00 0.00 173.24 173.87 1n0x n SER 113 N 0.56 0.64 -4.73 5.45 3.41 -1.26 -4.05 113.62 113.64 1n0x n SER 113 Ca -0.18 -0.71 -0.32 0.00 -0.26 0.00 0.00 58.87 57.40 1n0x n SER 113 Cb 0.59 -0.02 0.12 0.00 -0.26 0.00 0.00 64.21 64.64 1n0x n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n0x s ALA 114 N -2.44 1.95 0.18 7.33 0.00 -1.26 -5.05 121.76 122.46 1n0x s ALA 114 Ca 0.29 0.49 0.09 0.00 0.00 0.00 0.00 51.96 52.83 1n0x s ALA 114 Cb 0.20 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1n0x s ALA 114 CO 0.47 -2.14 -0.10 -1.12 0.00 0.00 0.00 175.76 172.88 1n0x s SER 115 N -2.88 4.26 0.24 0.00 0.01 -1.26 -5.00 113.70 109.06 1n0x s SER 115 Ca 0.65 -0.57 -0.31 0.00 1.31 0.00 0.00 55.95 57.03 1n0x s SER 115 Cb -0.21 -0.72 -0.14 0.00 0.21 0.00 0.00 66.02 65.16 1n0x s SER 115 CO 0.54 0.11 1.38 0.41 0.41 0.00 0.00 173.24 176.10 1n0x n THR 116 N 0.08 0.98 -3.67 1.44 -1.04 -1.26 -4.67 114.28 106.15 1n0x n THR 116 Ca -0.11 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.05 61.55 1n0x n THR 116 Cb 0.55 -1.43 -0.09 0.00 -1.82 0.00 0.00 70.33 67.55 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 -0.45 0.60 0.53 -2.82 2.20 0.23 -4.93 119.74 115.09 1n0x s LYS 117 Ca 0.68 0.96 -0.18 0.00 -0.36 0.00 0.00 55.97 57.06 1n0x s LYS 117 Cb -0.66 0.15 -0.07 0.00 -1.51 0.00 0.00 37.83 35.74 1n0x s LYS 117 CO 0.50 -0.13 1.05 0.20 -0.36 0.00 0.00 175.35 176.61 1n0x s GLY 118 N 1.15 2.35 0.70 5.54 0.00 -1.26 -1.72 107.32 114.08 1n0x s GLY 118 Ca -0.07 0.52 -0.11 0.00 0.00 0.00 0.00 44.72 45.05 1n0x s GLY 118 CO -0.11 0.83 1.09 2.56 0.00 0.00 0.00 173.10 177.47 1n0x s PRO 119 N -3.58 2.87 -0.14 2.90 0.04 -1.26 -4.59 135.00 131.23 1n0x s PRO 119 Ca 0.66 0.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.16 1n0x s PRO 119 Cb -0.16 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1n0x s PRO 119 CO 0.27 -1.04 -0.01 -1.12 0.04 0.00 0.00 177.00 175.14 1n0x s SER 120 N -4.31 5.05 -0.25 6.66 0.01 -0.31 -4.93 113.70 115.61 1n0x s SER 120 Ca 0.58 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.75 1n0x s SER 120 Cb -0.11 -1.73 -0.02 0.00 0.21 0.00 0.00 66.02 64.38 1n0x s SER 120 CO 0.52 0.22 0.04 -0.69 0.41 0.00 0.00 173.24 173.75 1n0x s VAL 121 N 0.05 3.99 0.03 3.43 1.01 -1.26 -1.03 120.40 126.62 1n0x s VAL 121 Ca 0.02 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1n0x s VAL 121 Cb -0.13 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1n0x s VAL 121 CO 0.02 0.31 -0.14 -0.36 0.00 0.00 0.00 175.10 174.94 1n0x s PHE 122 N 1.56 2.68 0.42 5.22 2.99 0.27 -4.92 117.98 126.20 1n0x s PHE 122 Ca 0.06 -0.17 -0.22 0.00 0.00 0.00 0.00 56.93 56.59 1n0x s PHE 122 Cb -0.15 -1.52 -0.10 0.00 0.00 0.00 0.00 43.02 41.25 1n0x s PHE 122 CO 0.02 0.30 1.00 -1.25 -0.00 0.00 0.00 175.22 175.28 1n0x s PRO 123 N -1.43 4.13 -0.63 0.24 0.04 -1.26 0.57 135.00 136.67 1n0x s PRO 123 Ca 0.16 1.31 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 1n0x s PRO 123 Cb -0.11 -2.32 0.16 0.00 0.04 0.00 0.00 34.50 32.27 1n0x s PRO 123 CO 0.06 -0.13 0.43 -0.51 0.04 0.00 0.00 177.00 176.89 1n0x s LEU 124 N -2.99 4.97 0.20 -3.56 1.43 0.68 -4.77 118.68 114.65 1n0x s LEU 124 Ca 0.61 -3.07 -0.30 0.00 -1.03 0.00 0.00 54.13 50.34 1n0x