#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4c n PRO 2 N 0.00 0.76 -0.42 1.61 -0.04 -1.26 -4.90 135.00 130.76 1n4c n PRO 2 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1n4c n PRO 2 Cb 0.00 -1.24 0.17 0.00 -0.04 0.00 0.00 33.50 32.39 1n4c n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n4c n LEU 3 N 0.40 0.00 -0.32 1.53 4.32 -1.26 -4.97 117.00 116.70 1n4c n LEU 3 Ca 0.00 -0.50 -0.01 0.00 -0.02 0.00 0.00 56.01 55.48 1n4c n LEU 3 Cb 0.30 -0.77 -0.01 0.00 -1.62 0.00 0.00 43.42 41.32 1n4c n LEU 3 CO 0.00 -2.46 0.08 0.61 -1.22 0.00 0.00 177.39 174.40 1n4c n GLY 4 N -2.11 0.12 2.71 -0.72 0.00 -1.26 -5.03 105.19 98.90 1n4c n GLY 4 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 1n4c n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n4c n SER 5 N 0.00 -1.93 -0.05 1.61 3.41 -1.26 -4.98 113.62 110.41 1n4c n SER 5 Ca -0.03 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 1n4c n SER 5 Cb 0.23 1.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 1n4c n SER 5 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1n4c n PRO 6 N 0.40 0.75 0.00 4.33 -0.04 -1.26 -4.08 135.00 135.09 1n4c n PRO 6 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1n4c n PRO 6 Cb 0.72 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 1n4c n PRO 6 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n4c n GLU 7 N -0.43 0.00 -0.81 0.54 1.02 -1.26 -5.06 120.64 114.64 1n4c n GLU 7 Ca 0.00 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1n4c n GLU 7 Cb 0.02 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1n4c n GLU 7 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1n4c n PHE 8 N -1.63 -0.62 -1.35 -0.32 3.72 -1.26 -5.17 117.46 110.84 1n4c n PHE 8 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 1n4c n PHE 8 Cb 0.00 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.73 1n4c n PHE 8 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1n4c n SER 9 N -0.90 -0.95 -4.74 4.37 2.88 -1.26 -4.98 113.62 108.04 1n4c n SER 9 Ca 0.00 -1.22 -0.35 0.00 -1.33 0.00 0.00 58.87 55.96 1n4c n SER 9 Cb 0.00 -0.84 0.06 0.00 -0.75 0.00 0.00 64.21 62.68 1n4c n SER 9 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1n4c s MET 10 N -5.24 2.58 0.92 -1.46 -1.94 -1.26 -5.00 119.30 107.90 1n4c s MET 10 Ca 0.61 1.83 -0.12 0.00 -1.71 0.00 0.00 55.69 56.30 1n4c s MET 10 Cb -0.04 -1.88 0.14 0.00 2.01 0.00 0.00 34.83 35.07 1n4c s MET 10 CO 0.45 -1.52 1.11 -1.25 -0.01 0.00 0.00 175.02 173.80 1n4c s PRO 11 N -3.59 1.08 -1.17 2.03 0.04 -1.26 -4.89 135.00 127.24 1n4c s PRO 11 Ca 0.77 0.46 -0.22 0.00 0.04 0.00 0.00 61.00 62.05 1n4c s PRO 11 Cb -0.31 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1n4c s PRO 11 CO 0.39 -2.27 1.84 -1.01 0.04 0.00 0.00 177.00 175.99 1n4c s HIS 12 N -3.13 2.23 0.00 0.56 3.76 -1.26 -4.72 115.29 112.72 1n4c s HIS 12 Ca 0.64 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 1n4c s HIS 12 Cb -0.16 -4.29 0.00 0.00 1.11 0.00 0.00 32.58 29.24 1n4c s HIS 12 CO 0.55 -1.51 0.00 0.45 -0.85 0.00 0.00 174.74 173.38 1n4c n SER 13 N 12.10 3.61 -2.72 1.40 2.88 -1.26 -5.11 113.62 124.52 1n4c n SER 13 Ca 0.44 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.92 1n4c n SER 13 Cb 0.47 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.99 1n4c n SER 13 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1n4c n SER 14 N 0.00 -2.24 -3.59 -3.46 2.88 -1.26 -5.16 113.62 100.78 1n4c n SER 14 Ca 0.00 -2.72 -0.10 0.00 -1.33 0.00 0.00 58.87 54.72 1n4c n SER 14 Cb 0.00 1.41 0.09 0.00 -0.75 0.00 0.00 64.21 64.96 1n4c n SER 14 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1n4c n PRO 15 N 1.52 -1.53 -3.46 -1.46 -0.02 -1.26 -5.04 135.00 123.75 1n4c n PRO 15 Ca 0.06 -0.45 0.01 0.00 -2.02 0.00 0.00 63.50 61.09 1n4c n PRO 15 Cb 0.66 -1.29 -0.03 0.00 -0.02 0.00 0.00 33.50 32.83 1n4c n PRO 15 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1n4c s GLN 16 N -2.96 0.53 0.21 -0.52 0.74 -1.26 -5.17 119.66 111.24 1n4c s GLN 16 Ca 0.21 1.21 -0.22 0.00 0.05 0.00 0.00 55.36 56.61 1n4c s GLN 16 Cb -0.04 0.71 0.07 0.00 1.10 0.00 0.00 33.01 34.86 1n4c s GLN 16 CO 0.18 -0.31 1.00 0.54 -0.55 0.00 0.00 175.29 176.16 1n4c s ASN 17 N 2.84 -0.01 -0.45 6.67 6.03 -1.26 -5.11 114.94 123.65 1n4c s ASN 17 Ca 0.02 -0.71 0.07 0.00 -1.03 0.00 0.00 52.86 51.21 1n4c s ASN 17 Cb -0.12 0.54 0.26 0.00 -3.03 0.00 0.00 41.25 38.90 1n4c s ASN 17 CO -0.19 -1.07 0.80 0.54 -2.03 0.00 0.00 177.10 175.14 1n4c n ARG 18 N -0.66 0.79 -0.71 3.55 1.74 -1.26 -5.15 116.66 114.97 1n4c n ARG 18 Ca -0.04 -2.27 -0.22 0.00 -0.77 0.00 0.00 57.85 54.55 1n4c n ARG 18 Cb 0.60 -1.36 0.10 0.00 -1.02 0.00 0.00 32.46 30.77 1n4c n ARG 18 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1n4c n PRO 19 N 1.38 -1.19 0.00 5.56 -0.02 -1.26 -4.95 135.00 134.51 1n4c n PRO 19 Ca 0.13 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1n4c n PRO 19 Cb 0.61 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 1n4c n PRO 19 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1n4c n ASN 20 N 0.56 0.00 -4.56 2.55 4.05 -1.26 -5.04 115.26 111.55 1n4c n ASN 20 Ca 0.02 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.67 1n4c n ASN 20 Cb 0.43 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.41 1n4c n ASN 20 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1n4c s TYR 21 N -0.97 2.40 -0.46 1.20 2.02 -1.26 -4.65 117.35 115.64 1n4c s TYR 21 Ca 0.00 -0.60 0.06 0.00 -0.37 0.00 0.00 57.07 56.16 1n4c s TYR 21 Cb 0.00 -4.55 0.32 0.00 -0.40 0.00 0.00 41.96 37.33 1n4c s TYR 21 CO 0.00 -1.86 1.14 0.09 -1.57 0.00 0.00 175.55 173.35 1n4c n ASN 22 N 10.03 -2.32 0.00 2.29 3.02 -1.26 -5.06 115.26 121.96 1n4c n ASN 22 Ca 0.37 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.29 1n4c n ASN 22 Cb 0.49 1.88 0.00 0.00 -0.61 0.00 0.00 39.78 41.54 1n4c n ASN 22 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1n4c n VAL 23 N 0.30 0.00 -1.56 2.41 0.31 -1.26 -5.02 118.33 113.51 1n4c n VAL 23 Ca 0.05 0.93 0.00 0.00 -0.01 0.00 0.00 64.34 65.31 1n4c n VAL 23 Cb 0.71 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1n4c n VAL 23 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1n4c n SER 24 N -0.50 0.00 -4.78 4.52 7.64 -1.26 -5.14 113.62 114.10 1n4c n SER 24 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1n4c