#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 -3.48 1.61 -0.04 -1.26 -4.77 135.00 127.82 1n4c n PRO 2 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1n4c n PRO 2 Cb 0.00 -1.12 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 1n4c n PRO 2 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1n4c s LEU 3 N 0.00 -0.49 -0.30 1.53 0.05 -1.26 -5.17 118.68 113.05 1n4c s LEU 3 Ca 0.00 -0.06 -0.15 0.00 0.05 0.00 0.00 54.13 53.96 1n4c s LEU 3 Cb 0.00 2.46 0.16 0.00 -2.05 0.00 0.00 46.19 46.76 1n4c s LEU 3 CO 0.00 -0.92 0.99 -0.83 -0.55 0.00 0.00 176.35 175.05 1n4c s GLY 4 N -2.71 -0.08 -0.45 -3.48 0.00 -1.26 -5.08 107.32 94.26 1n4c s GLY 4 Ca 0.03 3.12 0.06 0.00 0.00 0.00 0.00 44.72 47.92 1n4c s GLY 4 CO -0.10 2.97 1.14 -1.26 0.00 0.00 0.00 173.10 175.85 1n4c n SER 5 N 4.40 -2.26 -4.70 1.64 2.88 -1.26 -5.13 113.62 109.20 1n4c n SER 5 Ca -0.13 -3.52 -0.42 0.00 -1.33 0.00 0.00 58.87 53.47 1n4c n SER 5 Cb 0.55 1.86 -0.03 0.00 -0.75 0.00 0.00 64.21 65.84 1n4c n SER 5 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n4c s PRO 6 N 0.26 4.41 0.00 -1.46 0.04 -1.26 -5.04 135.00 131.94 1n4c s PRO 6 Ca 0.22 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1n4c s PRO 6 Cb 0.29 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1n4c s PRO 6 CO -0.07 -0.33 0.00 -0.85 0.04 0.00 0.00 177.00 175.79 1n4c n GLU 7 N 4.59 1.84 0.00 4.56 0.28 -1.26 -4.76 120.64 125.89 1n4c n GLU 7 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1n4c n GLU 7 Cb 0.47 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.34 1n4c n GLU 7 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1n4c n PHE 8 N -0.13 0.00 -2.46 -1.84 -1.74 -1.26 -4.58 117.46 105.45 1n4c n PHE 8 Ca 0.00 0.00 -0.39 0.00 -0.56 0.00 0.00 57.45 56.50 1n4c n PHE 8 Cb 0.00 -0.03 -0.02 0.00 1.52 0.00 0.00 39.48 40.94 1n4c n PHE 8 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1n4c s SER 9 N -0.88 6.33 -0.46 5.98 0.15 -1.26 -4.71 113.70 118.84 1n4c s SER 9 Ca 0.00 -1.77 0.07 0.00 0.70 0.00 0.00 55.95 54.95 1n4c s SER 9 Cb 0.00 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 61.97 1n4c s SER 9 CO 0.00 -1.68 0.76 0.23 1.20 0.00 0.00 173.24 173.74 1n4c n MET 10 N 8.64 0.73 -1.57 5.44 2.81 -1.26 -5.08 117.12 126.83 1n4c n MET 10 Ca 0.41 -2.24 -0.54 0.00 -1.81 0.00 0.00 57.70 53.52 1n4c n MET 10 Cb 0.48 -1.39 -0.07 0.00 -0.71 0.00 0.00 33.22 31.53 1n4c n MET 10 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1n4c n PRO 11 N 1.66 0.85 -0.38 0.03 -0.02 -1.26 -4.75 135.00 131.12 1n4c n PRO 11 Ca 0.14 0.31 -0.03 0.00 -2.02 0.00 0.00 63.50 61.89 1n4c n PRO 11 Cb 0.59 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 1n4c n PRO 11 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1n4c n HIS 12 N 2.34 0.00 0.06 6.00 1.44 -1.26 -4.28 115.22 119.52 1n4c n HIS 12 Ca 0.19 -0.65 -0.13 0.00 -2.01 0.00 0.00 57.72 55.13 1n4c n HIS 12 Cb 0.16 -0.68 -0.09 0.00 0.12 0.00 0.00 29.99 29.50 1n4c n HIS 12 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1n4c h SER 13 N 3.34 -0.14 0.00 4.39 0.87 -2.06 -3.43 113.55 116.53 1n4c h SER 13 Ca 0.05 -0.28 -0.13 0.00 -1.23 0.00 0.00 61.79 60.20 1n4c h SER 13 Cb 0.65 0.04 -0.13 0.00 -0.44 0.00 0.00 62.40 62.51 1n4c h SER 13 CO 0.16 0.21 -0.23 -1.54 -0.53 0.00 0.00 176.83 174.91 1n4c n SER 14 N -5.01 -1.97 -4.26 6.23 3.41 -1.26 -5.15 113.62 105.60 1n4c n SER 14 Ca -0.09 -2.45 -0.36 0.00 -0.26 0.00 0.00 58.87 55.72 1n4c n SER 14 Cb 0.22 1.21 0.06 0.00 -0.26 0.00 0.00 64.21 65.44 1n4c n SER 14 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1n4c n PRO 15 N 1.52 0.00 -2.52 4.33 -0.02 -1.26 -4.92 135.00 132.13 1n4c n PRO 15 Ca 0.04 0.03 -0.34 0.00 -2.02 0.00 0.00 63.50 61.21 1n4c n PRO 15 Cb 0.68 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.69 1n4c n PRO 15 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1n4c s GLN 16 N -2.48 3.78 -0.30 -0.52 -0.21 -1.26 -5.03 119.66 113.64 1n4c s GLN 16 Ca 0.53 1.36 -0.07 0.00 0.02 0.00 0.00 55.36 57.20 1n4c s GLN 16 Cb -0.28 -2.09 0.19 0.00 1.00 0.00 0.00 33.01 31.83 1n4c s GLN 16 CO 0.70 -0.45 0.91 0.54 -2.12 0.00 0.00 175.29 174.87 1n4c s ASN 17 N -2.02 -0.77 0.63 5.90 4.22 -1.26 -5.15 114.94 116.49 1n4c s ASN 17 Ca 0.67 0.22 -0.18 0.00 -2.14 0.00 0.00 52.86 51.44 1n4c s ASN 17 Cb -0.16 1.54 -0.03 0.00 1.28 0.00 0.00 41.25 43.88 1n4c s ASN 17 CO 0.21 -0.14 1.04 0.54 -2.04 0.00 0.00 177.10 176.70 1n4c n ARG 18 N 5.30 0.90 -1.24 3.55 1.74 -1.26 -4.57 116.66 121.08 1n4c n ARG 18 Ca 0.03 0.35 -0.17 0.00 -0.77 0.00 0.00 57.85 57.30 1n4c n ARG 18 Cb 0.55 -2.26 -0.18 0.00 -1.02 0.00 0.00 32.46 29.56 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 -1.32 0.00 0.21 5.56 -0.02 -1.26 -4.68 135.00 133.50 1n4c n PRO 19 Ca 0.14 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.74 1n4c n PRO 19 Cb 0.48 -0.86 0.18 0.00 -0.02 0.00 0.00 33.50 33.28 1n4c n PRO 19 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1n4c h ASN 20 N 9.26 0.00 -0.36 2.55 -0.00 -2.04 -3.47 115.58 121.52 1n4c h ASN 20 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 1n4c h ASN 20 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.28 1n4c h ASN 20 CO 1.34 0.06 0.00 0.00 -0.00 0.00 0.00 177.43 178.83 1n4c n TYR 21 N -3.12 -0.36 -3.63 0.67 0.18 -1.26 -5.17 117.16 104.47 1n4c n TYR 21 Ca 0.04 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.79 1n4c n TYR 21 Cb 0.54 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.46 1n4c n TYR 21 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 1n4c s ASN 22 N 0.87 -1.05 0.95 9.48 3.84 -1.26 -5.15 114.94 122.62 1n4c s ASN 22 Ca 0.00 1.50 -0.14 0.00 0.21 0.00 0.00 52.86 54.44 1n4c s ASN 22 Cb 0.00 2.00 -0.00 0.00 -0.55 0.00 0.00 41.25 42.70 1n4c s ASN 22 CO 0.00 -0.22 0.17 0.52 -2.79 0.00 0.00 177.10 174.79 1n4c n VAL 23 N 5.08 0.08 -3.16 -5.21 0.31 -1.26 -5.00 118.33 109.18 1n4c n VAL 23 Ca -0.14 -0.26 0.03 0.00 -0.01 0.00 0.00 64.34 63.96 1n4c n VAL 23 Cb 0.52 -0.50 -0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1n4c n VAL 23 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1n4c s SER 24 N -1.79 -1.54 