s LEU 124 Cb -0.16 -1.78 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 1n0x s LEU 124 CO 0.20 -0.29 1.43 0.00 0.23 0.00 0.00 176.35 177.92 1n0x s ALA 125 N -0.37 3.63 0.83 4.21 0.00 -1.26 -1.41 121.76 127.39 1n0x s ALA 125 Ca 0.19 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 1n0x s ALA 125 Cb -0.20 -3.55 0.09 0.00 0.00 0.00 0.00 23.12 19.47 1n0x s ALA 125 CO -0.04 -0.69 1.18 -1.25 0.00 0.00 0.00 175.76 174.97 1n0x s PRO 126 N 0.17 1.80 0.00 0.00 0.04 -1.25 -4.91 135.00 130.85 1n0x s PRO 126 Ca 0.61 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1n0x s PRO 126 Cb -0.40 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1n0x s PRO 126 CO 0.38 -1.71 0.45 0.45 0.04 0.00 0.00 177.00 176.61 1n0x n SER 127 N -3.39 -0.06 -1.59 6.66 2.88 -1.26 -4.56 113.62 112.29 1n0x n SER 127 Ca 0.08 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 1n0x n SER 127 Cb 0.61 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1n0x n SER 127 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1n0x n SER 128 N 0.00 -8.40 -2.22 -3.46 2.88 -1.26 -5.11 113.62 96.05 1n0x n SER 128 Ca -0.02 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1n0x n SER 128 Cb 0.43 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 1n0x n SER 128 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1n0x n THR 137 N 0.21 0.00 -3.69 2.46 -2.24 -1.26 -4.86 114.28 104.90 1n0x n THR 137 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1n0x n THR 137 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1n0x n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n0x s ALA 138 N -1.43 4.06 -0.05 6.98 0.00 -0.03 -4.88 121.76 126.42 1n0x s ALA 138 Ca 0.00 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.05 1n0x s ALA 138 Cb 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1n0x s ALA 138 CO 0.00 -0.27 0.20 0.00 0.00 0.00 0.00 175.76 175.69 1n0x s ALA 139 N -2.55 -0.50 0.24 0.00 0.00 -1.26 -0.73 121.76 116.95 1n0x s ALA 139 Ca 0.45 0.38 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 1n0x s ALA 139 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1n0x s ALA 139 CO 0.26 -0.14 0.38 -0.48 0.00 0.00 0.00 175.76 175.78 1n0x s LEU 140 N -0.42 0.57 0.00 0.00 0.05 -0.71 -3.84 118.68 114.33 1n0x s LEU 140 Ca -0.05 -1.08 0.00 0.00 0.05 0.00 0.00 54.13 53.05 1n0x s LEU 140 Cb -0.03 1.37 0.00 0.00 -2.05 0.00 0.00 46.19 45.48 1n0x s LEU 140 CO 0.01 -1.06 0.00 0.61 -0.55 0.00 0.00 176.35 175.36 1n0x n GLY 141 N -0.36 0.71 2.94 -3.48 0.00 -0.50 -0.83 105.19 103.67 1n0x n GLY 141 Ca -0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 0.13 4.54 -0.56 0.00 2.96 0.19 -1.75 118.68 124.20 1n0x s LEU 143 Ca -0.01 -0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 53.12 1n0x s LEU 143 Cb -0.05 -2.09 0.13 0.00 0.50 0.00 0.00 46.19 44.68 1n0x s LEU 143 CO -0.00 -0.28 0.54 -0.69 -1.32 0.00 0.00 176.35 174.60 1n0x s VAL 144 N 1.66 5.15 0.07 1.68 1.01 0.37 -0.57 120.40 129.79 1n0x s VAL 144 Ca 0.05 -1.44 0.06 0.00 0.00 0.00 0.00 61.98 60.65 1n0x s VAL 144 Cb -0.18 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1n0x s VAL 144 CO 0.09 -0.92 -0.09 -0.75 0.00 0.00 0.00 175.10 173.43 1n0x s LYS 145 N 1.76 2.27 -0.94 2.72 2.20 -0.19 -0.96 119.74 126.59 1n0x s LYS 145 Ca 0.05 -0.93 -0.06 0.00 -0.36 0.00 0.00 55.97 54.66 1n0x s LYS 145 Cb -0.29 -2.37 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 1n0x s LYS 145 CO 0.03 0.54 0.79 -0.25 -0.36 0.00 0.00 175.35 176.10 1n0x n ASP 146 N 0.96 -6.66 -4.34 1.43 8.00 -0.17 -1.17 116.55 114.60 1n0x n ASP 146 Ca -0.14 -0.57 -0.18 0.00 0.71 0.00 0.00 54.79 54.61 1n0x n ASP 146 Cb 0.52 -4.60 -0.10 0.00 -0.02 0.00 0.00 41.12 36.92 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 -3.24 1.66 -0.28 1.24 1.13 -0.93 -4.33 117.35 112.60 1n0x s TYR 147 Ca 0.27 -0.70 -0.21 0.00 -1.41 0.00 0.00 57.07 55.01 1n0x s TYR 147 Cb -0.06 -0.86 0.09 0.00 -1.10 0.00 0.00 41.96 40.03 1n0x s TYR 147 CO 0.78 0.22 0.76 0.12 -2.51 0.00 0.00 175.55 174.92 1n0x s PHE 148 N -3.13 -0.84 0.12 -3.49 5.36 -0.70 -0.39 117.98 114.91 1n0x s PHE 148 Ca 0.24 1.86 0.01 0.00 -0.96 0.00 0.00 56.93 58.08 1n0x s PHE 148 Cb 0.02 0.42 0.02 0.00 -0.34 0.00 0.00 43.02 43.14 1n0x s PHE 148 CO 0.07 -0.41 0.17 -0.35 -1.46 0.00 0.00 175.22 173.24 1n0x n PRO 149 N 3.30 0.81 -1.51 10.12 -0.04 -1.26 -0.60 135.00 145.81 1n0x n PRO 149 Ca -0.16 -0.60 -0.31 0.00 -0.04 0.00 0.00 63.50 62.39 1n0x n PRO 149 Cb 0.57 -0.07 0.06 0.00 -0.04 0.00 0.00 33.50 34.02 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 -2.62 2.75 0.53 0.54 2.02 -1.26 -4.75 118.70 115.91 1n0x s GLU 150 Ca 0.12 0.97 0.07 0.00 0.02 0.00 0.00 54.97 56.15 1n0x s GLU 150 Cb -0.01 -1.97 0.04 0.00 0.10 0.00 0.00 34.13 32.29 1n0x s GLU 150 CO 0.08 -1.24 0.48 -1.25 0.02 0.00 0.00 175.26 173.35 1n0x s PRO 151 N -5.03 2.31 0.02 0.39 0.04 -1.26 -5.00 135.00 126.48 1n0x s PRO 151 Ca 0.59 -1.85 0.03 0.00 0.04 0.00 0.00 61.00 59.80 1n0x s PRO 151 Cb -0.15 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1n0x s PRO 151 CO 0.55 -0.60 -0.09 0.54 0.04 0.00 0.00 177.00 177.44 1n0x s VAL 152 N -2.70 0.69 -0.02 -0.36 0.11 -1.26 -4.49 120.40 112.37 1n0x s VAL 152 Ca 0.43 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.80 1n0x s VAL 152 Cb -0.03 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1n0x s VAL 152 CO 0.26 -0.04 -0.08 0.42 -3.33 0.00 0.00 175.10 172.33 1n0x s THR 153 N -0.70 3.57 -0.05 5.04 -4.23 0.22 -4.97 115.64 114.53 1n0x s THR 153 Ca -0.01 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 1n0x s THR 153 Cb -0.06 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1n0x s THR 153 CO 0.00 0.46 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.81 1n0x s VAL 154 N -0.93 0.50 0.21 2.29 1.01 -1.26 -1.38 120.40 120.85 1n0x s VAL 154 Ca 0.15 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1n0x s VAL 154 Cb -0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1n0x s VAL 154 CO 0.05 0.23 -0.05 -0.94 0.00 0.00 0.00 175.10 174.38 1n0x s SER 156 N 1.06 2.05 -0.06 3.32 1.04 -0.71 -4.96 113.70 115.44 1n0x s SER 156 Ca -0.09 -1.14 0.05 0.00 0.48 0.00 0.00 55.95 55.25 1n0x s SER 156 Cb -0.14 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1n0x s SER 156 CO -0.01 -0.40 -0.20 0.26 0.98 0.00 0.00 173.24 173.88 1n0x s TRP 157 N -3.28 2.57 -1.45 5.02 0.52 -1.26 -0.01 118.94 121.04 1n0x s TRP 157 Ca 0.25 -0.48 -0.00 0.00 0.02 0.00 0.00 