#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 -1.10 -2.48 1.61 -0.04 -1.26 -4.98 135.00 126.75 1n4c n PRO 2 Ca 0.00 -0.70 -0.42 0.00 -0.04 0.00 0.00 63.50 62.34 1n4c n PRO 2 Cb 0.00 -0.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.88 1n4c n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n4c s LEU 3 N 0.00 4.38 -0.28 1.53 1.43 -1.26 -5.00 118.68 119.48 1n4c s LEU 3 Ca 0.27 1.95 -0.25 0.00 -1.03 0.00 0.00 54.13 55.07 1n4c s LEU 3 Cb -0.02 -3.58 0.15 0.00 0.03 0.00 0.00 46.19 42.77 1n4c s LEU 3 CO 0.20 -0.42 1.17 -0.83 0.23 0.00 0.00 176.35 176.70 1n4c s GLY 4 N 0.99 0.02 -0.43 -3.19 0.00 -1.26 -5.09 107.32 98.36 1n4c s GLY 4 Ca 0.57 2.94 0.06 0.00 0.00 0.00 0.00 44.72 48.29 1n4c s GLY 4 CO 0.29 1.83 1.18 1.44 0.00 0.00 0.00 173.10 177.85 1n4c n SER 5 N 1.93 -2.08 0.01 1.64 7.64 -1.26 -5.01 113.62 116.48 1n4c n SER 5 Ca -0.11 -3.23 -0.18 0.00 1.01 0.00 0.00 58.87 56.36 1n4c n SER 5 Cb 0.56 1.73 -0.11 0.00 -1.01 0.00 0.00 64.21 65.39 1n4c n SER 5 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1n4c h PRO 6 N 2.83 0.47 0.00 1.43 0.13 -2.04 -3.45 132.00 131.37 1n4c h PRO 6 Ca -0.16 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1n4c h PRO 6 Cb 1.13 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1n4c h PRO 6 CO 0.10 1.14 0.00 0.39 -0.23 0.00 0.00 178.00 179.40 1n4c n GLU 7 N -4.16 1.61 0.00 0.86 1.02 -1.26 -5.04 120.64 113.67 1n4c n GLU 7 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1n4c n GLU 7 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.12 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 -0.39 -1.74 -1.50 -0.32 3.72 -1.26 -5.13 117.46 110.84 1n4c n PHE 8 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1n4c n PHE 8 Cb 0.00 0.37 0.12 0.00 -0.94 0.00 0.00 39.48 39.04 1n4c n PHE 8 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1n4c s SER 9 N -0.42 3.80 0.60 4.37 1.04 -1.26 -4.99 113.70 116.83 1n4c s SER 9 Ca 0.00 1.13 -0.19 0.00 0.48 0.00 0.00 55.95 57.38 1n4c s SER 9 Cb 0.00 -1.78 -0.03 0.00 0.10 0.00 0.00 66.02 64.31 1n4c s SER 9 CO 0.00 -2.39 1.20 -0.04 0.98 0.00 0.00 173.24 172.99 1n4c s MET 10 N -5.19 2.96 0.81 4.02 -1.94 -1.26 -4.92 119.30 113.78 1n4c s MET 10 Ca 0.63 1.81 -0.15 0.00 -1.71 0.00 0.00 55.69 56.27 1n4c s MET 10 Cb -0.15 -1.93 -0.13 0.00 2.01 0.00 0.00 34.83 34.63 1n4c s MET 10 CO 0.54 -1.21 -0.63 -2.30 -0.01 0.00 0.00 175.02 171.41 1n4c n PRO 11 N -1.63 0.00 0.08 2.03 -0.02 -1.26 -4.91 135.00 129.29 1n4c n PRO 11 Ca 0.13 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.54 1n4c n PRO 11 Cb 0.50 -0.87 -0.05 0.00 -0.02 0.00 0.00 33.50 33.07 1n4c n PRO 11 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1n4c h HIS 12 N -0.76 -0.27 -2.63 6.00 2.76 -2.05 -3.43 115.15 114.76 1n4c h HIS 12 Ca -0.38 -0.01 -0.53 0.00 -2.20 0.00 0.00 60.37 57.25 1n4c h HIS 12 Cb 1.14 0.09 0.02 0.00 1.55 0.00 0.00 27.41 30.21 1n4c h HIS 12 CO 0.18 -0.01 1.04 0.45 -1.30 0.00 0.00 177.93 178.30 1n4c s SER 13 N -5.31 6.56 0.05 3.26 0.15 -1.26 -4.56 113.70 112.60 1n4c s SER 13 Ca -0.08 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.10 1n4c s SER 13 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1n4c s SER 13 CO 0.27 -0.92 0.00 -0.24 1.20 0.00 0.00 173.24 173.55 1n4c n SER 14 N 5.85 -0.44 0.00 5.45 2.88 -1.26 -4.93 113.62 121.17 1n4c n SER 14 Ca 0.17 