0.00 4.52 0.15 -1.26 -5.15 113.70 108.63 1n4c s SER 24 Ca 0.54 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1n4c s SER 24 Cb -0.21 1.96 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1n4c s SER 24 CO 0.70 -0.26 0.00 0.49 1.20 0.00 0.00 173.24 175.37 1n4c n PHE 25 N 5.19 0.00 -3.82 3.44 3.01 -1.26 -5.08 117.46 118.94 1n4c n PHE 25 Ca 0.06 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.45 1n4c n PHE 25 Cb 0.55 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.04 1n4c n PHE 25 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1n4c s SER 26 N -1.86 0.02 0.00 4.37 1.04 -1.26 -5.06 113.70 110.94 1n4c s SER 26 Ca 0.00 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1n4c s SER 26 Cb 0.00 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1n4c s SER 26 CO 0.00 -1.56 0.00 -1.20 0.98 0.00 0.00 173.24 171.46 1n4c n SER 27 N -1.42 0.00 -2.70 7.02 7.64 -1.26 -5.01 113.62 117.90 1n4c n SER 27 Ca -0.07 -0.77 -0.06 0.00 1.01 0.00 0.00 58.87 58.97 1n4c n SER 27 Cb 0.60 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.90 1n4c n SER 27 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1n4c n MET 28 N 0.00 0.63 0.14 1.43 1.56 -1.26 -5.00 117.12 114.62 1n4c n MET 28 Ca 0.00 -1.38 0.01 0.00 -0.27 0.00 0.00 57.70 56.06 1n4c n MET 28 Cb 0.25 -0.65 0.14 0.00 2.15 0.00 0.00 33.22 35.12 1n4c n MET 28 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 1n4c h PRO 29 N 2.65 0.00 0.00 2.12 0.13 -2.01 -3.48 132.00 131.42 1n4c h PRO 29 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1n4c h PRO 29 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1n4c h PRO 29 CO 0.07 0.57 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 1n4c n GLY 30 N 0.69 2.57 0.00 1.56 0.00 -1.26 -4.28 105.19 104.47 1n4c n GLY 30 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1n4c n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4c n GLY 31 N 0.00 0.15 3.56 -0.02 0.00 -1.26 -5.13 105.19 102.48 1n4c n GLY 31 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1n4c n GLY 31 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n4c s GLN 32 N 0.00 0.91 -0.71 1.61 0.00 -1.26 -5.09 119.66 115.11 1n4c s GLN 32 Ca 0.00 0.38 -0.27 0.00 -0.00 0.00 0.00 55.36 55.48 1n4c s GLN 32 Cb 0.00 0.43 0.01 0.00 0.00 0.00 0.00 33.01 33.45 1n4c s GLN 32 CO 0.00 -0.25 1.51 -0.80 0.00 0.00 0.00 175.29 175.75 1n4c s ASN 33 N -0.83 5.83 -0.40 12.60 0.02 -1.26 -4.72 114.94 126.18 1n4c s ASN 33 Ca -0.07 -0.21 0.05 0.00 -1.02 0.00 0.00 52.86 51.61 1n4c s ASN 33 Cb -0.01 -2.55 0.31 0.00 0.02 0.00 0.00 41.25 39.02 1n4c s ASN 33 CO 0.06 -2.04 1.22 1.21 0.02 0.00 0.00 177.10 177.57 1n4c n GLU 34 N 9.28 0.57 -3.29 -0.60 2.13 -1.26 -5.11 120.64 122.37 1n4c n GLU 34 Ca 0.11 -1.32 -0.07 0.00 0.66 0.00 0.00 57.16 56.55 1n4c n GLU 34 Cb 0.50 -0.65 -0.06 0.00 0.27 0.00 0.00 31.44 31.50 1n4c n GLU 34 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1n4c s ARG 35 N 0.21 0.42 0.00 5.31 0.52 -1.26 -5.14 118.95 119.00 1n4c s ARG 35 Ca 0.23 0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 1n4c s ARG 35 Cb 0.28 -0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.51 1n4c s ARG 35 CO -0.13 -0.88 0.00 0.41 0.02 0.00 0.00 175.30 174.71 1n4c n GLY 36 N 5.37 1.70 3.56 -3.53 0.00 -1.26 -5.08 105.19 105.95 1n4c n GLY 36 Ca -0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.00 3.16 0.75 1.61 1.02 -1.26 -4.99 119.74 118.03 1n4c s LYS 37 Ca 0.00 0.01 -0.12 0.00 0.02 0.00 0.00 55.97 55.88 1n4c s LYS 37 Cb 0.00 -4.18 0.05 0.00 -0.52 0.00 0.00 37.83 33.17 1n4c s LYS 37 CO 0.00 -2.16 1.10 0.00 -0.92 0.00 0.00 175.35 173.38 1n4c s ALA 38 N 6.15 2.25 -0.29 5.17 0.00 -1.26 -5.04 121.76 128.74 1n4c s ALA 38 Ca 0.42 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.78 1n4c s ALA 38 Cb -0.09 -3.31 0.19 0.00 0.00 0.00 0.00 23.12 19.92 1n4c s ALA 38 CO 0.18 -1.71 0.65 0.00 0.00 0.00 0.00 175.76 174.88 1n4c s ALA 39 N -2.70 -2.53 0.00 0.00 0.00 -1.26 -5.15 121.76 110.13 1n4c s ALA 39 Ca 0.64 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1n4c s ALA 39 Cb -0.19 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1n4c s ALA 39 CO 0.52 -1.64 0.00 0.00 0.00 0.00 0.00 175.76 174.64 1n4c n ALA 40 N 5.40 0.00 -3.62 0.00 0.00 -1.26 -5.08 120.51 115.96 1n4c n ALA 40 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1n4c n ALA 40 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 1n4c n ALA 40 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1n4c s ASN 41 N -1.58 -0.70 -0.67 0.00 3.84 -1.26 -5.07 114.94 109.48 1n4c s ASN 41 Ca 0.00 1.28 -0.25 0.00 0.21 0.00 0.00 52.86 54.09 1n4c s ASN 41 Cb 0.00 1.27 -0.12 0.00 -0.55 0.00 0.00 41.25 41.85 1n4c s ASN 41 CO 0.00 -0.29 2.42 -0.11 -2.79 0.00 0.00 177.10 176.33 1n4c n LEU 42 N 2.38 1.79 0.00 3.21 7.94 -1.26 -3.71 117.00 127.35 1n4c n LEU 42 Ca -0.14 -0.91 0.00 0.00 -1.11 0.00 0.00 56.01 53.85 1n4c n LEU 42 Cb 0.55 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1n4c n LEU 42 CO 0.06 -1.99 0.00 1.21 -1.11 0.00 0.00 177.39 175.56 1n4c n GLU 43 N 8.72 0.00 -3.55 1.96 2.13 -1.26 -5.12 120.64 123.51 1n4c n GLU 43 Ca 0.45 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.26 1n4c n GLU 43 Cb 0.45 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.10 1n4c n GLU 43 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1n4c s GLY 44 N -0.35 -0.04 -0.30 8.31 0.00 -1.24 -5.16 107.32 108.54 1n4c s GLY 44 Ca 0.00 3.14 -0.12 0.00 0.00 0.00 0.00 44.72 47.74 1n4c s GLY 44 CO 0.00 2.85 0.72 1.25 0.00 0.00 0.00 173.10 177.91 1n4c s LYS 45 N 1.74 0.55 -0.34 2.90 2.20 -1.26 -4.86 119.74 120.68 1n4c s LYS 45 Ca -0.07 1.29 0.12 0.00 -0.36 0.00 0.00 55.97 56.95 1n4c s LYS 45 Cb -0.04 0.66 0.39 0.00 -1.51 0.00 0.00 37.83 37.33 1n4c s LYS 45 CO -0.16 -0.17 1.46 0.00 -0.36 0.00 0.00 175.35 176.12 1n4c n GLN 46 N 5.13 1.27 -3.64 4.03 10.64 -1.26 -5.12 117.38 128.43 1n4c n GLN 46 Ca -0.13 -1.28 -0.08 0.00 -1.83 0.00 0.00 57.00 53.68 1n4c n GLN 46 Cb 0.51 0.31 -0.07 0.00 -0.86 0.00 0.00 30.24 30.14 1n4c n GLN 46 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1n4c s LYS 47 N 0.14 0.70 