56.10 55.89 1n0x s TRP 157 Cb 0.04 -1.63 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 1n0x s TRP 157 CO 0.07 -0.05 0.29 0.09 0.02 0.00 0.00 176.95 177.36 1n0x n ASN 162 N 2.75 0.08 -1.95 2.95 3.02 0.99 -0.29 115.26 122.80 1n0x n ASN 162 Ca -0.17 -1.09 -0.21 0.00 -0.03 0.00 0.00 54.58 53.08 1n0x n ASN 162 Cb 0.52 -2.59 -0.05 0.00 -0.61 0.00 0.00 39.78 37.05 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 -2.95 -5.66 0.00 6.41 7.64 -1.26 -1.39 113.62 116.41 1n0x n SER 163 Ca -0.31 0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1n0x n SER 163 Cb 0.69 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 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 -0.66 0.64 0.17 0.23 0.00 0.60 -4.92 105.19 101.25 1n0x n GLY 164 Ca -0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 1.18 -2.73 4.61 0.00 -1.05 -3.40 119.26 117.87 1n0x h ALA 165 Ca 0.00 -0.41 -0.70 0.00 0.00 0.00 0.00 54.91 53.80 1n0x h ALA 165 Cb 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 17.50 1n0x h ALA 165 CO 0.00 0.56 -0.50 -1.17 0.00 0.00 0.00 179.25 178.15 1n0x s LEU 166 N -7.78 4.65 0.00 0.00 2.96 -1.00 -4.86 118.68 112.65 1n0x s LEU 166 Ca -0.02 -0.76 0.00 0.00 -0.22 0.00 0.00 54.13 53.13 1n0x s LEU 166 Cb 0.13 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1n0x s LEU 166 CO 0.73 -0.33 0.00 0.35 -1.32 0.00 0.00 176.35 175.78 1n0x n THR 167 N 5.06 0.00 -2.17 3.68 -2.24 -1.26 -4.18 114.28 113.16 1n0x n THR 167 Ca -0.12 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1n0x n THR 167 Cb 0.48 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 1n0x n THR 167 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1n0x s SER 168 N -2.04 6.84 0.00 3.42 0.15 -1.26 -2.90 113.70 117.91 1n0x s SER 168 Ca 0.00 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.09 1n0x s SER 168 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1n0x s SER 168 CO 0.00 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1n0x n GLY 169 N 2.50 0.52 3.73 9.45 0.00 -1.26 -4.69 105.19 115.45 1n0x n GLY 169 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.42 4.64 -0.10 1.61 1.01 -1.14 -2.30 120.40 121.70 1n0x s VAL 171 Ca 0.00 1.87 -0.03 0.00 0.00 0.00 0.00 61.98 63.82 1n0x s VAL 171 Cb 0.00 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.20 1n0x s VAL 171 CO 0.00 0.32 0.06 -1.00 0.00 0.00 0.00 175.10 174.48 1n0x s HIS 172 N 0.08 0.27 -0.27 5.22 3.76 -0.00 -4.99 115.29 119.36 1n0x s HIS 172 Ca 0.43 -0.09 -0.06 0.00 -0.15 0.00 0.00 55.06 55.19 1n0x s HIS 172 Cb -0.22 -0.64 -0.00 0.00 1.11 0.00 0.00 32.58 32.83 1n0x s HIS 172 CO 0.26 -0.36 0.06 0.99 -0.85 0.00 0.00 174.74 174.84 1n0x s THR 173 N 2.11 3.93 0.52 1.30 2.01 -1.26 -0.59 115.64 123.66 1n0x s THR 173 Ca 0.03 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.34 1n0x s THR 173 Cb -0.14 -2.95 -0.07 0.00 0.01 0.00 0.00 72.50 69.36 1n0x s THR 173 CO -0.06 0.19 0.97 -0.36 -0.69 0.00 0.00 174.62 174.67 1n0x s PHE 174 N 1.52 3.50 0.37 4.92 0.08 -0.48 -5.01 117.98 122.88 1n0x s PHE 174 Ca 0.04 1.37 -0.28 0.00 0.12 0.00 0.00 56.93 58.18 1n0x s PHE 174 Cb -0.16 -2.73 -0.10 0.00 -0.57 0.00 0.00 43.02 39.46 1n0x s PHE 174 CO 0.02 -0.41 1.34 -2.14 -0.10 