n SER 24 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1n4c n SER 24 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1n4c s PHE 25 N -1.91 3.11 0.00 1.43 5.36 -1.26 -5.02 117.98 119.68 1n4c s PHE 25 Ca 0.00 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 1n4c s PHE 25 Cb 0.00 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.47 1n4c s PHE 25 CO 0.00 -0.95 0.00 -1.13 -1.46 0.00 0.00 175.22 171.68 1n4c n SER 26 N -0.27 0.00 -4.55 6.13 3.41 -1.26 -4.42 113.62 112.66 1n4c n SER 26 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.36 1n4c n SER 26 Cb 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1n4c n SER 26 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1n4c s SER 27 N -1.66 4.31 0.50 4.04 1.04 -1.26 -4.92 113.70 115.74 1n4c s SER 27 Ca 0.00 0.81 -0.18 0.00 0.48 0.00 0.00 55.95 57.06 1n4c s SER 27 Cb 0.00 -2.51 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 1n4c s SER 27 CO 0.00 -3.12 0.99 0.00 0.98 0.00 0.00 173.24 172.09 1n4c s MET 28 N 8.40 3.92 0.00 4.02 0.23 -1.26 -5.05 119.30 129.56 1n4c s MET 28 Ca 0.96 1.09 0.00 0.00 -1.03 0.00 0.00 55.69 56.71 1n4c s MET 28 Cb -0.16 -2.13 0.00 0.00 -1.53 0.00 0.00 34.83 31.01 1n4c s MET 28 CO 0.21 -0.30 0.00 -0.35 -2.03 0.00 0.00 175.02 172.55 1n4c n PRO 29 N -1.30 0.00 0.00 3.16 -0.04 -1.26 -5.08 135.00 130.48 1n4c n PRO 29 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1n4c n PRO 29 Cb 0.54 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1n4c n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n4c n GLY 30 N 2.12 0.86 3.74 0.55 0.00 -1.26 -5.14 105.19 106.06 1n4c n GLY 30 Ca 0.00 0.53 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 1n4c n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n4c s GLY 31 N 0.00 2.96 0.89 -0.02 0.00 -1.26 -5.03 107.32 104.86 1n4c s GLY 31 Ca 0.00 0.69 -0.15 0.00 0.00 0.00 0.00 44.72 45.26 1n4c s GLY 31 CO 0.00 1.50 0.66 -1.06 0.00 0.00 0.00 173.10 174.20 1n4c n GLN 32 N 2.36 -3.11 -3.56 2.90 6.02 -1.26 -5.07 117.38 115.66 1n4c n GLN 32 Ca 0.02 -1.08 -0.01 0.00 -0.01 0.00 0.00 57.00 55.92 1n4c n GLN 32 Cb 0.47 -1.17 -0.04 0.00 1.02 0.00 0.00 30.24 30.52 1n4c n GLN 32 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1n4c s ASN 33 N -3.14 -0.89 0.00 1.08 3.84 -1.26 -5.13 114.94 109.44 1n4c s ASN 33 Ca 0.46 1.25 0.00 0.00 0.21 0.00 0.00 52.86 54.78 1n4c s ASN 33 Cb -0.06 1.93 0.00 0.00 -0.55 0.00 0.00 41.25 42.57 1n4c s ASN 33 CO 0.37 -0.18 0.00 -0.62 -2.79 0.00 0.00 177.10 173.88 1n4c n GLU 34 N 5.07 0.00 -1.76 0.43 1.02 -1.26 -5.11 120.64 119.03 1n4c n GLU 34 Ca -0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.00 1n4c n GLU 34 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1n4c n GLU 34 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1n4c n ARG 35 N 0.00 0.14 0.00 3.49 1.74 -1.26 -5.12 116.66 115.65 1n4c n ARG 35 Ca 0.00 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 1n4c n ARG 35 Cb 0.00 0.45 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1n4c n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n4c n GLY 36 N -0.09 -1.77 3.79 -0.13 0.00 -1.26 -5.16 105.19 100.57 1n4c n GLY 36 Ca -0.01 0.71 -0.31 0.00 0.00 0.00 0.00 46.02 46.41 1n4c n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n4c s LYS 37 N 0.00 2.63 -0.24 1.61 1.02 -1.26 -5.06 119.74 118.44 1n4c s LYS 37 Ca 0.00 1.12 -0.26 0.00 0.02 0.00 0.00 55.97 56.85 1n4c s LYS 37 Cb 0.00 -1.94 0.08 0.00 -0.52 0.00 0.00 37.83 35.44 1n4c s LYS 37 CO 0.00 -1.35 0.76 0.00 -0.92 0.00 0.00 175.35 173.84 1n4c s ALA 38 N -2.85 -1.80 0.00 5.17 0.00 -1.26 -5.14 121.76 115.87 1n4c s ALA 38 Ca 0.61 1.91 0.00 0.00 0.00 0.00 0.00 51.96 54.48 1n4c s ALA 38 Cb -0.16 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1n4c s ALA 38 CO 0.53 -0.33 0.00 0.00 0.00 0.00 0.00 175.76 175.95 1n4c n ALA 39 N 2.37 0.00 -1.43 0.00 0.00 -1.26 -5.10 120.51 115.09 1n4c n ALA 39 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1n4c n ALA 39 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1n4c n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4c n ALA 40 N -3.00 0.00 -3.84 0.00 0.00 -1.26 -5.18 120.51 107.23 1n4c n ALA 40 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1n4c n ALA 40 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1n4c n ALA 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n4c s ASN 41 N 2.00 -0.02 -0.30 0.00 2.20 -1.26 -5.16 114.94 112.40 1n4c s ASN 41 Ca 0.00 -0.86 -0.09 0.00 -0.94 0.00 0.00 52.86 50.97 1n4c s ASN 41 Cb 0.00 0.67 0.17 0.00 -2.00 0.00 0.00 41.25 40.09 1n4c s ASN 41 CO 0.00 -1.32 0.81 -0.22 -2.94 0.00 0.00 177.10 173.43 1n4c s LEU 42 N -3.20 -0.93 0.11 3.54 0.20 -1.26 -5.05 118.68 112.10 1n4c s LEU 42 Ca 0.18 0.84 -0.31 0.00 0.69 0.00 0.00 54.13 55.54 1n4c s LEU 42 Cb -0.04 1.88 -0.10 0.00 -0.43 0.00 0.00 46.19 47.51 1n4c s LEU 42 CO 0.08 -0.18 1.59 -0.08 -0.29 0.00 0.00 176.35 177.48 1n4c h GLU 43 N 7.88 -0.62 0.00 1.98 4.81 -2.07 -3.48 114.58 123.08 1n4c h GLU 43 Ca -0.18 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1n4c h GLU 43 Cb 1.14 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1n4c h GLU 43 CO 0.10 -0.41 0.00 0.41 -0.73 0.00 0.00 179.01 178.38 1n4c n GLY 44 N -1.46 -2.07 3.84 1.92 0.00 -1.26 -4.93 105.19 101.24 1n4c n GLY 44 Ca -0.07 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 1n4c n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n4c s LYS 45 N -2.33 2.95 0.40 1.61 2.20 -1.26 -5.02 119.74 118.28 1n4c s LYS 45 Ca 0.00 0.75 -0.23 0.00 -0.36 0.00 0.00 55.97 56.13 1n4c s LYS 45 Cb 0.00 -2.01 -0.10 0.00 -1.51 0.00 0.00 37.83 34.21 1n4c s LYS 45 CO 0.00 -1.04 0.97 -0.65 -0.36 0.00 0.00 175.35 174.27 1n4c s GLN 46 N -5.16 4.30 -0.30 4.03 -0.21 -1.26 -5.05 119.66 116.01 1n4c s GLN 46 Ca 0.58 1.25 -0.15 0.00 0.02 0.00 0.00 55.36 57.06 1n4c s GLN 46 Cb -0.13 -2.41 0.16 0.00 1.00 0.00 0.00 33.01 31.64 1n4c s GLN 46 CO 0.54 0.02 0.99 0.21 -2.12 0.00 0.00 175.29 174.93 1n4c s LYS 47 N -2.75 0.29 -0.08 2.91 2.20 -1.26 -5.05 119.74 116.00 1n4c s LYS 47 Ca 0.58 0.73 0.03 0.00 -0.36 0.00 0.00 55.97 56.95 1n4c s LYS 47 Cb -0.14 0.43 0.10 0.00 -1.51 0.00 0.00 37.83 36.71 1n4c s LYS 47 CO 0.19 -0.10 1.13 0.00 -0.36 0.00 0.00 175.35 176.20 1n4c n ALA 48 N 4.93 3.51 0.80 3.13 0.00 -1.26 -4.93 120.51 126.69 1n4c n ALA 48 Ca -0.09 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1n4c n ALA 48 Cb 0.53 -0.45 0.04 0.00 0.00 0.00 0.00 19.45 19.56 1n4c n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4c n ALA 49 N -0.38 2.68 -1.54 0.00 0.00 -1.26 -4.21 120.51 115.81 1n4c n ALA 49 Ca -0.25 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 1n4c n ALA 49 Cb 0.74 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 19.21 1n4c n ALA 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1n4c n ASP 50 N 0.12 7.32 -2.88 0.00 2.03 -1.26 -4.53 116.55 117.34 1n4c n ASP 50 Ca 0.04 -3.64 -0.12 0.00 0.52 0.00 0.00 54.79 51.58 1n4c n ASP 50 Cb 0.41 -1.06 0.04 0.00 -0.72 0.00 0.00 41.12 39.78 1n4c n ASP 50 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1n4c n PHE 51 N -0.35 -2.06 1.05 -0.67 3.01 -1.26 -4.93 117.46 112.24 1n4c n PHE 51 Ca 0.54 -2.56 0.11 0.00 1.01 0.00 0.00 57.45 56.55 1n4c n PHE 51 Cb 0.46 0.97 0.11 0.00 -0.01 0.00 0.00 39.48 41.01 1n4c n PHE 51 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1n4c n GLU 52 N 0.74 0.40 0.00 -1.08 4.07 -1.26 -4.08 120.64 119.43 1n4c n GLU 52 Ca 0.12 -0.29 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1n4c n GLU 52 Cb 0.66 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.54 1n4c n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1n4c n ASP 53 N -1.05 0.10 0.04 4.31 8.00 -1.26 -2.37 116.55 124.32 1n4c n ASP 53 Ca 0.07 -1.02 0.03 0.00 0.71 0.00 0.00 54.79 54.57 1n4c n ASP 53 Cb 0.36 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.34 1n4c n ASP 53 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1n4c n LEU 54 N -0.35 0.79 0.21 0.64 4.77 -1.26 -3.84 117.00 117.96 1n4c n LEU 54 Ca 0.00 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.44 1n4c n LEU 54 Cb 0.03 0.06 0.26 0.00 -2.33 0.00 0.00 43.42 41.43 1n4c n LEU 54 CO 0.00 0.08 0.84 -0.07 -1.33 0.00 0.00 177.39 176.91 1n4c h LEU 55 N 0.00 0.00 -7.90 2.23 3.38 -1.80 -3.39 115.31 107.83 1n4c h LEU 55 Ca -0.14 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 57.07 1n4c h LEU 55 Cb 1.46 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.95 1n4c h LEU 55 CO 0.03 0.00 -0.07 -0.55 0.09 0.00 0.00 178.44 177.94 1n4c s SER 56 N -5.87 6.39 -0.86 -0.43 0.15 -1.25 -4.98 113.70 106.85 1n4c s SER 56 Ca 0.07 -2.38 -0.22 0.00 0.70 0.00 0.00 55.95 54.12 1n4c s SER 56 Cb 0.07 -2.17 -0.19 0.00 -1.71 0.00 0.00 66.02 62.02 1n4c s SER 56 CO 0.64 -0.65 2.07 0.61 1.20 0.00 0.00 173.24 177.11 1n4c n GLY 57 N 4.39 -0.33 1.71 9.45 0.00 -1.26 -4.69 105.19 114.46 1n4c n GLY 57 Ca 0.03 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1n4c n GLY 57 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n4c n GLN 58 N 7.71 1.51 -2.74 1.61 6.02 -1.26 -4.09 117.38 126.14 1n4c n GLN 58 Ca 0.40 -1.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.28 1n4c n GLN 58 Cb 0.44 -1.40 0.09 0.00 1.02 0.00 0.00 30.24 30.39 1n4c n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n4c n GLY 59 N 0.64 1.11 3.57 1.08 0.00 -1.26 -5.09 105.19 105.24 1n4c n GLY 59 Ca 0.20 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1n4c n GLY 59 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n4c s PHE 60 N -0.07 1.24 0.00 1.61 5.36 -1.26 -4.50 117.98 120.36 1n4c s PHE 60 Ca 0.23 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 1n4c s PHE 60 Cb 0.35 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 1n4c s PHE 60 CO -0.06 -3.12 0.00 0.09 -1.46 0.00 0.00 175.22 170.67 1n4c n ASN 61 N 13.48 0.00 -4.54 6.13 5.03 -1.26 -5.10 115.26 129.00 1n4c n ASN 61 Ca 0.31 0.00 -0.52 0.00 0.87 0.00 0.00 54.58 55.24 1n4c n ASN 61 Cb 0.50 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.21 1n4c n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n4c n ALA 62 N -1.92 -1.77 -2.57 5.41 0.00 -1.26 -4.86 120.51 113.54 1n4c n ALA 62 Ca 0.00 0.51 -0.42 0.00 0.00 0.00 0.00 53.44 53.53 1n4c n ALA 62 Cb 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 1n4c n ALA 62 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1n4c s HIS 63 N -0.05 3.38 -0.65 0.00 -3.43 -1.26 -4.89 115.29 108.38 1n4c s HIS 63 Ca 0.80 1.42 -0.32 0.00 -0.80 0.00 0.00 55.06 56.15 1n4c s HIS 63 Cb -0.99 -3.30 -0.15 0.00 -1.43 0.00 0.00 32.58 26.71 1n4c s HIS 63 CO 0.52 -0.75 2.44 1.17 -2.00 0.00 0.00 174.74 176.13 1n4c n LYS 64 N 4.96 0.53 -3.58 -0.38 4.81 -1.26 -4.86 118.16 118.38 1n4c n LYS 64 Ca 0.10 0.07 -0.12 0.00 -0.87 0.00 0.00 58.31 57.48 1n4c n LYS 64 Cb 0.48 -2.23 -0.11 0.00 0.02 0.00 0.00 35.03 33.18 1n4c n LYS 64 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1n4c s ASP 65 N 9.06 0.37 0.00 3.14 2.15 -1.26 -5.09 116.67 125.05 1n4c s ASP 65 Ca 1.18 0.48 0.00 0.00 0.43 0.00 0.00 52.55 54.64 1n4c s ASP 65 Cb -0.91 0.86 0.00 0.00 -0.30 0.00 0.00 42.92 42.56 1n4c s ASP 65 CO 0.45 -0.26 0.00 0.29 -0.17 0.00 0.00 175.17 175.48 1n4c n LYS 66 N 5.36 0.00 -1.72 4.34 4.76 -1.26 -4.79 118.16 124.85 1n4c n LYS 66 Ca -0.06 0.00 -0.59 0.00 -2.87 0.00 0.00 58.31 54.79 1n4c n LYS 66 Cb 0.50 -0.39 -0.08 0.00 -1.84 0.00 0.00 35.03 33.22 1n4c n LYS 66 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1n4c n LYS 67 N -0.50 0.93 -1.34 1.97 2.85 -1.26 -4.84 118.16 115.97 1n4c n LYS 67 Ca 0.00 0.34 0.00 0.00 -1.05 0.00 0.00 58.31 57.60 1n4c n LYS 67 Cb 0.00 -1.99 0.00 0.00 -0.65 0.00 0.00 35.03 32.39 1n4c n LYS 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1n4c n GLY 68 N 4.13 1.21 3.20 2.58 0.00 -1.26 -5.16 105.19 109.90 1n4c n GLY 68 Ca 0.27 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1n4c n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n4c n PRO 69 N 0.00 -0.18 -3.10 1.61 -0.02 -1.26 -4.98 135.00 127.07 1n4c n PRO 69 Ca 0.00 -0.03 -0.16 0.00 -2.02 0.00 0.00 63.50 61.28 1n4c n PRO 69 Cb 0.00 -1.42 -0.01 0.00 -0.02 0.00 0.00 33.50 32.06 1n4c n PRO 69 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1n4c n ARG 70 N 0.42 0.97 -3.64 -0.52 0.63 -1.26 -5.10 116.66 108.17 1n4c n ARG 70 Ca 0.02 -3.08 -0.36 0.00 -0.92 0.00 0.00 57.85 53.50 1n4c n ARG 70 Cb 0.56 -1.56 -0.07 0.00 0.45 0.00 0.00 32.46 31.83 1n4c n ARG 70 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1n4c s THR 71 N -1.85 5.34 -1.42 5.15 -4.23 -1.26 -4.93 115.64 112.44 1n4c s THR 71 Ca 0.36 