0.00 2.61 -2.85 -1.26 -5.03 119.74 114.06 1n4c s LYS 47 Ca 0.11 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.19 1n4c s LYS 47 Cb 0.42 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 36.39 1n4c s LYS 47 CO -0.12 -0.13 0.12 0.00 0.10 0.00 0.00 175.35 175.32 1n4c n ALA 48 N 3.82 0.89 -1.52 0.59 0.00 -1.26 -5.07 120.51 117.96 1n4c n ALA 48 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 1n4c n ALA 48 Cb 0.58 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 0.64 -1.35 0.00 0.00 -1.26 -4.71 120.51 113.83 1n4c n ALA 49 Ca 0.00 -0.80 -0.54 0.00 0.00 0.00 0.00 53.44 52.10 1n4c n ALA 49 Cb 0.33 -2.71 -0.10 0.00 0.00 0.00 0.00 19.45 16.97 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 11.91 1.36 -3.47 0.00 2.03 -1.26 -4.68 116.55 122.44 1n4c n ASP 50 Ca 0.57 0.51 -0.40 0.00 0.52 0.00 0.00 54.79 55.99 1n4c n ASP 50 Cb 0.25 -1.07 -0.09 0.00 -0.72 0.00 0.00 41.12 39.49 1n4c n ASP 50 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1n4c n PHE 51 N 8.84 0.51 0.00 -0.67 -0.00 -1.26 -2.62 117.46 122.27 1n4c n PHE 51 Ca 0.49 -0.88 0.00 0.00 -0.00 0.00 0.00 57.45 57.06 1n4c n PHE 51 Cb 0.09 -1.01 0.00 0.00 -0.00 0.00 0.00 39.48 38.57 1n4c n PHE 51 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1n4c n GLU 52 N 7.34 0.00 0.22 -4.13 2.13 -1.26 -4.89 120.64 120.05 1n4c n GLU 52 Ca 0.43 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.43 1n4c n GLU 52 Cb 0.37 0.00 0.86 0.00 0.27 0.00 0.00 31.44 32.94 1n4c n GLU 52 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1n4c h ASP 53 N 0.00 0.00 -0.76 4.31 3.04 -1.88 -0.52 116.42 120.62 1n4c h ASP 53 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 1n4c h ASP 53 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 1n4c h ASP 53 CO 0.00 0.00 0.44 0.25 -2.04 0.00 0.00 179.24 177.89 1n4c h LEU 54 N 0.00 0.92 -3.71 0.15 5.85 -1.90 -2.60 115.31 114.02 1n4c h LEU 54 Ca 0.08 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1n4c h LEU 54 Cb 0.53 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1n4c h LEU 54 CO -0.00 0.73 0.01 -0.11 -0.34 0.00 0.00 178.44 178.73 1n4c n LEU 55 N -4.48 2.61 -2.69 2.25 7.94 -0.20 -3.56 117.00 118.86 1n4c n LEU 55 Ca 0.07 -1.31 -0.06 0.00 -1.11 0.00 0.00 56.01 53.61 1n4c n LEU 55 Cb 0.07 -0.58 0.09 0.00 0.53 0.00 0.00 43.42 43.53 1n4c n LEU 55 CO 0.37 0.51 0.54 -1.54 -1.11 0.00 0.00 177.39 176.16 1n4c n SER 56 N 1.96 -1.75 0.00 1.96 3.41 -0.98 -5.06 113.62 113.16 1n4c n SER 56 Ca 0.04 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 1n4c n SER 56 Cb 0.29 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 1n4c n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n4c n GLY 57 N 0.76 -1.71 0.04 5.00 0.00 -1.23 -4.98 105.19 103.07 1n4c n GLY 57 Ca 0.01 0.72 0.02 0.00 0.00 0.00 0.00 46.02 46.76 1n4c n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1n4c n GLN 58 N 0.00 0.02 -3.17 1.61 7.27 -1.26 -3.63 117.38 118.22 1n4c n GLN 58 Ca 0.00 0.34 0.03 0.00 0.07 0.00 0.00 57.00 57.44 1n4c n GLN 58 Cb 0.00 -1.83 -0.00 0.00 2.41 0.00 0.00 30.24 30.81 1n4c n GLN 58 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1n4c s GLY 59 N -2.67 -1.27 0.00 1.69 0.00 -1.26 -5.01 107.32 98.80 1n4c s GLY 59 Ca -0.00 0.72 -0.01 0.00 0.00 0.00 0.00 44.72 45.42 1n4c s GLY 59 CO 0.03 3.70 2.31 0.33 0.00 0.00 0.00 173.10 179.47 1n4c n PHE 60 N 4.95 0.00 -3.27 1.90 7.35 -1.24 -4.78 117.46 122.38 1n4c n PHE 60 Ca 0.08 -1.08 -0.03 0.00 -0.76 0.00 0.00 57.45 55.66 1n4c n PHE 60 Cb 0.56 -0.76 0.01 0.00 0.35 0.00 0.00 39.48 39.64 1n4c n PHE 60 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1n4c n ASN 61 N 1.77 -0.70 -3.63 -2.13 6.94 -1.26 -5.18 115.26 111.07 1n4c n ASN 61 Ca 0.10 -1.50 -0.09 0.00 -0.02 0.00 0.00 54.58 53.08 1n4c n ASN 61 Cb 0.58 1.17 -0.07 0.00 -2.36 0.00 0.00 39.78 39.11 1n4c n ASN 61 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n4c s ALA 62 N -1.36 -2.00 -0.03 -2.53 0.00 -1.26 -5.11 121.76 109.47 1n4c s ALA 62 Ca 0.05 1.80 -0.30 0.00 0.00 0.00 0.00 51.96 53.50 1n4c s ALA 62 Cb -0.01 -1.34 -0.09 0.00 0.00 0.00 0.00 23.12 21.68 1n4c s ALA 62 CO 0.04 -0.23 2.01 0.72 0.00 0.00 0.00 175.76 178.30 1n4c n HIS 63 N 1.81 2.38 -2.72 0.00 8.25 -1.26 -4.93 115.22 118.75 1n4c n HIS 63 Ca -0.11 -0.28 -0.40 0.00 -0.26 0.00 0.00 57.72 56.66 1n4c n HIS 63 Cb 0.56 -2.77 -0.06 0.00 1.12 0.00 0.00 29.99 28.85 1n4c n HIS 63 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1n4c s LYS 64 N 4.78 4.81 -0.47 -0.41 1.02 -1.26 -4.98 119.74 123.24 1n4c s LYS 64 Ca 0.92 1.52 0.06 0.00 0.02 0.00 0.00 55.97 58.49 1n4c s LYS 64 Cb -0.46 -3.28 0.28 0.00 -0.52 0.00 0.00 37.83 33.85 1n4c s LYS 64 CO 0.42 0.44 1.00 -0.40 -0.92 0.00 0.00 175.35 175.90 1n4c n ASP 65 N 1.64 -2.55 -4.56 2.83 5.75 -1.26 -5.07 116.55 113.33 1n4c n ASP 65 Ca -0.01 -3.51 -0.34 0.00 -0.01 0.00 0.00 54.79 50.92 1n4c n ASP 65 Cb 0.47 1.84 -0.04 0.00 -1.03 0.00 0.00 41.12 42.36 1n4c n ASP 65 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1n4c s LYS 66 N 0.43 2.95 -0.49 0.11 -2.85 -1.26 -4.73 119.74 113.90 1n4c s LYS 66 Ca 0.27 -0.47 0.06 0.00 -1.00 0.00 0.00 55.97 54.83 1n4c s LYS 66 Cb 0.26 -5.03 0.24 0.00 -2.06 0.00 0.00 37.83 31.24 1n4c s LYS 66 CO -0.14 -2.84 0.86 0.36 0.10 0.00 0.00 175.35 173.68 1n4c n LYS 67 N 8.94 0.76 -2.24 1.78 2.85 -1.26 -5.15 118.16 123.84 1n4c n LYS 67 Ca 0.33 -1.84 -0.27 0.00 -1.05 0.00 0.00 58.31 55.48 1n4c n LYS 67 Cb 0.49 -1.46 0.14 0.00 -0.65 0.00 0.00 35.03 33.56 1n4c n LYS 67 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1n4c s GLY 68 N -1.49 1.77 0.98 2.58 0.00 -1.26 -5.07 107.32 104.83 1n4c s GLY 68 Ca 0.32 -1.42 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 1n4c s GLY 68 CO -0.23 -0.76 1.12 2.56 0.00 0.00 0.00 173.10 175.79 1n4c s PRO 69 N -5.52 0.55 -0.37 2.90 0.04 -1.26 -5.04 135.00 126.30 1n4c s PRO 69 Ca 0.70 0.34 0.12 0.00 0.04 0.00 0.00 61.00 62.20 1n4c s PRO 69 Cb -0.05 -1.77 0.36 0.00 0.04 0.00 0.00 34.50 33.08 1n4c s PRO 69 CO 0.49 -2.61 0.74 -2.13 0.04 0.00 0.00 177.00 173.53 1n4c n ARG 70 N -4.06 0.99 -4.30 4.56 0.63 -1.26 -5.08 116.66 108.14 1n4c n ARG 