0.00 0.00 175.22 173.93 1n0x s PRO 175 N -4.31 4.16 0.58 0.24 0.02 -1.26 -4.56 135.00 129.87 1n0x s PRO 175 Ca 0.57 2.26 -0.18 0.00 0.02 0.00 0.00 61.00 63.67 1n0x s PRO 175 Cb -0.10 -2.93 -0.04 0.00 0.02 0.00 0.00 34.50 31.44 1n0x s PRO 175 CO 0.37 -0.37 1.12 0.00 -0.33 0.00 0.00 177.00 177.79 1n0x s ALA 176 N -1.18 2.64 0.01 -1.55 0.00 -1.26 -4.81 121.76 115.60 1n0x s ALA 176 Ca 0.53 0.72 0.05 0.00 0.00 0.00 0.00 51.96 53.26 1n0x s ALA 176 Cb -0.40 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 1n0x s ALA 176 CO 0.53 -0.90 -0.12 0.14 0.00 0.00 0.00 175.76 175.42 1n0x s VAL 177 N -1.96 3.23 -0.20 0.00 -7.23 -0.02 -4.92 120.40 109.30 1n0x s VAL 177 Ca 0.71 -0.90 -0.16 0.00 -1.81 0.00 0.00 61.98 59.81 1n0x s VAL 177 Cb -0.22 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1n0x s VAL 177 CO 0.31 0.41 0.41 -0.22 -0.31 0.00 0.00 175.10 175.71 1n0x s LEU 178 N -1.29 4.16 0.57 1.32 2.96 -1.26 -1.71 118.68 123.44 1n0x s LEU 178 Ca 0.15 0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 54.57 1n0x s LEU 178 Cb -0.11 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.06 1n0x s LEU 178 CO 0.05 -0.08 0.85 -1.10 -1.32 0.00 0.00 176.35 174.75 1n0x s GLN 179 N 1.30 2.80 0.55 1.98 -0.21 -0.03 -4.96 119.66 121.08 1n0x s GLN 179 Ca 0.20 -0.24 0.22 0.00 0.02 0.00 0.00 55.36 55.56 1n0x s GLN 179 Cb -0.15 -2.35 1.47 0.00 1.00 0.00 0.00 33.01 32.98 1n0x s GLN 179 CO 0.08 -0.69 2.14 0.77 -2.12 0.00 0.00 175.29 175.47 1n0x h SER 180 N -0.08 0.00 0.56 5.90 0.02 -1.98 0.86 113.55 118.82 1n0x h SER 180 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1n0x h SER 180 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1n0x h SER 180 CO 0.59 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.74 1n0x n SER 182 N -4.25 0.39 0.00 3.07 3.41 -1.26 -4.83 113.62 110.15 1n0x n SER 182 Ca -0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1n0x n SER 182 Cb 0.21 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1n0x n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n0x n GLY 183 N -0.17 0.73 3.86 5.00 0.00 0.29 -4.97 105.19 109.93 1n0x n GLY 183 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 4.14 0.51 0.99 1.43 -1.25 -4.84 118.68 119.65 1n0x s LEU 184 Ca 0.00 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1n0x s LEU 184 Cb 0.00 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 1n0x s LEU 184 CO 0.00 0.20 0.78 -0.31 0.23 0.00 0.00 176.35 177.25 1n0x s TYR 185 N -1.41 3.33 -0.15 0.29 1.51 0.47 -0.85 117.35 120.53 1n0x s TYR 185 Ca 0.31 0.53 -0.13 0.00 -1.01 0.00 0.00 57.07 56.76 1n0x s TYR 185 Cb -0.13 -2.46 0.04 0.00 -0.11 0.00 0.00 41.96 39.31 1n0x s TYR 185 CO 0.23 -0.50 0.40 0.45 -1.11 0.00 0.00 175.55 175.02 1n0x s SER 186 N -4.22 -0.43 0.07 2.29 0.15 -0.69 -1.00 113.70 109.87 1n0x s SER 186 Ca 0.50 0.82 -0.12 0.00 0.70 0.00 0.00 55.95 57.85 1n0x s SER 186 Cb -0.10 0.81 0.01 0.00 -1.71 0.00 0.00 66.02 65.03 1n0x s SER 186 CO 0.42 -0.15 0.26 -1.48 1.20 0.00 0.00 173.24 173.50 1n0x s LEU 187 N 0.37 1.07 0.11 3.45 0.05 -0.14 -0.84 118.68 122.75 1n0x s LEU 187 Ca -0.01 -0.41 0.09 0.00 0.05 0.00 0.00 54.13 53.85 1n0x s LEU 187 Cb -0.04 1.27 -0.04 0.00 -2.05 0.00 0.00 46.19 