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.33 1n4c s THR 71 Cb 0.33 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 70.65 1n4c s THR 71 CO -0.08 0.46 0.88 -0.38 -0.54 0.00 0.00 174.62 174.96 1n4c n ILE 72 N 3.14 1.08 0.58 2.99 2.08 -1.26 -1.31 119.36 126.66 1n4c n ILE 72 Ca -0.14 0.27 0.12 0.00 0.56 0.00 0.00 62.75 63.56 1n4c n ILE 72 Cb 0.52 -1.23 0.28 0.00 -0.75 0.00 0.00 39.64 38.46 1n4c n ILE 72 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n4c h ALA 73 N 2.10 0.80 0.00 -1.39 0.00 -1.99 -3.29 119.26 115.49 1n4c h ALA 73 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1n4c h ALA 73 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1n4c h ALA 73 CO 0.00 0.00 -0.32 1.49 0.00 0.00 0.00 179.25 180.42 1n4c h GLU 74 N 0.00 0.00 0.00 0.00 4.22 -1.61 -2.75 114.58 114.43 1n4c h GLU 74 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1n4c h GLU 74 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1n4c h GLU 74 CO 0.00 0.32 -0.22 0.52 -2.18 0.00 0.00 179.01 177.46 1n4c h MET 75 N 0.00 0.00 0.00 1.92 2.86 -1.75 -3.33 114.93 114.63 1n4c h MET 75 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1n4c h MET 75 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1n4c h MET 75 CO 0.04 0.00 0.58 -0.09 1.06 0.00 0.00 176.91 178.50 1n4c h ARG 76 N -0.66 0.00 -0.55 1.72 2.43 -1.69 0.31 114.38 115.94 1n4c h ARG 76 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1n4c h ARG 76 Cb 0.22 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1n4c h ARG 76 CO 0.00 0.00 0.13 -0.22 -1.51 0.00 0.00 179.97 178.37 1n4c h LYS 77 N 0.00 0.84 0.00 0.20 3.64 -1.59 -2.72 116.57 116.94 1n4c h LYS 77 Ca 0.00 -0.18 -0.17 0.00 -1.27 0.00 0.00 60.65 59.03 1n4c h LYS 77 Cb 1.16 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1n4c h LYS 77 CO 0.00 0.76 -0.90 1.49 -2.27 0.00 0.00 179.45 178.53 1n4c h GLU 78 N 0.81 0.00 -0.39 1.90 4.81 -0.56 -3.35 114.58 117.80 1n4c h GLU 78 Ca 0.18 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1n4c h GLU 78 Cb 0.30 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.60 1n4c h GLU 78 CO -0.00 0.70 -0.44 0.93 -0.73 0.00 0.00 179.01 179.48 1n4c h GLU 79 N 0.00 -0.33 -0.71 1.92 4.39 -1.42 2.35 114.58 120.77 1n4c h GLU 79 Ca -0.04 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.75 1n4c h GLU 79 Cb 1.62 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.30 1n4c h GLU 79 CO 0.09 -0.22 0.47 0.52 -1.16 0.00 0.00 179.01 178.71 1n4c h MET 80 N -0.34 0.70 -0.15 2.33 2.86 -1.69 0.69 114.93 119.34 1n4c h MET 80 Ca 0.13 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1n4c h MET 80 Cb 0.59 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1n4c h MET 80 CO -0.57 0.47 0.00 0.00 1.06 0.00 0.00 176.91 177.87 1n4c n ALA 81 N -2.45 2.51 -0.21 6.32 0.00 0.77 -4.16 120.51 123.28 1n4c n ALA 81 Ca 0.10 -0.58 0.02 0.00 0.00 0.00 0.00 53.44 52.98 1n4c n ALA 81 Cb 0.24 -1.05 0.27 0.00 0.00 0.00 0.00 19.45 18.90 1n4c n ALA 81 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1n4c h LYS 82 N 2.79 0.93 -0.44 0.00 1.63 0.62 -3.41 116.57 118.70 1n4c h LYS 82 Ca 0.00 -0.06 0.11 0.00 -0.85 0.00 0.00 60.65 59.85 1n4c h LYS 82 Cb 0.61 -0.21 -0.18 0.00 -0.60 0.00 0.00 32.23 31.84 1n4c h LYS 82 CO 0.00 0.62 -0.18 -2.00 -3.45 0.00 0.00 179.45 174.44 1n4c s GLU 83 N -5.81 0.33 0.00 1.90 2.12 -1.26 -5.00 118.70 110.97 1n4c s GLU 83 Ca -0.11 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.23 1n4c s GLU 83 Cb 0.18 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.64 1n4c s GLU 83 CO 0.78 -0.51 1.49 -0.12 -0.54 0.00 0.00 175.26 176.36 1n4c n MET 84 N 4.34 0.84 -1.57 4.30 0.00 -1.26 -4.83 117.12 118.93 1n4c n MET 84 Ca 0.08 0.00 -0.44 0.00 -0.00 0.00 0.00 57.70 57.34 1n4c n MET 84 Cb 0.60 -1.08 -0.01 0.00 0.00 0.00 0.00 33.22 32.73 1n4c n MET 84 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1n4c n ASP 85 N 1.35 1.01 0.00 6.12 -0.08 -1.26 -4.74 116.55 118.94 1n4c n ASP 85 Ca 0.00 1.14 0.01 0.00 -1.51 0.00 0.00 54.79 54.43 1n4c n ASP 85 Cb 0.42 -1.27 0.08 0.00 2.34 0.00 0.00 41.12 42.70 1n4c n ASP 85 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1n4c n PRO 86 N 0.64 0.09 -0.05 -0.67 -0.04 -1.26 -1.47 135.00 132.24 1n4c n PRO 86 Ca 0.10 0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 1n4c n PRO 86 Cb 0.33 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 1n4c n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n4c n GLU 87 N -1.03 0.69 0.14 0.54 1.02 -1.26 -4.08 120.64 116.66 1n4c n GLU 87 Ca 0.02 0.20 0.01 0.00 -0.02 0.00 0.00 57.16 57.37 1n4c n GLU 87 Cb 0.01 -1.65 0.12 0.00 -0.02 0.00 0.00 31.44 29.90 1n4c n GLU 87 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1n4c h LYS 88 N 0.02 0.00 -0.88 3.49 1.57 -1.58 -3.13 116.57 116.06 1n4c h LYS 88 Ca -0.45 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.51 1n4c h LYS 88 Cb 2.04 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 34.28 1n4c h LYS 88 CO 0.03 0.59 0.58 1.25 -0.57 0.00 0.00 179.45 181.34 1n4c h LEU 89 N 0.00 0.49 -1.50 2.94 7.12 -1.63 0.30 115.31 123.02 1n4c h LEU 89 Ca -0.01 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.02 1n4c h LEU 89 Cb 1.26 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.33 1n4c h LEU 89 CO 0.08 0.22 -0.00 0.11 -0.13 0.00 0.00 178.44 178.71 1n4c h LYS 90 N 0.50 0.31 -0.12 1.25 6.56 -1.73 -2.79 116.57 120.56 1n4c h LYS 90 Ca 0.46 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.96 1n4c h LYS 90 Cb 0.99 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.59 1n4c h LYS 90 CO -0.19 0.34 -0.06 0.82 -2.06 0.00 0.00 179.45 178.31 1n4c h ILE 91 N 0.31 1.32 -1.03 1.86 2.04 -0.58 -2.57 117.51 118.86 1n4c h ILE 91 Ca 0.07 -1.08 0.30 0.00 1.00 0.00 0.00 64.86 65.15 1n4c h ILE 91 Cb 0.22 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1n4c h ILE 91 CO 0.00 0.31 0.75 -0.07 0.00 0.00 0.00 178.15 179.15 1n4c h LEU 92 N -0.11 0.00 0.00 1.44 3.38 -1.29 0.72 115.31 119.46 1n4c h LEU 92 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1n4c h LEU 92 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1n4c h LEU 92 CO 0.02 0.00 -0.97 -0.33 0.09 0.00 0.00 178.44 177.25 1n4c h GLU 93 N 0.00 0.00 -0.14 1.13 5.08 -1.46 -3.02 114.58 116.17 1n4c h GLU 93 Ca 0.49 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.66 