70 Ca 0.06 -3.38 -0.19 0.00 -0.92 0.00 0.00 57.85 53.43 1n4c n ARG 70 Cb 0.58 -1.69 -0.15 0.00 0.45 0.00 0.00 32.46 31.65 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 -2.47 0.64 -1.40 5.15 -4.23 -1.26 -4.99 115.64 107.08 1n4c s THR 71 Ca 0.39 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1n4c s THR 71 Cb 0.35 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.63 1n4c s THR 71 CO -0.07 0.20 0.54 0.00 -0.54 0.00 0.00 174.62 174.74 1n4c n ILE 72 N 3.13 0.44 0.22 2.99 3.06 -1.26 -0.94 119.36 127.00 1n4c n ILE 72 Ca -0.16 0.14 0.12 0.00 -2.50 0.00 0.00 62.75 60.34 1n4c n ILE 72 Cb 0.56 -1.14 0.17 0.00 0.54 0.00 0.00 39.64 39.77 1n4c n ILE 72 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1n4c h ALA 73 N 1.62 0.98 0.08 1.51 0.00 -2.01 -3.30 119.26 118.14 1n4c h ALA 73 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1n4c h ALA 73 Cb 0.05 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.86 1n4c h ALA 73 CO 0.00 0.03 -0.76 1.49 0.00 0.00 0.00 179.25 180.01 1n4c h GLU 74 N 0.00 0.38 0.10 0.00 4.81 -1.46 -2.55 114.58 115.85 1n4c h GLU 74 Ca -0.00 -0.51 0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1n4c h GLU 74 Cb 1.01 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 1n4c h GLU 74 CO 0.00 1.19 -0.40 1.98 -0.73 0.00 0.00 179.01 181.05 1n4c h MET 75 N -0.19 -0.60 -0.89 1.92 4.05 -1.73 -1.05 114.93 116.44 1n4c h MET 75 Ca -0.12 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1n4c h MET 75 Cb 1.53 0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 32.41 1n4c h MET 75 CO 0.15 -0.40 0.59 0.00 0.23 0.00 0.00 176.91 177.47 1n4c h ARG 76 N -0.62 1.13 -0.38 0.39 2.47 -1.68 -0.59 114.38 115.10 1n4c h ARG 76 Ca 0.03 -0.07 0.11 0.00 -1.26 0.00 0.00 59.98 58.79 1n4c h ARG 76 Cb 0.66 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1n4c h ARG 76 CO -0.25 0.75 0.31 -0.22 0.56 0.00 0.00 179.97 181.12 1n4c h LYS 77 N 1.17 0.00 0.00 0.04 3.64 -0.78 -2.31 116.57 118.33 1n4c h LYS 77 Ca 0.34 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1n4c h LYS 77 Cb -0.07 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1n4c h LYS 77 CO -0.09 0.00 -0.18 1.49 -2.27 0.00 0.00 179.45 178.41 1n4c h GLU 78 N 0.00 0.00 -0.04 1.90 4.81 -0.29 -2.99 114.58 117.97 1n4c h GLU 78 Ca 0.18 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1n4c h GLU 78 Cb 0.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1n4c h GLU 78 CO -0.00 0.79 -0.10 0.93 -0.73 0.00 0.00 179.01 179.90 1n4c h GLU 79 N -1.00 -0.09 -1.00 1.92 5.08 -1.00 2.25 114.58 120.74 1n4c h GLU 79 Ca -0.04 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.58 1n4c h GLU 79 Cb 0.85 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.04 1n4c h GLU 79 CO -0.03 -0.06 0.67 0.52 -1.00 0.00 0.00 179.01 179.11 1n4c h MET 80 N -0.10 0.31 -0.01 2.33 2.86 -1.64 1.35 114.93 120.05 1n4c h MET 80 Ca 0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1n4c h MET 80 Cb 0.12 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1n4c h MET 80 CO -0.09 0.21 -0.08 0.00 1.06 0.00 0.00 176.91 178.01 1n4c n ALA 81 N -2.54 2.75 1.78 6.32 0.00 0.39 -3.51 120.51 125.70 1n4c n ALA 81 Ca 0.23 -0.34 0.15 0.00 0.00 0.00 0.00 53.44 53.47 1n4c n ALA 81 Cb 0.87 -1.27 0.74 0.00 0.00 0.00 0.00 19.45 19.80 1n4c n ALA 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1n4c n LYS 82 N -0.52 1.28 -2.81 0.00 4.81 0.73 -4.23 118.16 117.43 1n4c n LYS 82 Ca 0.17 -0.41 -0.10 0.00 -0.87 0.00 0.00 58.31 57.10 1n4c n LYS 82 Cb 0.29 -1.48 0.06 0.00 0.02 0.00 0.00 35.03 33.92 1n4c n LYS 82 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1n4c n GLU 83 N -0.49 0.92 -0.28 1.64 4.07 -1.23 -4.98 120.64 120.29 1n4c n GLU 83 Ca 0.21 -2.07 0.00 0.00 -0.06 0.00 0.00 57.16 55.24 1n4c n GLU 83 Cb 0.21 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 1n4c n GLU 83 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1n4c n MET 84 N 0.84 0.60 -1.54 5.31 0.00 -1.26 -4.85 117.12 116.22 1n4c n MET 84 Ca 0.10 0.00 -0.45 0.00 -0.00 0.00 0.00 57.70 57.35 1n4c n MET 84 Cb 0.66 -1.20 -0.01 0.00 0.00 0.00 0.00 33.22 32.67 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 1.63 0.60 0.00 6.12 -0.08 -1.26 -4.73 116.55 118.83 1n4c n ASP 85 Ca 0.00 1.14 0.02 0.00 -1.51 0.00 0.00 54.79 54.44 1n4c n ASP 85 Cb 0.30 -1.21 0.12 0.00 2.34 0.00 0.00 41.12 42.67 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 0.73 0.13 -0.05 -0.67 -0.04 -1.26 -1.49 135.00 132.34 1n4c n PRO 86 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 1n4c n PRO 86 Cb 0.32 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.00 0.69 0.15 0.54 1.02 -1.26 -4.05 120.64 116.73 1n4c n GLU 87 Ca 0.03 0.20 0.02 0.00 -0.02 0.00 0.00 57.16 57.40 1n4c n GLU 87 Cb 0.01 -1.66 0.15 0.00 -0.02 0.00 0.00 31.44 29.93 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 0.03 0.00 -0.96 3.49 1.57 -1.59 -3.13 116.57 115.98 1n4c h LYS 88 Ca -0.45 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.55 1n4c h LYS 88 Cb 2.03 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 34.26 1n4c h LYS 88 CO 0.04 0.52 0.62 1.25 -0.57 0.00 0.00 179.45 181.30 1n4c h LEU 89 N 0.00 0.50 -0.84 2.94 7.12 -1.62 0.22 115.31 123.64 1n4c h LEU 89 Ca -0.01 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 1n4c h LEU 89 Cb 1.21 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 41.27 1n4c h LEU 89 CO 0.07 0.18 0.48 0.50 -0.13 0.00 0.00 178.44 179.54 1n4c h LYS 90 N 0.49 1.15 -0.17 1.25 3.64 -1.74 -2.81 116.57 118.38 1n4c h LYS 90 Ca 0.52 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1n4c h LYS 90 Cb 1.17 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1n4c h LYS 90 CO -0.24 0.82 0.05 0.82 -2.27 0.00 0.00 179.45 178.64 1n4c h ILE 91 N 1.15 1.18 -1.00 2.00 2.04 -0.74 -2.43 117.51 119.72 1n4c h ILE 91 Ca 0.30 -0.56 0.29 0.00 1.00 0.00 0.00 64.86 65.88 1n4c h ILE 91 Cb -0.01 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1n4c h ILE 91 CO -0.05 0.17 0.71 -0.07 0.00 0.00 0.00 178.15 178.91 1n4c h LEU 92 N 0.09 0.02 0.00 1.44 3.38 -1.20 0.51 115.31 119.56 1n4c h LEU 92 Ca 0.05 