45.33 1n0x s LEU 187 CO -0.01 -0.69 -0.24 -0.44 -0.55 0.00 0.00 176.35 174.42 1n0x s SER 188 N -2.49 2.90 -0.07 1.48 0.01 -1.26 -0.47 113.70 113.79 1n0x s SER 188 Ca 0.00 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1n0x s SER 188 Cb 0.02 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1n0x s SER 188 CO -0.08 0.12 -0.06 -0.55 0.41 0.00 0.00 173.24 173.08 1n0x s SER 189 N -1.93 1.57 0.36 2.44 0.15 -0.72 -1.38 113.70 114.20 1n0x s SER 189 Ca 0.10 -0.20 0.06 0.00 0.70 0.00 0.00 55.95 56.61 1n0x s SER 189 Cb -0.10 -0.63 -0.07 0.00 -1.71 0.00 0.00 66.02 63.51 1n0x s SER 189 CO 0.05 -0.08 0.01 0.68 1.20 0.00 0.00 173.24 175.10 1n0x s VAL 190 N 1.25 1.72 -0.24 4.45 -7.23 0.24 -0.68 120.40 119.91 1n0x s VAL 190 Ca -0.05 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 57.94 1n0x s VAL 190 Cb -0.14 -2.83 0.07 0.00 0.56 0.00 0.00 36.38 34.04 1n0x s VAL 190 CO -0.02 -0.06 0.60 0.54 -0.31 0.00 0.00 175.10 175.85 1n0x s VAL 191 N -2.93 -0.01 -0.04 1.32 0.11 -0.01 -0.82 120.40 118.03 1n0x s VAL 191 Ca 0.35 0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 59.22 1n0x s VAL 191 Cb 0.08 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1n0x s VAL 191 CO 0.16 0.01 0.56 0.42 -3.33 0.00 0.00 175.10 172.93 1n0x s THR 192 N 1.33 5.00 0.08 5.04 -4.23 -0.97 -1.73 115.64 120.15 1n0x s THR 192 Ca -0.08 1.16 0.01 0.00 -1.18 0.00 0.00 61.69 61.60 1n0x s THR 192 Cb -0.06 -3.90 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 1n0x s THR 192 CO -0.14 0.39 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.59 1n0x s VAL 193 N 0.02 0.54 0.20 2.29 1.01 0.09 -4.68 120.40 119.88 1n0x s VAL 193 Ca 0.30 -1.89 -0.31 0.00 0.00 0.00 0.00 61.98 60.08 1n0x s VAL 193 Cb -0.17 -1.62 -0.11 0.00 0.00 0.00 0.00 36.38 34.48 1n0x s VAL 193 CO 0.15 -0.91 1.61 -2.84 0.00 0.00 0.00 175.10 173.11 1n0x s PRO 194 N -3.84 4.18 0.35 2.72 0.02 -1.26 -0.85 135.00 136.32 1n0x s PRO 194 Ca 0.10 2.46 0.05 0.00 0.02 0.00 0.00 61.00 63.63 1n0x s PRO 194 Cb 0.06 -3.11 0.70 0.00 0.02 0.00 0.00 34.50 32.17 1n0x s PRO 194 CO -0.06 -0.64 1.96 1.03 -0.33 0.00 0.00 177.00 178.96 1n0x h SER 195 N 6.35 0.70 0.51 2.53 0.87 -1.90 -1.21 113.55 121.40 1n0x h SER 195 Ca -0.44 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1n0x h SER 195 Cb 1.21 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1n0x h SER 195 CO 0.90 0.46 0.00 -1.20 -0.53 0.00 0.00 176.83 176.46 1n0x n SER 196 N -4.47 0.02 0.02 6.23 7.64 -1.26 -2.49 113.62 119.30 1n0x n SER 196 Ca 0.10 0.51 0.12 0.00 1.01 0.00 0.00 58.87 60.61 1n0x n SER 196 Cb 0.19 -0.51 0.17 0.00 -1.01 0.00 0.00 64.21 63.05 1n0x n SER 196 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1n0x n SER 197 N -1.52 0.59 -4.69 6.43 3.41 -0.46 -4.79 113.62 112.60 1n0x n SER 197 Ca 0.03 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.03 1n0x n SER 197 Cb 0.17 0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1n0x n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1n0x s LEU 198 N -3.46 4.37 0.00 1.04 1.43 -1.04 -1.00 118.68 120.03 1n0x s LEU 198 Ca 0.08 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1n0x s LEU 198 Cb 0.16 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1n0x