1n4c h GLU 93 Cb 1.99 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.25 1n4c h GLU 93 CO -0.01 0.71 -0.66 2.35 -1.00 0.00 0.00 179.01 180.41 1n4c h TRP 94 N 0.00 0.94 -0.10 4.33 7.01 0.80 -2.95 115.95 125.97 1n4c h TRP 94 Ca -0.06 -0.41 -0.08 0.00 2.11 0.00 0.00 58.89 60.45 1n4c h TRP 94 Cb 1.66 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 28.57 1n4c h TRP 94 CO 0.00 1.22 -0.26 -0.84 -2.79 0.00 0.00 178.44 175.77 1n4c h ILE 95 N 0.39 1.40 0.00 2.65 3.07 -1.35 -2.97 117.51 120.70 1n4c h ILE 95 Ca -0.04 -1.59 0.00 0.00 1.55 0.00 0.00 64.86 64.78 1n4c h ILE 95 Cb 1.29 2.17 0.00 0.00 -0.27 0.00 0.00 36.82 40.01 1n4c h ILE 95 CO 0.14 0.46 0.00 -1.84 -1.05 0.00 0.00 178.15 175.86 1n4c n GLU 96 N -4.46 0.05 0.01 0.16 -0.00 -1.14 -1.50 120.64 113.76 1n4c n GLU 96 Ca -0.08 0.29 -0.18 0.00 -0.00 0.00 0.00 57.16 57.20 1n4c n GLU 96 Cb 0.46 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 30.29 1n4c n GLU 96 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1n4c h GLY 97 N 1.52 0.52 -5.00 -1.84 0.00 -1.34 -3.44 103.07 93.49 1n4c h GLY 97 Ca 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 47.33 46.29 1n4c h GLY 97 CO 0.00 0.80 -0.12 0.58 0.00 0.00 0.00 176.54 177.80 1n4c n LYS 98 N -4.16 0.39 0.00 4.80 2.85 -0.99 -4.99 118.16 116.07 1n4c n LYS 98 Ca -0.10 -1.06 0.00 0.00 -1.05 0.00 0.00 58.31 56.09 1n4c n LYS 98 Cb 0.71 -0.49 0.00 0.00 -0.65 0.00 0.00 35.03 34.60 1n4c n LYS 98 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1n4c n GLU 99 N 0.82 0.63 -0.96 -1.58 -0.00 -0.56 -2.64 120.64 116.35 1n4c n GLU 99 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.19 1n4c n GLU 99 Cb 0.72 -1.23 0.03 0.00 -0.00 0.00 0.00 31.44 30.96 1n4c n GLU 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1n4c n ARG 100 N 0.51 0.19 -3.16 3.44 0.63 -1.26 -4.71 116.66 112.29 1n4c n ARG 100 Ca 0.00 -1.74 -0.21 0.00 -0.92 0.00 0.00 57.85 54.98 1n4c n ARG 100 Cb 0.26 -0.40 -0.05 0.00 0.45 0.00 0.00 32.46 32.72 1n4c n ARG 100 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1n4c n ASN 101 N 0.08 0.19 -0.35 6.15 5.15 -1.08 -4.93 115.26 120.47 1n4c n ASN 101 Ca 0.05 -2.83 0.31 0.00 -0.60 0.00 0.00 54.58 51.51 1n4c n ASN 101 Cb 0.91 -0.48 0.57 0.00 -0.53 0.00 0.00 39.78 40.25 1n4c n ASN 101 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1n4c h ILE 102 N 1.76 0.11 -1.01 -1.44 -0.00 -1.84 0.72 117.51 115.81 1n4c h ILE 102 Ca 0.07 -0.04 0.13 0.00 -0.00 0.00 0.00 64.86 65.02 1n4c h ILE 102 Cb 0.92 -0.01 -0.09 0.00 -0.00 0.00 0.00 36.82 37.64 1n4c h ILE 102 CO 0.46 0.02 0.63 0.08 -0.00 0.00 0.00 178.15 179.34 1n4c h ARG 103 N 0.11 0.94 0.19 2.19 0.11 -1.96 -2.20 114.38 113.75 1n4c h ARG 103 Ca 0.81 -0.06 -0.27 0.00 0.10 0.00 0.00 59.98 60.57 1n4c h ARG 103 Cb 2.16 -0.21 0.03 0.00 1.11 0.00 0.00 29.97 33.05 1n4c h ARG 103 CO -0.66 0.62 -1.21 0.00 0.10 0.00 0.00 179.97 178.82 1n4c h ALA 104 N 1.55 -0.07 -0.79 0.08 0.00 0.04 -3.02 119.26 117.06 1n4c h ALA 104 Ca 0.51 -0.84 0.14 0.00 0.00 0.00 0.00 54.91 54.72 1n4c h ALA 104 Cb 0.54 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1n4c h ALA 104 CO -0.28 0.60 0.36 -0.07 0.00 0.00 0.00 179.25 179.86 1n4c h LEU 105 N -0.13 0.40 -0.48 0.00 3.38 -0.89 0.76 115.31 118.36 1n4c h LEU 105 Ca -0.22 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1n4c h LEU 105 Cb 1.90 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1n4c h LEU 105 CO 0.19 0.17 -0.19 0.17 0.09 0.00 0.00 178.44 178.87 1n4c h LEU 106 N 0.53 0.00 -2.37 1.67 8.10 -1.53 -1.93 115.31 119.78 1n4c h LEU 106 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.42 1n4c h LEU 106 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.83 1n4c h LEU 106 CO -0.37 0.19 0.00 -1.54 -4.11 0.00 0.00 178.44 172.61 1n4c n SER 107 N -3.20 3.50 0.00 0.17 3.41 0.62 -4.12 113.62 114.00 1n4c n SER 107 Ca 0.02 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1n4c n SER 107 Cb 0.53 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1n4c n SER 107 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n4c n THR 108 N 1.47 0.26 0.17 6.66 -2.24 0.23 -4.72 114.28 116.11 1n4c n THR 108 Ca 0.21 -0.30 0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1n4c n THR 108 Cb 0.59 1.02 0.25 0.00 -2.10 0.00 0.00 70.33 70.09 1n4c n THR 108 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1n4c h MET 109 N 0.00 0.00 0.00 -0.78 -1.53 -1.51 -3.13 114.93 107.98 1n4c h MET 109 Ca 0.00 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1n4c h MET 109 Cb 0.71 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.76 1n4c h MET 109 CO 0.00 0.44 -0.00 1.12 0.14 0.00 0.00 176.91 178.61 1n4c h HIS 110 N 0.00 0.00 0.00 1.39 2.07 -1.86 -0.26 115.15 116.49 1n4c h HIS 110 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1n4c h HIS 110 Cb 1.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.01 1n4c h HIS 110 CO 0.00 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.11 1n4c n THR 111 N -4.04 0.00 -2.30 6.12 -2.24 -1.18 -3.53 114.28 107.11 1n4c n THR 111 Ca -0.03 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1n4c n THR 111 Cb 0.09 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 67.98 1n4c n THR 111 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1n4c n VAL 112 N -0.73 0.00 -2.33 2.28 0.24 -0.12 -5.05 118.33 112.62 1n4c n VAL 112 Ca 0.09 -0.59 -0.25 0.00 -2.04 0.00 0.00 64.34 61.55 1n4c n VAL 112 Cb 0.04 0.79 0.09 0.00 -1.47 0.00 0.00 33.84 33.29 1n4c n VAL 112 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1n4c s LEU 113 N 0.00 2.91 0.08 1.34 1.43 -1.16 -4.96 118.68 118.32 1n4c s LEU 113 Ca 0.20 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 1n4c s LEU 113 Cb 0.23 -2.64 -0.07 0.00 0.03 0.00 0.00 46.19 43.74 1n4c s LEU 113 CO -0.10 -1.77 0.62 -1.66 0.23 0.00 0.00 176.35 173.66 1n4c s TRP 114 N -3.24 3.81 -0.19 0.29 -2.14 -1.26 -4.97 118.94 111.24 1n4c s TRP 114 Ca 0.63 1.34 -0.30 0.00 2.66 0.00 0.00 56.10 60.43 1n4c s TRP 114 Cb -0.08 -2.57 -0.07 0.00 -3.10 0.00 0.00 33.47 27.65 1n4c s TRP 114 CO 0.45 0.54 2.15 0.00 -2.66 0.00 0.00 176.95 177.43 1n4c n ALA 115 N 1.82 1.55 0.00 2.67 0.00 -1.26 -3.07 120.51 122.22 1n4c n ALA 115 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1n4c n ALA 115 Cb 0.50 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1n4c