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 1n4c h LEU 92 Cb 0.22 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1n4c h LEU 92 CO -0.00 0.01 -0.93 -0.33 0.09 0.00 0.00 178.44 177.27 1n4c h GLU 93 N 0.02 0.00 -0.15 1.13 5.08 -1.34 -3.07 114.58 116.26 1n4c h GLU 93 Ca 0.48 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.62 1n4c h GLU 93 Cb 1.88 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.13 1n4c h GLU 93 CO -0.02 0.72 -0.75 2.35 -1.00 0.00 0.00 179.01 180.31 1n4c h TRP 94 N 0.00 0.97 -0.07 4.33 7.01 0.35 -3.13 115.95 125.41 1n4c h TRP 94 Ca -0.05 -0.42 -0.21 0.00 2.11 0.00 0.00 58.89 60.32 1n4c h TRP 94 Cb 1.64 -0.15 0.01 0.00 -2.10 0.00 0.00 29.16 28.56 1n4c h TRP 94 CO 0.00 1.24 -0.76 -0.84 -2.79 0.00 0.00 178.44 175.29 1n4c h ILE 95 N 0.50 1.32 0.00 2.65 3.07 -1.37 -3.09 117.51 120.59 1n4c h ILE 95 Ca -0.04 -2.03 0.00 0.00 1.55 0.00 0.00 64.86 64.33 1n4c h ILE 95 Cb 1.37 2.25 0.00 0.00 -0.27 0.00 0.00 36.82 40.17 1n4c h ILE 95 CO 0.15 0.62 0.00 -1.84 -1.05 0.00 0.00 178.15 176.03 1n4c n GLU 96 N -4.03 0.09 0.04 0.16 0.28 -1.16 -1.85 120.64 114.16 1n4c n GLU 96 Ca -0.09 0.23 -0.20 0.00 -0.16 0.00 0.00 57.16 56.95 1n4c n GLU 96 Cb 0.74 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 32.00 1n4c n GLU 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1n4c h GLY 97 N 1.91 0.64 -5.00 -1.84 0.00 -1.48 -3.43 103.07 93.87 1n4c h GLY 97 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 47.33 46.03 1n4c h GLY 97 CO 0.00 1.03 -0.22 0.58 0.00 0.00 0.00 176.54 177.93 1n4c n LYS 98 N -3.99 0.40 0.00 4.80 2.85 -1.03 -4.99 118.16 116.20 1n4c n LYS 98 Ca -0.11 -1.12 0.00 0.00 -1.05 0.00 0.00 58.31 56.03 1n4c n LYS 98 Cb 0.82 -0.71 0.00 0.00 -0.65 0.00 0.00 35.03 34.49 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 1.49 0.66 -1.39 -1.58 0.28 -0.77 -2.70 120.64 116.62 1n4c n GLU 99 Ca 0.04 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.08 1n4c n GLU 99 Cb 0.68 -1.25 0.02 0.00 1.43 0.00 0.00 31.44 32.31 1n4c n GLU 99 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1n4c n ARG 100 N 0.41 0.00 -3.14 3.44 0.63 -1.26 -4.69 116.66 112.04 1n4c n ARG 100 Ca 0.00 -1.89 -0.19 0.00 -0.92 0.00 0.00 57.85 54.85 1n4c n ARG 100 Cb 0.24 -0.05 -0.03 0.00 0.45 0.00 0.00 32.46 33.08 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 0.44 1.33 -0.36 6.15 2.85 -1.10 -4.90 115.26 119.68 1n4c n ASN 101 Ca 0.05 -3.09 0.32 0.00 -0.11 0.00 0.00 54.58 51.75 1n4c n ASN 101 Cb 1.10 -0.61 0.58 0.00 1.24 0.00 0.00 39.78 42.09 1n4c n ASN 101 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1n4c h ILE 102 N 1.32 0.09 -0.99 -1.44 -0.00 -1.85 0.86 117.51 115.50 1n4c h ILE 102 Ca 0.10 -0.03 0.07 0.00 -0.00 0.00 0.00 64.86 65.00 1n4c h ILE 102 Cb 0.92 -0.01 -0.07 0.00 -0.00 0.00 0.00 36.82 37.66 1n4c h ILE 102 CO 0.54 0.02 0.64 0.08 -0.00 0.00 0.00 178.15 179.43 1n4c h ARG 103 N 0.09 1.11 0.22 2.19 0.11 -1.97 -2.44 114.38 113.70 1n4c h ARG 103 Ca 0.82 -0.07 -0.31 0.00 0.10 0.00 0.00 59.98 60.52 1n4c h ARG 103 Cb 2.23 -0.25 0.03 0.00 1.11 0.00 0.00 29.97 33.09 1n4c h ARG 103 CO -0.65 0.74 -1.41 0.00 0.10 0.00 0.00 179.97 178.75 1n4c h ALA 104 N 1.46 -0.09 -0.57 0.08 0.00 0.29 -3.04 119.26 117.39 1n4c h ALA 104 Ca 0.43 -0.89 0.10 0.00 0.00 0.00 0.00 54.91 54.56 1n4c h ALA 104 Cb 0.19 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1n4c h ALA 104 CO -0.18 0.69 0.12 -0.07 0.00 0.00 0.00 179.25 179.81 1n4c h LEU 105 N 0.03 0.00 -0.83 0.00 3.38 -0.89 0.70 115.31 117.71 1n4c h LEU 105 Ca -0.26 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1n4c h LEU 105 Cb 2.05 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.94 1n4c h LEU 105 CO 0.23 0.02 -0.08 0.17 0.09 0.00 0.00 178.44 178.87 1n4c h LEU 106 N 0.25 0.00 -1.64 1.67 8.10 -1.57 -0.30 115.31 121.83 1n4c h LEU 106 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.29 1n4c h LEU 106 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1n4c h LEU 106 CO -0.38 0.08 0.00 -1.20 -4.11 0.00 0.00 178.44 172.83 1n4c n SER 107 N -3.16 2.50 0.00 0.17 7.64 0.58 -4.03 113.62 117.32 1n4c n SER 107 Ca 0.02 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 58.07 1n4c n SER 107 Cb 0.43 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1n4c n SER 107 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1n4c n THR 108 N 0.91 0.28 0.22 0.44 -2.24 0.21 -4.57 114.28 109.54 1n4c n THR 108 Ca 0.17 -0.32 0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1n4c n THR 108 Cb 0.49 0.98 0.39 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 -1.19 -3.11 114.93 108.31 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 0.73 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.78 1n4c h MET 109 CO 0.00 0.21 -0.02 1.12 0.14 0.00 0.00 176.91 178.36 1n4c h HIS 110 N 0.00 0.00 0.00 1.39 2.07 -1.86 -0.58 115.15 116.17 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 0.84 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.82 1n4c h HIS 110 CO 0.00 0.02 0.00 0.25 -3.07 0.00 0.00 177.93 175.13 1n4c n THR 111 N -3.97 0.00 -2.37 6.12 -2.24 -1.18 -3.56 114.28 107.09 1n4c n THR 111 Ca -0.03 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1n4c n THR 111 Cb 0.10 -0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 -0.72 0.00 -2.52 2.28 0.24 -0.23 -5.03 118.33 112.35 1n4c n VAL 112 Ca 0.09 -0.74 -0.24 0.00 -2.04 0.00 0.00 64.34 61.40 1n4c n VAL 112 Cb 0.04 0.87 0.12 0.00 -1.47 0.00 0.00 33.84 33.41 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 2.93 0.30 1.34 1.43 -1.19 -4.94 118.68 118.55 1n4c s LEU 113 Ca 0.25 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.86 1n4c s LEU 113 Cb 0.29 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.47 1n4c s LEU 113 CO -0.13 -2.00 0.75 -1.66 0.23 0.00 0.00 176.35 173.54 1n4c s TRP 114 N -3.24 3.45 -0.20 0.29 -2.14 -1.26 -4.97 118.94 110.86 1n4c s TRP 114 Ca 0.68 1.31 -0.29 0.00 2.66 0.00 0.00 56.10 60.46 1n4c s TRP 114 Cb -0.05 -2.59 -0.04 0.00 -3.10 0.00 0.00 33.47 27.69 1n4c s TRP 114 CO 0.46 0.15 1.92 0.00 -2.66 0.00 0.00 176.95 176.82 1n4c s ALA 115 N -1.86 3.04 0.00 2.67 0.00 -1.26 -3.20 