s LEU 198 CO 0.73 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1n0x n GLY 199 N 4.09 1.86 0.40 -3.19 0.00 -1.26 -4.82 105.19 102.27 1n0x n GLY 199 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 0.42 -3.39 2.61 -2.24 -0.60 -4.99 114.28 104.08 1n0x n THR 200 Ca 0.00 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 1n0x n THR 200 Cb 0.00 -1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 66.99 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 -2.14 4.31 0.06 -0.78 2.00 -0.17 -5.06 119.66 117.88 1n0x s GLN 203 Ca -0.10 0.33 -0.28 0.00 -2.00 0.00 0.00 55.36 53.31 1n0x s GLN 203 Cb 0.03 -3.43 -0.05 0.00 0.80 0.00 0.00 33.01 30.36 1n0x s GLN 203 CO 0.15 0.19 0.88 0.99 -0.50 0.00 0.00 175.29 177.00 1n0x s THR 205 N 0.55 4.67 -0.19 -0.34 2.01 -1.26 -4.81 115.64 116.27 1n0x s THR 205 Ca 0.23 1.88 0.01 0.00 0.31 0.00 0.00 61.69 64.12 1n0x s THR 205 Cb -0.14 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.16 1n0x s THR 205 CO 0.08 0.31 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.85 1n0x s TYR 206 N 0.18 2.63 -0.09 4.92 1.51 -1.26 -4.95 117.35 120.29 1n0x s TYR 206 Ca 0.44 -1.64 0.02 0.00 -1.01 0.00 0.00 57.07 54.88 1n0x s TYR 206 Cb -0.22 -1.79 0.01 0.00 -0.11 0.00 0.00 41.96 39.86 1n0x s TYR 206 CO 0.26 -0.77 -0.13 0.42 -1.11 0.00 0.00 175.55 174.22 1n0x s ILE 207 N 1.33 1.31 -0.17 2.71 1.01 -1.26 -0.50 121.20 125.63 1n0x s ILE 207 Ca 0.02 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 1n0x s ILE 207 Cb -0.15 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 1n0x s ILE 207 CO -0.10 0.40 0.31 0.00 0.00 0.00 0.00 174.94 175.54 1n0x s ASN 209 N 0.63 6.02 -0.15 0.00 -0.87 0.98 -1.55 114.94 120.00 1n0x s ASN 209 Ca 0.16 -0.91 -0.04 0.00 -1.57 0.00 0.00 52.86 50.49 1n0x s ASN 209 Cb -0.13 -2.13 -0.03 0.00 -0.02 0.00 0.00 41.25 38.94 1n0x s ASN 209 CO 0.05 -0.43 0.00 -0.69 -2.57 0.00 0.00 177.10 173.46 1n0x s VAL 210 N 1.65 4.26 -0.07 1.60 1.01 0.69 -1.73 120.40 127.80 1n0x s VAL 210 Ca 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1n0x s VAL 210 Cb -0.19 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1n0x s VAL 210 CO 0.09 0.51 -0.03 0.21 0.00 0.00 0.00 175.10 175.88 1n0x s ASN 211 N 0.11 1.57 -0.54 3.32 3.04 -0.48 -0.88 114.94 121.07 1n0x s ASN 211 Ca 0.02 -0.15 0.04 0.00 0.04 0.00 0.00 52.86 52.80 1n0x s ASN 211 Cb -0.13 -0.55 0.14 0.00 -1.54 0.00 0.00 41.25 39.17 1n0x s ASN 211 CO 0.02 -0.13 0.31 -2.28 -3.04 0.00 0.00 177.10 171.97 1n0x s HIS 212 N 1.59 3.05 0.30 0.43 5.65 0.06 -0.61 115.29 125.77 1n0x s HIS 212 Ca 0.00 -3.09 0.02 0.00 0.25 0.00 0.00 55.06 52.25 1n0x s HIS 212 Cb -0.13 -2.63 0.59 0.00 -1.18 0.00 0.00 32.58 29.23 1n0x s HIS 212 CO -0.04 -0.71 1.85 0.87 -0.65 0.00 0.00 174.74 176.06 1n0x h LYS 213 N 6.29 0.93 -0.98 2.88 1.57 -1.82 -2.10 116.57 123.34 1n0x h LYS 213 Ca -0.02 -0.06 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 1n0x h LYS 213 Cb 0.87 -0.21 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 1n0x h LYS 213 CO 0.66 0.61 0.61 -1.35 -0.57 0.00 0.00 179.45 179.42 1n0x h PRO 214 N 0.95 0.75 -0.46 3.15 0.11 -1.91 -1.36 132.00 133.23 1n0x h PRO 214 Ca 0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1n0x