n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n4c n GLY 116 N 5.59 2.36 3.62 0.00 0.00 -1.26 -5.09 105.19 110.40 1n4c n GLY 116 Ca 0.30 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1n4c n GLY 116 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n4c s GLU 117 N 0.00 3.51 -0.03 1.61 2.56 -1.17 -4.79 118.70 120.39 1n4c s GLU 117 Ca 0.00 1.81 0.05 0.00 0.00 0.00 0.00 54.97 56.83 1n4c s GLU 117 Cb 0.00 -4.19 0.11 0.00 2.00 0.00 0.00 34.13 32.05 1n4c s GLU 117 CO 0.00 -1.65 1.08 0.25 -0.56 0.00 0.00 175.26 174.38 1n4c n THR 118 N 6.99 1.18 0.01 -1.70 -2.24 -1.26 -4.59 114.28 112.67 1n4c n THR 118 Ca 0.23 -1.21 0.02 0.00 -2.27 0.00 0.00 64.05 60.82 1n4c n THR 118 Cb 0.45 0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 1n4c n THR 118 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n4c n LYS 119 N -0.46 0.64 -1.80 -0.78 4.76 -1.26 -4.91 118.16 114.36 1n4c n LYS 119 Ca 0.05 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.15 1n4c n LYS 119 Cb 0.36 -1.70 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 1n4c n LYS 119 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1n4c s TRP 120 N -3.04 2.85 -0.60 2.13 -0.11 -1.26 -4.95 118.94 113.95 1n4c s TRP 120 Ca -0.05 0.38 -0.05 0.00 1.22 0.00 0.00 56.10 57.61 1n4c s TRP 120 Cb 0.09 -4.07 0.16 0.00 -1.50 0.00 0.00 33.47 28.15 1n4c s TRP 120 CO 0.83 -4.10 0.44 0.15 -4.62 0.00 0.00 176.95 169.65 1n4c s LYS 121 N 1.41 2.60 0.02 5.86 1.02 -1.26 -5.06 119.74 124.33 1n4c s LYS 121 Ca 0.74 -2.35 -0.34 0.00 0.02 0.00 0.00 55.97 54.05 1n4c s LYS 121 Cb -0.47 -3.81 -0.17 0.00 -0.52 0.00 0.00 37.83 32.85 1n4c s LYS 121 CO 0.32 -1.18 0.88 -2.30 -0.92 0.00 0.00 175.35 172.15 1n4c n PRO 122 N 3.84 0.00 -3.39 -1.68 -0.02 -1.26 -4.90 135.00 127.60 1n4c n PRO 122 Ca 0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.15 1n4c n PRO 122 Cb 0.40 -1.26 -0.07 0.00 -0.02 0.00 0.00 33.50 32.54 1n4c n PRO 122 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n4c s VAL 123 N -0.12 5.20 0.07 -1.45 1.01 -1.26 -5.02 120.40 118.83 1n4c s VAL 123 Ca 0.77 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 1n4c s VAL 123 Cb -1.08 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 31.48 1n4c s VAL 123 CO 0.50 0.25 1.85 -0.83 0.00 0.00 0.00 175.10 176.88 1n4c s GLY 124 N 1.04 1.42 0.65 4.51 0.00 -1.26 -4.77 107.32 108.91 1n4c s GLY 124 Ca 0.19 1.34 0.09 0.00 0.00 0.00 0.00 44.72 46.34 1n4c s GLY 124 CO 0.08 3.24 1.22 -0.33 0.00 0.00 0.00 173.10 177.31 1n4c h MET 125 N 9.43 0.00 0.00 2.90 2.86 -1.95 2.84 114.93 131.01 1n4c h MET 125 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1n4c h MET 125 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1n4c h MET 125 CO 0.94 0.00 -0.29 0.00 1.06 0.00 0.00 176.91 178.63 1n4c n ALA 126 N -1.67 2.77 -0.45 6.32 0.00 -1.26 -3.74 120.51 122.48 1n4c n ALA 126 Ca 0.02 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 1n4c n ALA 126 Cb 0.94 -1.31 0.13 0.00 0.00 0.00 0.00 19.45 19.21 1n4c n ALA 126 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n4c n ASP 127 N -1.82 3.53 -1.67 0.00 9.92 0.95 -4.07 116.55 123.39 1n4c n ASP 127 Ca 0.05 -3.03 0.03 0.00 -0.53 0.00 0.00 54.79 51.31 1n4c n ASP 127 Cb 0.38 -0.72 0.03 0.00 -0.64 0.00 0.00 41.12 40.18 1n4c n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n4c n LEU 128 N -0.52 1.17 -0.01 0.64 -0.00 -1.25 -4.77 117.00 112.26 1n4c n LEU 128 Ca 0.38 -2.23 0.15 0.00 -0.00 0.00 0.00 56.01 54.31 1n4c n LEU 128 Cb 1.25 0.05 0.81 0.00 -0.00 0.00 0.00 43.42 45.53 1n4c n LEU 128 CO 0.39 0.62 1.04 1.33 -0.00 0.00 0.00 177.39 180.77 1n4c n VAL 129 N 0.28 0.00 -4.37 1.47 0.24 -1.26 -4.77 118.33 109.92 1n4c n VAL 129 Ca 0.07 -0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.12 1n4c n VAL 129 Cb 1.08 -0.48 -0.11 0.00 -1.47 0.00 0.00 33.84 32.86 1n4c n VAL 129 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1n4c s THR 130 N -2.39 2.04 0.26 3.34 -4.23 -1.26 -4.89 115.64 108.51 1n4c s THR 130 Ca 0.34 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1n4c s THR 130 Cb 0.21 -1.95 0.10 0.00 1.34 0.00 0.00 72.50 72.19 1n4c s THR 130 CO 0.43 -0.22 1.74 1.55 -0.54 0.00 0.00 174.62 177.58 1n4c h PRO 131 N 3.25 0.71 -0.54 3.99 0.13 -1.96 -2.60 132.00 134.98 1n4c h PRO 131 Ca -0.44 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 1n4c h PRO 131 Cb 1.21 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1n4c h PRO 131 CO 0.49 0.78 0.29 1.49 -0.23 0.00 0.00 178.00 180.83 1n4c h GLU 132 N 0.66 0.76 -0.50 0.86 4.81 -1.97 0.82 114.58 120.02 1n4c h GLU 132 Ca 0.12 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1n4c h GLU 132 Cb 0.52 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1n4c h GLU 132 CO 0.03 0.59 0.31 1.96 -0.73 0.00 0.00 179.01 181.17 1n4c h GLN 133 N 0.73 0.67 0.05 1.92 4.20 -1.82 0.52 115.11 121.39 1n4c h GLN 133 Ca 0.19 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1n4c h GLN 133 Cb 0.06 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1n4c h GLN 133 CO -0.03 0.47 -0.02 0.28 -0.67 0.00 0.00 178.83 178.86 1n4c h VAL 134 N 0.69 0.08 -0.45 -0.54 2.07 -0.89 -3.08 116.25 114.12 1n4c h VAL 134 Ca 0.18 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1n4c h VAL 134 Cb -0.04 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 1n4c h VAL 134 CO -0.04 0.03 0.21 0.50 0.02 0.00 0.00 177.57 178.29 1n4c h LYS 135 N -1.02 0.41 -0.91 1.57 3.11 0.66 0.32 116.57 120.72 1n4c h LYS 135 Ca -0.01 -0.02 0.12 0.00 -2.81 0.00 0.00 60.65 57.93 1n4c h LYS 135 Cb 0.10 -0.09 -0.08 0.00 -1.00 0.00 0.00 32.23 31.15 1n4c h LYS 135 CO 0.01 0.27 0.53 -0.22 -2.81 0.00 0.00 179.45 177.24 1n4c h LYS 136 N 0.43 0.80 0.09 1.90 3.64 -0.10 -1.59 116.57 121.74 1n4c h LYS 136 Ca 0.20 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.27 1n4c h LYS 136 Cb 0.13 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1n4c h LYS 136 CO -0.16 0.53 -1.21 0.28 -2.27 0.00 0.00 179.45 176.63 1n4c h VAL 137 N 0.83 1.52 -0.86 2.00 2.07 -1.26 -3.19 116.25 117.35 1n4c h VAL 137 Ca 0.46 -3.14 0.25 0.00 0.82 0.00 0.00 66.70 65.09 1n4c h VAL 137 Cb 0.51 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 1n4c h VAL 137 CO -0.29 0.90 0.64 0.22 0.02 0.00 0.00 177.57 179.07 1n4c h TYR 138 N 0.05 0.00 -0.23 