121.76 121.15 1n4c s ALA 115 Ca 0.52 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1n4c s ALA 115 Cb -0.12 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1n4c s ALA 115 CO 0.18 -2.34 0.00 0.41 0.00 0.00 0.00 175.76 174.01 1n4c n GLY 116 N 5.20 3.13 3.60 0.00 0.00 -1.26 -5.09 105.19 110.77 1n4c n GLY 116 Ca 0.24 -0.43 -0.47 0.00 0.00 0.00 0.00 46.02 45.36 1n4c n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n4c n GLU 117 N 0.00 1.94 -0.09 1.61 4.07 -1.19 -4.78 120.64 122.20 1n4c n GLU 117 Ca 0.00 0.63 0.04 0.00 -0.06 0.00 0.00 57.16 57.78 1n4c n GLU 117 Cb 0.00 -2.82 0.06 0.00 -0.06 0.00 0.00 31.44 28.62 1n4c n GLU 117 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1n4c n THR 118 N 6.44 1.19 -0.05 6.31 -2.24 -1.26 -4.67 114.28 120.00 1n4c n THR 118 Ca 0.29 -1.36 -0.01 0.00 -2.27 0.00 0.00 64.05 60.70 1n4c n THR 118 Cb 0.34 0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.81 1.03 -1.74 -0.78 4.76 -1.26 -4.96 118.16 114.40 1n4c n LYS 119 Ca 0.07 -0.07 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1n4c n LYS 119 Cb 0.49 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.73 2.61 -0.50 2.13 -0.11 -1.26 -4.95 118.94 114.13 1n4c s TRP 120 Ca -0.07 0.21 -0.07 0.00 1.22 0.00 0.00 56.10 57.39 1n4c s TRP 120 Cb 0.07 -4.14 0.13 0.00 -1.50 0.00 0.00 33.47 28.03 1n4c s TRP 120 CO 0.68 -4.49 0.35 0.21 -4.62 0.00 0.00 176.95 169.08 1n4c s LYS 121 N 1.81 2.44 0.23 5.86 2.20 -1.26 -5.06 119.74 125.96 1n4c s LYS 121 Ca 0.77 -1.92 -0.20 0.00 -0.36 0.00 0.00 55.97 54.26 1n4c s LYS 121 Cb -0.48 -3.85 -0.13 0.00 -1.51 0.00 0.00 37.83 31.86 1n4c s LYS 121 CO 0.34 -1.17 0.25 -2.30 -0.36 0.00 0.00 175.35 172.11 1n4c n PRO 122 N 4.59 0.00 -3.39 4.03 -0.02 -1.26 -4.89 135.00 134.06 1n4c n PRO 122 Ca -0.03 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.07 1n4c n PRO 122 Cb 0.41 -0.79 -0.07 0.00 -0.02 0.00 0.00 33.50 33.02 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 -1.03 5.20 -0.03 -1.45 1.01 -1.26 -5.03 120.40 117.80 1n4c s VAL 123 Ca 0.49 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1n4c s VAL 123 Cb -0.63 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1n4c s VAL 123 CO 0.47 0.25 1.60 -0.83 0.00 0.00 0.00 175.10 176.59 1n4c s GLY 124 N 1.02 1.59 0.62 4.51 0.00 -1.26 -4.81 107.32 108.99 1n4c s GLY 124 Ca 0.19 0.95 0.22 0.00 0.00 0.00 0.00 44.72 46.07 1n4c s GLY 124 CO 0.08 2.91 1.39 -0.33 0.00 0.00 0.00 173.10 177.15 1n4c h MET 125 N 9.02 0.00 0.00 2.90 2.86 -1.96 2.80 114.93 130.55 1n4c h MET 125 Ca -0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1n4c h MET 125 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1n4c h MET 125 CO 0.94 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.91 1n4c n ALA 126 N -2.07 2.27 -0.25 6.32 0.00 -1.26 -3.48 120.51 122.04 1n4c n ALA 126 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1n4c n ALA 126 Cb 1.18 -1.46 0.09 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.92 3.77 -2.44 0.00 9.92 0.94 -4.04 116.55 122.78 1n4c n ASP 127 Ca 0.06 -2.87 -0.01 0.00 -0.53 0.00 0.00 54.79 51.44 1n4c n ASP 127 Cb 0.38 -0.72 0.07 0.00 -0.64 0.00 0.00 41.12 40.21 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 -0.28 -0.06 -0.05 0.64 -0.00 -1.23 -4.60 117.00 111.43 1n4c n LEU 128 Ca 0.31 -2.90 0.14 0.00 -0.00 0.00 0.00 56.01 53.57 1n4c n LEU 128 Cb 1.05 0.22 0.68 0.00 -0.00 0.00 0.00 43.42 45.36 1n4c n LEU 128 CO 0.33 1.33 0.94 1.33 -0.00 0.00 0.00 177.39 181.31 1n4c n VAL 129 N -0.84 0.00 -3.94 1.47 0.24 -1.26 -4.83 118.33 109.18 1n4c n VAL 129 Ca -0.08 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.34 62.10 1n4c n VAL 129 Cb 0.86 -0.31 -0.10 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.57 0.12 0.47 3.34 -4.23 -1.26 -4.67 115.64 106.83 1n4c s THR 130 Ca 0.27 -0.96 0.14 0.00 -1.18 0.00 0.00 61.69 59.96 1n4c s THR 130 Cb 0.20 -0.61 0.30 0.00 1.34 0.00 0.00 72.50 73.73 1n4c s THR 130 CO 0.48 -0.53 2.06 1.55 -0.54 0.00 0.00 174.62 177.64 1n4c h PRO 131 N 4.10 0.27 -1.00 3.99 0.13 -1.93 -0.94 132.00 136.61 1n4c h PRO 131 Ca -0.32 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.85 1n4c h PRO 131 Cb 1.19 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 1n4c h PRO 131 CO 0.46 0.18 0.65 0.93 -0.23 0.00 0.00 178.00 179.99 1n4c h GLU 132 N 0.27 1.18 -0.04 0.86 5.08 -1.98 0.58 114.58 120.53 1n4c h GLU 132 Ca 0.15 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 1n4c h GLU 132 Cb 0.26 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1n4c h GLU 132 CO -0.03 0.78 -0.78 1.96 -1.00 0.00 0.00 179.01 179.93 1n4c h GLN 133 N 1.21 0.31 0.12 2.33 4.20 -1.50 -2.90 115.11 118.89 1n4c h GLN 133 Ca 0.42 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1n4c h GLN 133 Cb 0.10 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1n4c h GLN 133 CO -0.15 0.95 -0.06 0.28 -0.67 0.00 0.00 178.83 179.17 1n4c h VAL 134 N 0.20 0.87 -1.00 -0.54 2.07 -0.73 -3.17 116.25 113.94 1n4c h VAL 134 Ca -0.04 -1.27 0.17 0.00 0.82 0.00 0.00 66.70 66.38 1n4c h VAL 134 Cb 1.37 1.51 -0.10 0.00 -1.52 0.00 0.00 31.29 32.55 1n4c h VAL 134 CO 0.13 0.24 0.62 0.50 0.02 0.00 0.00 177.57 179.08 1n4c h LYS 135 N -0.90 0.81 -0.77 1.57 3.64 0.00 0.16 116.57 121.08 1n4c h LYS 135 Ca -0.02 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1n4c h LYS 135 Cb 0.53 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1n4c h LYS 135 CO 0.03 0.54 0.49 -0.22 -2.27 0.00 0.00 179.45 178.02 1n4c h LYS 136 N 0.84 0.93 0.15 1.90 3.64 -1.57 -2.88 116.57 119.57 1n4c h LYS 136 Ca 0.55 -0.06 -0.30 0.00 -1.27 0.00 0.00 60.65 59.58 1n4c h LYS 136 Cb 0.77 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1n4c h LYS 136 CO -0.35 0.61 -1.39 0.28 -2.27 0.00 0.00 179.45 176.33 1n4c h VAL 137 N 0.96 1.33 -0.80 2.00 2.07 -1.08 -3.25 116.25 117.47 1n4c h VAL 137 Ca 0.31 -2.90 0.23 0.00 0.82 0.00 0.00 66.70 65.16 1n4c h VAL 137 Cb 0.02 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1n4c h VAL 137 CO -0.11 0.85 0.63 0.22 0.02 0.00 0.00 177.57 179.18 1n4c h TYR 138 N 0.08 0.00 -0.27 1.57 3.20 -0.56 0.18 116.97 121.18 1n4c h TYR 138 