h PRO 214 Cb 0.48 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1n0x h PRO 214 CO -0.23 0.50 0.00 -1.13 -0.21 0.00 0.00 178.00 176.92 1n0x n SER 215 N -4.67 3.67 -4.00 -2.05 3.41 -1.04 -4.97 113.62 103.97 1n0x n SER 215 Ca 0.21 -2.27 -0.27 0.00 -0.26 0.00 0.00 58.87 56.28 1n0x n SER 215 Cb 0.52 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.66 -0.58 -4.20 4.04 3.02 -0.51 -4.84 115.26 112.85 1n0x n ASN 216 Ca 0.19 -1.02 -0.35 0.00 -0.03 0.00 0.00 54.58 53.37 1n0x n ASN 216 Cb 0.64 -2.96 -0.14 0.00 -0.61 0.00 0.00 39.78 36.70 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 -3.91 2.92 -0.08 3.41 2.01 -0.84 -5.01 115.64 114.14 1n0x s THR 217 Ca 0.08 -1.05 0.04 0.00 0.31 0.00 0.00 61.69 61.07 1n0x s THR 217 Cb -0.04 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.96 1n0x s THR 217 CO 0.90 0.16 -0.20 -0.54 -0.69 0.00 0.00 174.62 174.24 1n0x s LYS 218 N 1.32 2.50 -0.01 4.92 1.02 -1.26 -0.76 119.74 127.47 1n0x s LYS 218 Ca -0.00 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.25 1n0x s LYS 218 Cb -0.17 -1.97 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1n0x s LYS 218 CO -0.04 0.18 -0.02 0.08 -0.92 0.00 0.00 175.35 174.63 1n0x s VAL 219 N 0.31 0.19 -0.27 3.17 1.01 -0.06 -5.01 120.40 119.74 1n0x s VAL 219 Ca -0.14 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1n0x s VAL 219 Cb -0.16 -0.20 0.06 0.00 0.00 0.00 0.00 36.38 36.08 1n0x s VAL 219 CO 0.06 0.08 -0.08 -1.81 0.00 0.00 0.00 175.10 173.35 1n0x s ASP 220 N 0.23 4.55 -0.13 3.32 -0.00 -1.26 -0.22 116.67 123.15 1n0x s ASP 220 Ca -0.02 -1.37 0.01 0.00 -0.00 0.00 0.00 52.55 51.17 1n0x s ASP 220 Cb -0.04 -1.59 -0.00 0.00 -0.00 0.00 0.00 42.92 41.28 1n0x s ASP 220 CO -0.01 -0.21 -0.17 -0.75 -0.00 0.00 0.00 175.17 174.04 1n0x s LYS 221 N 1.14 3.22 -0.08 8.23 2.20 -0.59 -4.94 119.74 128.91 1n0x s LYS 221 Ca -0.08 -0.77 -0.26 0.00 -0.36 0.00 0.00 55.97 54.50 1n0x s LYS 221 Cb -0.20 -2.53 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 1n0x s LYS 221 CO -0.04 0.12 0.84 0.21 -0.36 0.00 0.00 175.35 176.13 1n0x s LYS 222 N 0.54 4.43 -0.24 4.03 2.20 -1.26 -1.15 119.74 128.29 1n0x s LYS 222 Ca -0.11 1.12 -0.06 0.00 -0.36 0.00 0.00 55.97 56.56 1n0x s LYS 222 Cb -0.16 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1n0x s LYS 222 CO 0.04 -0.11 0.04 0.08 -0.36 0.00 0.00 175.35 175.04 1n0x s VAL 225 N 1.33 4.06 0.04 4.02 1.01 0.34 -4.99 120.40 126.23 1n0x s VAL 225 Ca 0.43 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1n0x s VAL 225 Cb -0.18 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1n0x s VAL 225 CO 0.19 0.36 0.08 -1.83 0.00 0.00 0.00 175.10 173.91 1n0x s GLU 226 N 1.57 0.60 0.87 2.72 -1.05 -1.26 -4.43 118.70 117.72 1n0x s GLU 226 Ca 0.06 -0.82 -0.14 0.00 -0.15 0.00 0.00 54.97 53.91 1n0x s GLU 226 Cb -0.15 0.23 -0.02 0.00 -0.44 0.00 0.00 34.13 33.76 1n0x s GLU 226 CO 0.02 -0.15 0.29 -2.30 0.95 0.00 0.00 175.26 174.07 1n0x n PRO 227 N 0.65 -0.05 0.00 -4.83 -0.02 -1.26 -4.72 135.00 124.77 1n0x n PRO 227 Ca -0.18 0.02 0.03 0.00 -2.02 0.00 0.00 63.50 61.35 1n0x n PRO 227 Cb 0.59 -1.72 0.18 0.00 -0.02 0.00 0.00 33.50 32.52 1n0x n PRO 227 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65