1.57 3.20 0.61 0.31 116.97 122.48 1n4c h TYR 138 Ca -0.11 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.65 1n4c h TYR 138 Cb 1.92 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.19 1n4c h TYR 138 CO 0.05 0.00 -0.28 0.00 -1.64 0.00 0.00 178.16 176.29 1n4c h ARG 139 N 0.00 0.59 0.02 1.82 3.08 -1.48 -2.82 114.38 115.59 1n4c h ARG 139 Ca 0.41 -0.33 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 1n4c h ARG 139 Cb 1.69 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.77 1n4c h ARG 139 CO -0.00 0.93 -0.61 0.87 -1.07 0.00 0.00 179.97 180.09 1n4c h LYS 140 N 0.29 0.38 -0.98 0.04 1.57 -0.79 -3.15 116.57 113.93 1n4c h LYS 140 Ca 0.03 -0.43 0.24 0.00 -1.87 0.00 0.00 60.65 58.62 1n4c h LYS 140 Cb 0.85 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.21 1n4c h LYS 140 CO 0.07 1.11 0.65 0.00 -0.57 0.00 0.00 179.45 180.71 1n4c h ALA 141 N 0.29 2.33 0.00 3.86 0.00 -0.62 1.33 119.26 126.45 1n4c h ALA 141 Ca -0.08 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1n4c h ALA 141 Cb 1.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1n4c h ALA 141 CO 0.12 -0.67 -0.36 0.28 0.00 0.00 0.00 179.25 178.62 1n4c h VAL 142 N 0.34 1.09 -0.13 0.00 2.07 -1.46 -2.64 116.25 115.51 1n4c h VAL 142 Ca 0.52 -1.31 -0.11 0.00 0.82 0.00 0.00 66.70 66.62 1n4c h VAL 142 Cb 1.42 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1n4c h VAL 142 CO -0.20 0.35 -0.42 0.17 0.02 0.00 0.00 177.57 177.50 1n4c h LEU 143 N 0.00 0.32 -2.56 2.57 8.10 0.18 -2.41 115.31 121.50 1n4c h LEU 143 Ca -0.00 -0.14 -0.00 0.00 0.11 0.00 0.00 57.88 57.84 1n4c h LEU 143 Cb 0.71 -0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 40.84 1n4c h LEU 143 CO 0.05 0.71 -0.02 0.58 -4.11 0.00 0.00 178.44 175.65 1n4c h VAL 144 N 0.25 0.31 0.00 0.15 2.07 -1.08 -2.53 116.25 115.43 1n4c h VAL 144 Ca 0.02 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1n4c h VAL 144 Cb 0.85 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1n4c h VAL 144 CO 0.07 0.02 -0.27 1.33 0.02 0.00 0.00 177.57 178.74 1n4c n VAL 145 N -3.50 1.67 -1.73 2.57 0.24 -1.04 -5.00 118.33 111.53 1n4c n VAL 145 Ca -0.03 -2.25 -0.42 0.00 -2.04 0.00 0.00 64.34 59.61 1n4c n VAL 145 Cb 0.11 -0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.36 1n4c n VAL 145 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1n4c s HIS 146 N -2.51 2.25 0.27 6.34 5.04 -0.94 -4.82 115.29 120.92 1n4c s HIS 146 Ca 0.31 0.04 0.05 0.00 -1.54 0.00 0.00 55.06 53.92 1n4c s HIS 146 Cb 0.28 -4.16 0.75 0.00 0.04 0.00 0.00 32.58 29.50 1n4c s HIS 146 CO -0.02 -4.74 1.31 -2.30 -2.34 0.00 0.00 174.74 166.66 1n4c n PRO 147 N 5.49 -0.06 -0.32 2.88 -0.02 -1.26 -0.32 135.00 141.39 1n4c n PRO 147 Ca 0.17 1.22 0.20 0.00 -2.02 0.00 0.00 63.50 63.08 1n4c n PRO 147 Cb 0.38 -2.00 0.40 0.00 -0.02 0.00 0.00 33.50 32.25 1n4c n PRO 147 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1n4c h ASP 148 N 0.00 0.14 0.04 2.55 3.58 -1.98 1.22 116.42 121.97 1n4c h ASP 148 Ca 0.55 0.22 0.00 0.00 0.42 0.00 0.00 57.03 58.22 1n4c h ASP 148 Cb 1.24 0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.55 1n4c h ASP 148 CO -0.75 -0.23 -0.03 0.29 -2.88 0.00 0.00 179.24 175.64 1n4c n LYS 149 N -5.22 1.42 -1.29 0.28 5.02 0.57 -3.78 118.16 115.16 1n4c n LYS 149 Ca 0.28 -0.72 -0.03 0.00 -2.02 0.00 0.00 58.31 55.81 1n4c n LYS 149 Cb 0.89 -1.48 0.12 0.00 -0.02 0.00 0.00 35.03 34.53 1n4c n LYS 149 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n4c n ALA 150 N -0.16 3.77 -2.55 7.82 0.00 0.41 -4.84 120.51 124.95 1n4c n ALA 150 Ca 0.19 -3.26 -0.42 0.00 0.00 0.00 0.00 53.44 49.94 1n4c n ALA 150 Cb 0.31 -0.44 -0.07 0.00 0.00 0.00 0.00 19.45 19.26 1n4c n ALA 150 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1n4c s THR 151 N -3.20 4.87 -0.50 0.00 2.01 -0.50 -4.11 115.64 114.22 1n4c s THR 151 Ca 0.40 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1n4c s THR 151 Cb 0.38 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1n4c s THR 151 CO -0.05 -0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.09 1n4c n GLY 152 N 4.78 0.44 3.75 4.40 0.00 -1.26 -4.91 105.19 112.40 1n4c n GLY 152 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1n4c n GLY 152 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n4c s GLN 153 N -2.07 4.54 0.39 1.61 -1.52 -1.26 -4.91 119.66 116.44 1n4c s GLN 153 Ca 0.00 1.13 0.32 0.00 -1.95 0.00 0.00 55.36 54.86 1n4c s GLN 153 Cb 0.00 -3.34 1.27 0.00 -0.22 0.00 0.00 33.01 30.72 1n4c s GLN 153 CO 0.00 0.35 1.24 -2.30 -0.25 0.00 0.00 175.29 174.33 1n4c n PRO 154 N 2.50 -0.02 -1.11 2.91 -0.02 -1.26 0.25 135.00 138.25 1n4c n PRO 154 Ca -0.03 0.94 -0.24 0.00 -2.02 0.00 0.00 63.50 62.15 1n4c n PRO 154 Cb 0.50 -1.97 0.11 0.00 -0.02 0.00 0.00 33.50 32.12 1n4c n PRO 154 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1n4c n TYR 155 N -3.95 2.66 0.38 6.00 4.11 -1.26 -4.60 117.16 120.49 1n4c n TYR 155 Ca 0.34 -2.13 -0.15 0.00 -0.00 0.00 0.00 57.90 55.95 1n4c n TYR 155 Cb 1.40 -1.05 -0.07 0.00 -0.00 0.00 0.00 39.34 39.62 1n4c n TYR 155 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1n4c h GLU 156 N 1.30 -0.97 -0.96 -3.48 4.22 0.31 -3.00 114.58 112.00 1n4c h GLU 156 Ca 0.53 0.07 0.20 0.00 0.08 0.00 0.00 59.36 60.23 1n4c h GLU 156 Cb 1.79 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 31.17 1n4c h GLU 156 CO 1.12 -0.65 0.61 1.96 -2.18 0.00 0.00 179.01 179.88 1n4c h GLN 157 N -1.24 0.57 -1.01 1.92 4.20 -1.82 0.16 115.11 117.89 1n4c h GLN 157 Ca -0.10 -0.03 0.24 0.00 0.06 0.00 0.00 58.65 58.81 1n4c h GLN 157 Cb 0.77 -0.13 -0.12 0.00 0.30 0.00 0.00 27.48 28.31 1n4c h GLN 157 CO 0.17 0.38 0.61 1.88 -0.67 0.00 0.00 178.83 181.19 1n4c h TYR 158 N 0.58 0.98 0.07 2.96 -1.99 -1.85 0.19 116.97 117.91 1n4c h TYR 158 Ca 0.52 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.28 1n4c h TYR 158 Cb 1.05 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 39.50 1n4c h TYR 158 CO -0.00 0.09 -0.04 0.00 -0.00 0.00 0.00 178.16 178.21 1n4c h ALA 159 N 1.70 -0.10 -0.54 3.88 0.00 -0.68 -1.45 119.26 122.08 1n4c h ALA 159 Ca 0.63 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1n4c h ALA 159 Cb 1.21 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1n4c h ALA 159 CO -0.43 -0.26 0.36 -0.22 0.00 0.00 0.00 179.25 178.70 1n4c h LYS 160 N -0.70 0.48 -0.01 