Ca -0.20 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.54 1n4c h TYR 138 Cb 2.02 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.29 1n4c h TYR 138 CO 0.07 0.00 -0.34 -0.09 -1.64 0.00 0.00 178.16 176.16 1n4c h ARG 139 N 0.00 0.71 0.17 1.82 2.43 -1.56 -2.99 114.38 114.96 1n4c h ARG 139 Ca 0.38 -0.40 -0.25 0.00 -0.81 0.00 0.00 59.98 58.89 1n4c h ARG 139 Cb 1.64 0.03 0.03 0.00 -0.42 0.00 0.00 29.97 31.24 1n4c h ARG 139 CO -0.00 1.02 -1.09 0.87 -1.51 0.00 0.00 179.97 179.26 1n4c h LYS 140 N 0.45 0.45 -0.96 0.20 1.57 -0.90 -3.19 116.57 114.18 1n4c h LYS 140 Ca 0.03 -0.70 0.24 0.00 -1.87 0.00 0.00 60.65 58.35 1n4c h LYS 140 Cb 0.92 0.25 -0.07 0.00 0.08 0.00 0.00 32.23 33.42 1n4c h LYS 140 CO 0.08 1.32 0.64 0.00 -0.57 0.00 0.00 179.45 180.92 1n4c h ALA 141 N 0.16 2.32 0.00 3.86 0.00 -0.93 1.11 119.26 125.78 1n4c h ALA 141 Ca -0.18 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1n4c h ALA 141 Cb 1.84 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1n4c h ALA 141 CO 0.21 -0.65 -0.51 0.28 0.00 0.00 0.00 179.25 178.59 1n4c h VAL 142 N 0.35 1.32 0.00 0.00 2.07 -1.54 -2.67 116.25 115.78 1n4c h VAL 142 Ca 0.51 -1.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.17 1n4c h VAL 142 Cb 1.39 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1n4c h VAL 142 CO -0.19 0.50 -0.49 -0.07 0.02 0.00 0.00 177.57 177.33 1n4c h LEU 143 N 0.00 0.00 -1.64 2.57 3.38 0.12 -2.72 115.31 117.03 1n4c h LEU 143 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1n4c h LEU 143 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1n4c h LEU 143 CO 0.07 0.49 -0.04 0.58 0.09 0.00 0.00 178.44 179.63 1n4c h VAL 144 N 0.00 1.11 -0.29 1.22 2.07 -0.98 -2.72 116.25 116.66 1n4c h VAL 144 Ca -0.00 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1n4c h VAL 144 Cb 0.92 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 1n4c h VAL 144 CO 0.06 0.14 -0.07 1.33 0.02 0.00 0.00 177.57 179.06 1n4c n VAL 145 N -4.39 2.43 -1.92 2.57 0.24 -1.07 -4.93 118.33 111.25 1n4c n VAL 145 Ca -0.01 -2.51 -0.42 0.00 -2.04 0.00 0.00 64.34 59.36 1n4c n VAL 145 Cb 0.18 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.23 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 -3.12 2.88 0.07 6.34 5.04 -1.03 -4.86 115.29 120.61 1n4c s HIS 146 Ca 0.43 0.52 -0.13 0.00 -1.54 0.00 0.00 55.06 54.34 1n4c s HIS 146 Cb 0.38 -3.95 -0.03 0.00 0.04 0.00 0.00 32.58 29.02 1n4c s HIS 146 CO 0.02 -3.59 0.89 -2.30 -2.34 0.00 0.00 174.74 167.42 1n4c n PRO 147 N 4.42 -0.19 -0.48 2.88 -0.02 -1.26 0.23 135.00 140.58 1n4c n PRO 147 Ca 0.14 0.88 0.40 0.00 -2.02 0.00 0.00 63.50 62.90 1n4c n PRO 147 Cb 0.39 -1.30 0.68 0.00 -0.02 0.00 0.00 33.50 33.25 1n4c n PRO 147 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1n4c h ASP 148 N 0.00 0.19 1.28 2.55 5.19 -1.97 2.20 116.42 125.86 1n4c h ASP 148 Ca 0.07 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1n4c h ASP 148 Cb 0.17 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1n4c h ASP 148 CO -0.40 -0.18 0.00 0.29 -3.12 0.00 0.00 179.24 175.83 1n4c n LYS 149 N -4.60 0.24 -1.24 3.56 5.02 0.14 -3.29 118.16 117.99 1n4c n LYS 149 Ca 0.39 0.27 -0.02 0.00 -2.02 0.00 0.00 58.31 56.93 1n4c n LYS 149 Cb 1.54 -1.83 0.12 0.00 -0.02 0.00 0.00 35.03 34.85 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 -1.78 3.69 -2.58 7.82 0.00 0.73 -4.88 120.51 123.52 1n4c n ALA 150 Ca 0.05 -3.23 -0.42 0.00 0.00 0.00 0.00 53.44 49.84 1n4c n ALA 150 Cb 0.38 -0.44 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 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 -3.07 4.89 0.00 0.00 2.01 -0.39 -3.91 115.64 115.17 1n4c s THR 151 Ca 0.40 0.66 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1n4c s THR 151 Cb 0.38 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1n4c s THR 151 CO -0.06 -0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 1n4c n GLY 152 N 4.60 0.90 3.71 4.40 0.00 -1.26 -4.96 105.19 112.58 1n4c n GLY 152 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.31 4.53 0.44 1.61 -1.52 -1.25 -4.87 119.66 118.29 1n4c s GLN 153 Ca 0.00 1.50 0.20 0.00 -1.95 0.00 0.00 55.36 55.12 1n4c s GLN 153 Cb 0.00 -3.43 0.70 0.00 -0.22 0.00 0.00 33.01 30.06 1n4c s GLN 153 CO 0.00 -0.10 0.96 -2.30 -0.25 0.00 0.00 175.29 173.60 1n4c n PRO 154 N 3.90 0.01 -1.79 2.91 -0.02 -1.26 -0.07 135.00 138.67 1n4c n PRO 154 Ca 0.07 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.93 1n4c n PRO 154 Cb 0.50 -1.85 0.05 0.00 -0.02 0.00 0.00 33.50 32.17 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 -2.75 3.08 0.24 6.00 4.11 -1.26 -4.74 117.16 121.85 1n4c n TYR 155 Ca 0.18 -2.60 -0.10 0.00 -0.00 0.00 0.00 57.90 55.38 1n4c n TYR 155 Cb 1.14 -1.15 -0.05 0.00 -0.00 0.00 0.00 39.34 39.28 1n4c n TYR 155 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1n4c h GLU 156 N 2.63 -0.65 -1.01 -3.48 5.08 -0.69 -3.18 114.58 113.28 1n4c h GLU 156 Ca 0.55 0.04 0.25 0.00 -1.00 0.00 0.00 59.36 59.21 1n4c h GLU 156 Cb 0.39 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 1n4c h GLU 156 CO 1.41 -0.43 0.66 0.37 -1.00 0.00 0.00 179.01 180.02 1n4c h GLN 157 N -1.06 0.37 -0.61 2.33 5.75 -1.86 0.27 115.11 120.30 1n4c h GLN 157 Ca -0.07 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.53 1n4c h GLN 157 Cb 0.51 -0.08 -0.10 0.00 1.07 0.00 0.00 27.48 28.88 1n4c h GLN 157 CO 0.11 0.25 -0.00 1.88 -2.65 0.00 0.00 178.83 178.41 1n4c h TYR 158 N 0.38 -0.05 0.19 3.99 -1.99 -1.90 -0.95 116.97 116.65 1n4c h TYR 158 Ca 0.56 0.05 0.01 0.00 2.00 0.00 0.00 58.73 61.35 1n4c h TYR 158 Cb 1.45 0.12 -0.04 0.00 2.00 0.00 0.00 36.73 40.26 1n4c h TYR 158 CO -0.00 -0.16 -0.40 0.00 -0.00 0.00 0.00 178.16 177.59 1n4c h ALA 159 N 1.55 -0.75 -0.46 3.88 0.00 -1.00 -1.03 119.26 121.46 1n4c h ALA 159 Ca 0.32 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1n4c h ALA 159 Cb 0.51 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1n4c h ALA 159 CO -0.52 -0.98 0.32 0.87 0.00 0.00 0.00 179.25 178.94 1n4c h LYS 160 N -0.68 0.09 0.21 0.00 1.57 -1.37 0.91 116.57 117.30 1n4c h LYS 160 Ca 0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1n4c h LYS 160 Cb 0.68 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1n4c h LYS 160 CO -0.19 0.06 -0.10 0.52 -0.57 0.00 0.00 179.45 179.17 1n4c h MET 161 N 0.09 -0.28 0.00 3.15 2.86 0.01 -3.21 114.93 117.56 1n4c h MET 161 Ca 0.22 0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.75 1n4c h MET 161 Cb 0.74 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1n4c h MET 161 CO -0.02 0.11 -0.60 -0.84 1.06 0.00 0.00 176.91 176.62 1n4c h ILE 162 N -0.85 1.06 -0.78 -1.22 3.07 -0.92 -3.10 117.51 114.76 1n4c h ILE 162 Ca -0.03 -2.40 0.01 0.00 1.55 0.00 0.00 64.86 63.99 1n4c h ILE 162 Cb 0.51 2.46 -0.04 0.00 -0.27 0.00 0.00 36.82 39.48 1n4c h ILE 162 CO 0.05 0.59 0.51 0.15 -1.05 0.00 0.00 178.15 178.39 1n4c h PHE 163 N 0.00 0.99 0.12 0.16 3.04 0.75 -1.61 116.94 120.39 1n4c h PHE 163 Ca -0.01 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.80 1n4c h PHE 163 Cb 1.41 -0.33 0.02 0.00 2.56 0.00 0.00 35.95 39.60 1n4c h PHE 163 CO 0.00 0.63 -0.71 0.52 -2.02 0.00 0.00 178.31 176.73 1n4c h MET 164 N 1.06 0.28 -0.77 1.11 2.86 -1.63 -3.13 114.93 114.70 1n4c h MET 164 Ca 0.28 -0.45 0.12 0.00 -2.06 0.00 0.00 59.70 57.60 1n4c h MET 164 Cb -0.11 0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 1n4c h MET 164 CO -0.06 1.21 0.51 0.93 1.06 0.00 0.00 176.91 180.55 1n4c h GLU 165 N -0.41 0.54 -0.16 1.72 3.07 -1.47 1.61 114.58 119.48 1n4c h GLU 165 Ca -0.12 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.67 1n4c h GLU 165 Cb 1.55 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.33 1n4c h GLU 165 CO 0.13 0.36 -0.04 -0.07 -1.40 0.00 0.00 179.01 178.00 1n4c h LEU 166 N 0.56 0.32 -0.03 1.33 -0.00 -1.35 -3.01 115.31 113.12 1n4c h LEU 166 Ca 0.37 -0.37 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1n4c h LEU 166 Cb 0.66 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1n4c h LEU 166 CO -0.14 0.61 -0.28 -3.20 -0.00 0.00 0.00 178.44 175.44 1n4c n ASN 167 N -4.68 0.33 -0.01 -0.43 2.85 -0.50 -3.33 115.26 109.49 1n4c n ASN 167 Ca -0.05 -0.02 -0.06 0.00 -0.11 0.00 0.00 54.58 54.34 1n4c n ASN 167 Cb 0.26 -0.06 -0.05 0.00 1.24 0.00 0.00 39.78 41.18 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 0.08 -0.08 0.44 1.20 3.58 0.24 -3.30 116.42 118.58 1n4c h ASP 168 Ca 0.00 -0.28 -0.05 0.00 0.42 0.00 0.00 57.03 57.12 1n4c h ASP 168 Cb 0.49 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1n4c h ASP 168 CO 0.00 0.53 -0.24 0.00 -2.88 0.00 0.00 179.24 176.65 1n4c h ALA 169 N -0.68 1.31 -0.92 -0.78 0.00 -1.69 -2.70 119.26 113.80 1n4c h ALA 169 Ca -0.01 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.82 1n4c h ALA 169 Cb 0.36 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1n4c h ALA 169 CO 0.02 0.30 0.53 2.35 0.00 0.00 0.00 179.25 182.45 1n4c h TRP 170 N 0.00 0.94 -0.11 0.00 2.91 -1.63 1.30 115.95 119.36 1n4c h TRP 170 Ca -0.00 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 1n4c h TRP 170 Cb 0.53 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 1n4c h TRP 170 CO 0.00 0.28 -0.09 1.03 -1.03 0.00 0.00 178.44 178.63 1n4c h SER 171 N 0.77 0.15 0.20 2.65 0.87 -1.55 -1.47 113.55 115.16 1n4c h SER 171 Ca 0.49 -0.02 -0.27 0.00 -1.23 0.00 0.00 61.79 60.76 1n4c h SER 171 Cb 0.64 -0.04 0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1n4c h SER 171 CO -0.33 0.26 -1.20 -0.08 -0.53 0.00 0.00 176.83 174.95 1n4c h GLU 172 N 0.15 0.42 -0.88 2.24 4.57 0.29 -2.11 114.58 119.26 1n4c h GLU 172 Ca 0.03 -0.72 0.09 0.00 -1.18 0.00 0.00 59.36 57.58 1n4c h GLU 172 Cb 0.27 0.27 -0.07 0.00 -0.16 0.00 0.00 28.75 29.06 1n4c h GLU 172 CO 0.01 1.35 0.53 0.35 -1.18 0.00 0.00 179.01 180.07 1n4c h PHE 173 N -0.10 0.97 -0.01 0.92 3.57 0.18 2.60 116.94 125.06 1n4c h PHE 173 Ca -0.21 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.24 1n4c h PHE 173 Cb 1.93 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 40.37 1n4c h PHE 173 CO 0.16 0.43 -0.30 0.93 -2.23 0.00 0.00 178.31 177.30 1n4c h GLU 174 N 0.91 0.23 -0.05 1.11 5.08 -1.36 -2.90 114.58 117.60 1n4c h GLU 174 Ca 0.41 -0.23 -0.22 0.00 -1.00 0.00 0.00 59.36 58.32 1n4c h GLU 174 Cb 0.31 0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.63 1n4c h GLU 174 CO -0.22 0.93 -0.84 -0.97 -1.00 0.00 0.00 179.01 176.91 1n4c h ASN 175 N -0.39 0.82 0.09 1.42 -0.73 -0.99 -0.68 115.58 115.12 1n4c h ASN 175 Ca -0.03 -0.71 -0.01 0.00 1.87 0.00 0.00 56.30 57.42 1n4c h ASN 175 Cb 1.03 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 39.37 1n4c h ASN 175 CO 0.06 1.41 -0.05 -0.61 -0.37 0.00 0.00 177.43 177.87 1n4c h GLN 176 N 0.30 0.00 0.00 6.67 -0.00 0.44 -3.42 115.11 119.11 1n4c h GLN 176 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1n4c h GLN 176 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.98 1n4c h GLN 176 CO 0.17 0.05 0.00 0.41 0.00 0.00 0.00 178.83 179.46 1n4c n GLY 177 N -1.21 -1.43 1.88 2.39 0.00 -1.10 -5.00 105.19 100.73 1n4c n GLY 177 Ca -0.03 0.86 -0.02 0.00 0.00 0.00 0.00 46.02 46.83 1n4c n GLY 177 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1n4c n GLN 178 N 0.00 0.71 -3.58 1.61 7.27 -0.27 -4.67 117.38 118.45 1n4c n GLN 178 Ca 0.00 -0.17 -0.15 0.00 0.07 0.00 0.00 57.00 56.76 1n4c n GLN 178 Cb 0.00 -1.40 -0.06 0.00 2.41 0.00 0.00 30.24 31.20 1n4c n GLN 178 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1n4c s LYS 179 N 1.22 1.01 -0.32 3.69 1.02 -1.26 -4.96 119.74 120.14 1n4c s LYS 179 Ca 0.11 -0.11 -0.44 0.00 0.02 0.00 0.00 55.97 55.54 1n4c s LYS 179 Cb 0.05 0.46 -0.20 0.00 -0.52 0.00 0.00 37.83 37.63 1n4c s LYS 179 CO 0.00 -0.35 1.41 -2.30 -0.92 0.00 0.00 175.35 173.19 1n4c n PRO 180 N 0.61 0.01 -0.69 -1.68 -0.02 -1.26 -4.69 135.00 127.28 1n4c n PRO 180 Ca -0.19 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.96 1n4c n PRO 180 Cb 0.59 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.51 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 3.09 2.54 0.00 2.45 7.94 -1.26 -5.15 117.00 126.61 1n4c n LEU 181 Ca 0.27 -2.13 0.00 0.00 -1.11 0.00 0.00 56.01 53.04 1n4c n LEU 181 Cb -0.01 -0.81 0.00 0.00 0.53 0.00 0.00 43.42 43.13 1n4c n LEU 181 CO 0.79 -0.90 0.00 -1.22 -1.11 0.00 0.00 177.39 174.96