0.00 3.64 -1.09 2.32 116.57 121.21 1n4c h LYS 160 Ca -0.01 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1n4c h LYS 160 Cb 0.57 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1n4c h LYS 160 CO 0.02 0.32 -0.18 0.52 -2.27 0.00 0.00 179.45 177.86 1n4c h MET 161 N 0.50 0.14 0.00 1.90 2.86 -0.68 -3.20 114.93 116.45 1n4c h MET 161 Ca 0.23 -0.13 -0.21 0.00 -2.06 0.00 0.00 59.70 57.53 1n4c h MET 161 Cb 0.29 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1n4c h MET 161 CO -0.06 0.85 -1.10 0.82 1.06 0.00 0.00 176.91 178.48 1n4c h ILE 162 N -0.52 1.43 -0.22 -1.22 2.04 -0.84 -3.28 117.51 114.91 1n4c h ILE 162 Ca -0.02 -3.13 -0.00 0.00 1.00 0.00 0.00 64.86 62.71 1n4c h ILE 162 Cb 0.90 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 1n4c h ILE 162 CO 0.04 0.82 0.13 0.15 0.00 0.00 0.00 178.15 179.28 1n4c h PHE 163 N 0.00 0.30 0.00 1.37 3.04 0.38 -1.72 116.94 120.31 1n4c h PHE 163 Ca -0.07 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.88 1n4c h PHE 163 Cb 1.77 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 40.19 1n4c h PHE 163 CO 0.00 0.24 0.00 0.52 -2.02 0.00 0.00 178.31 177.05 1n4c h MET 164 N 0.27 0.00 0.00 1.11 2.86 -1.68 -2.64 114.93 114.85 1n4c h MET 164 Ca 0.08 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 1n4c h MET 164 Cb 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1n4c h MET 164 CO -0.01 0.00 -0.77 0.93 1.06 0.00 0.00 176.91 178.11 1n4c h GLU 165 N 0.00 0.00 0.15 1.72 4.39 -1.38 -0.72 114.58 118.74 1n4c h GLU 165 Ca 0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 1n4c h GLU 165 Cb 0.43 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1n4c h GLU 165 CO 0.00 0.77 -1.27 -0.07 -1.16 0.00 0.00 179.01 177.28 1n4c h LEU 166 N 0.00 0.86 0.00 1.33 -0.00 -1.12 -3.24 115.31 113.14 1n4c h LEU 166 Ca -0.01 -0.85 0.00 0.00 -0.00 0.00 0.00 57.88 57.03 1n4c h LEU 166 Cb 1.43 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1n4c h LEU 166 CO 0.10 1.63 -0.40 -3.20 -0.00 0.00 0.00 178.44 176.56 1n4c n ASN 167 N -3.80 0.59 -0.05 -0.43 2.85 -1.16 -3.15 115.26 110.12 1n4c n ASN 167 Ca -0.14 0.18 -0.01 0.00 -0.11 0.00 0.00 54.58 54.50 1n4c n ASN 167 Cb 1.00 -0.08 -0.00 0.00 1.24 0.00 0.00 39.78 41.93 1n4c n ASN 167 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1n4c h ASP 168 N 0.00 -0.01 0.26 1.20 3.58 -1.20 -3.29 116.42 116.97 1n4c h ASP 168 Ca 0.00 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 1n4c h ASP 168 Cb 0.66 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1n4c h ASP 168 CO 0.00 0.51 -0.18 0.00 -2.88 0.00 0.00 179.24 176.68 1n4c h ALA 169 N -0.97 1.51 -0.80 -0.78 0.00 -1.74 -2.55 119.26 113.94 1n4c h ALA 169 Ca -0.00 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1n4c h ALA 169 Cb 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1n4c h ALA 169 CO 0.00 0.23 0.43 2.35 0.00 0.00 0.00 179.25 182.26 1n4c h TRP 170 N 0.00 0.78 -0.20 0.00 2.91 -1.65 1.09 115.95 118.86 1n4c h TRP 170 Ca -0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 1n4c h TRP 170 Cb 0.36 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 1n4c h TRP 170 CO 0.00 0.28 0.03 1.03 -1.03 0.00 0.00 178.44 178.75 1n4c h SER 171 N 0.70 0.26 0.47 2.65 0.87 -1.52 -1.42 113.55 115.56 1n4c h SER 171 Ca 0.40 -0.03 -0.30 0.00 -1.23 0.00 0.00 61.79 60.63 1n4c h SER 171 Cb 0.44 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1n4c h SER 171 CO -0.28 0.29 -1.40 -0.08 -0.53 0.00 0.00 176.83 174.83 1n4c h GLU 172 N 0.29 0.35 -0.87 2.24 4.81 -0.43 -2.30 114.58 118.67 1n4c h GLU 172 Ca 0.07 -0.60 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1n4c h GLU 172 Cb 0.15 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1n4c h GLU 172 CO -0.00 1.27 0.54 0.35 -0.73 0.00 0.00 179.01 180.43 1n4c h PHE 173 N 0.10 1.13 -0.03 0.92 3.57 0.16 2.37 116.94 125.16 1n4c h PHE 173 Ca -0.20 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.16 1n4c h PHE 173 Cb 2.05 -0.37 0.01 0.00 2.79 0.00 0.00 35.95 40.42 1n4c h PHE 173 CO 0.08 0.74 -0.55 0.93 -2.23 0.00 0.00 178.31 177.28 1n4c h GLU 174 N 1.19 0.42 0.06 1.11 5.08 -1.34 -2.64 114.58 118.47 1n4c h GLU 174 Ca 0.31 -0.42 -0.21 0.00 -1.00 0.00 0.00 59.36 58.05 1n4c h GLU 174 Cb -0.07 0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.31 1n4c h GLU 174 CO -0.06 1.08 -0.85 -0.97 -1.00 0.00 0.00 179.01 177.21 1n4c h ASN 175 N -0.07 0.65 0.16 1.42 -0.73 -1.09 -0.41 115.58 115.52 1n4c h ASN 175 Ca -0.06 -0.81 -0.02 0.00 1.87 0.00 0.00 56.30 57.28 1n4c h ASN 175 Cb 1.25 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 39.63 1n4c h ASN 175 CO 0.11 1.39 -0.08 -0.61 -0.37 0.00 0.00 177.43 177.86 1n4c h GLN 176 N -0.01 0.00 -0.98 6.67 -0.00 0.39 -3.37 115.11 117.82 1n4c h GLN 176 Ca -0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.39 1n4c h GLN 176 Cb 1.57 0.00 -0.16 0.00 0.00 0.00 0.00 27.48 28.88 1n4c h GLN 176 CO 0.16 0.08 -0.47 0.20 0.00 0.00 0.00 178.83 178.80 1n4c s GLY 177 N -4.15 -1.28 -0.13 2.39 0.00 -0.99 -5.01 107.32 98.15 1n4c s GLY 177 Ca -0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 1n4c s GLY 177 CO 0.61 3.68 3.05 -0.18 0.00 0.00 0.00 173.10 180.26 1n4c n GLN 178 N 3.10 1.93 -3.71 2.90 0.00 -0.17 -4.59 117.38 116.85 1n4c n GLN 178 Ca 0.17 -1.22 -0.01 0.00 -0.00 0.00 0.00 57.00 55.94 1n4c n GLN 178 Cb 0.56 -1.85 -0.01 0.00 0.00 0.00 0.00 30.24 28.94 1n4c n GLN 178 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1n4c s LYS 179 N -0.03 0.82 -0.34 3.69 1.02 -1.26 -5.10 119.74 118.55 1n4c s LYS 179 Ca 0.52 -0.47 -0.34 0.00 0.02 0.00 0.00 55.97 55.71 1n4c s LYS 179 Cb 0.28 0.27 -0.10 0.00 -0.52 0.00 0.00 37.83 37.76 1n4c s LYS 179 CO -0.05 -0.38 2.21 -2.30 -0.92 0.00 0.00 175.35 173.91 1n4c n PRO 180 N -0.51 1.20 -3.12 -1.68 -0.02 -1.26 -4.88 135.00 124.72 1n4c n PRO 180 Ca -0.07 0.32 -0.36 0.00 -2.02 0.00 0.00 63.50 61.37 1n4c n PRO 180 Cb 0.61 -2.60 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1n4c n PRO 180 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1n4c n LEU 181 N 10.32 5.49 0.00 2.45 7.94 -1.26 -5.18 117.00 136.76 1n4c n LEU 181 Ca 0.40 -5.34 0.00 0.00 -1.11 0.00 0.00 56.01 49.96 1n4c n LEU 181 Cb 0.27 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.20 1n4c n LEU 181 CO 0.75 1.88 0.00 0.00 -1.11 0.00 0.00 177.39 178.91