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1n4c n SER 14 Cb 0.40 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.50 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 -2.44 0.00 -3.53 -1.46 -0.02 -1.26 -4.42 135.00 121.86 1n4c n PRO 15 Ca 0.00 0.15 -0.17 0.00 -2.02 0.00 0.00 63.50 61.46 1n4c n PRO 15 Cb 0.00 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 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 -2.30 1.03 0.61 -0.52 2.00 -1.26 -5.16 119.66 114.05 1n4c s GLN 16 Ca -0.00 0.31 -0.09 0.00 -2.00 0.00 0.00 55.36 53.58 1n4c s GLN 16 Cb 0.00 0.49 0.13 0.00 0.80 0.00 0.00 33.01 34.43 1n4c s GLN 16 CO 0.00 -0.31 0.30 0.09 -0.50 0.00 0.00 175.29 174.87 1n4c n ASN 17 N 1.02 -2.44 -4.65 6.67 4.13 -1.26 -4.84 115.26 113.88 1n4c n ASN 17 Ca -0.18 -0.31 -0.36 0.00 1.68 0.00 0.00 54.58 55.41 1n4c n ASN 17 Cb 0.57 -0.44 0.08 0.00 -1.54 0.00 0.00 39.78 38.45 1n4c n ASN 17 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1n4c n ARG 18 N -2.10 0.75 -2.19 3.52 1.74 -1.26 -4.84 116.66 112.27 1n4c n ARG 18 Ca 0.05 0.31 -0.35 0.00 -0.77 0.00 0.00 57.85 57.09 1n4c n ARG 18 Cb 0.21 -2.32 -0.04 0.00 -1.02 0.00 0.00 32.46 29.30 1n4c n ARG 18 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1n4c s PRO 19 N -3.27 2.83 0.31 5.56 0.04 -1.26 -4.82 135.00 134.38 1n4c s PRO 19 Ca 0.77 -0.09 0.06 0.00 0.04 0.00 0.00 61.00 61.78 1n4c s PRO 19 Cb -0.37 -4.74 0.50 0.00 0.04 0.00 0.00 34.50 29.92 1n4c s PRO 19 CO 0.46 -2.80 1.73 -0.97 0.04 0.00 0.00 177.00 175.46 1n4c h ASN 20 N 12.17 0.27 -4.28 6.66 -0.73 -2.01 -3.43 115.58 124.22 1n4c h ASN 20 Ca -0.07 -0.10 -0.49 0.00 1.87 0.00 0.00 56.30 57.51 1n4c h ASN 20 Cb 1.07 -0.07 0.05 0.00 0.27 0.00 0.00 38.32 39.63 1n4c h ASN 20 CO 1.26 0.61 0.40 -0.31 -0.37 0.00 0.00 177.43 179.02 1n4c s TYR 21 N -4.26 3.48 -0.30 0.67 2.02 -1.26 -5.06 117.35 112.64 1n4c s TYR 21 Ca -0.05 1.38 0.06 0.00 -0.37 0.00 0.00 57.07 58.10 1n4c s TYR 21 Cb 0.14 -2.78 0.20 0.00 -0.40 0.00 0.00 41.96 39.12 1n4c s TYR 21 CO 0.77 -0.63 0.59 -0.80 -1.57 0.00 0.00 175.55 173.91 1n4c s ASN 22 N -3.62 -1.63 0.05 2.29 0.01 -1.26 -5.13 114.94 105.65 1n4c s ASN 22 Ca 0.57 0.09 -0.30 0.00 -0.71 0.00 0.00 52.86 52.51 1n4c s ASN 22 Cb -0.11 2.03 -0.04 0.00 0.41 0.00 0.00 41.25 43.54 1n4c s ASN 22 CO 0.44 -0.29 0.99 0.54 -1.51 0.00 0.00 177.10 177.28 1n4c s VAL 23 N 2.72 4.63 -0.29 1.60 0.11 -1.26 -4.99 120.40 122.93 1n4c s VAL 23 Ca 0.11 2.01 -0.29 0.00 -2.93 0.00 0.00 61.98 60.88 1n4c s VAL 23 Cb -0.09 -4.29 0.01 0.00 -1.53 0.00 0.00 36.38 30.48 1n4c s VAL 23 CO -0.24 0.22 1.06 -0.55 -3.33 0.00 0.00 175.10 172.26 1n4c s SER 24 N 0.58 6.98 0.51 3.54 0.15 -1.26 -5.02 113.70 119.18 1n4c s SER 24 Ca 0.50 1.14 -0.17 0.00 0.70 0.00 0.00 55.95 58.13 1n4c s SER 24 Cb -0.23 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.47 1n4c s SER 24 CO 0.29 -0.81 0.99 0.72 1.20 0.00 0.00 173.24 175.64 1n4c s PHE 25 N 3.49 3.36 0.11 3.44 -0.71 -1.26 -5.06 117.98 121.34 1n4c s PHE 25 Ca 0.45 1.49 -0.25 0.00 -1.04 0.00 0.00 56.93 57.58 1n4c s PHE 25 Cb -0.13 -2.84 0.08 0.00 -1.21 0.00 0.00 43.02 38.92 1n4c s PHE 25 CO 0.12 -0.45 0.78 0.45 -1.34 0.00 0.00 175.22 174.78 1n4c s SER 26 N -2.89 -0.40 -0.40 1.98 0.15 -1.26 -5.12 113.70 105.75 1n4c s SER 26 Ca 0.60 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 57.11 1n4c s SER 26 Cb -0.11 0.51 0.20 0.00 -1.71 0.00 0.00 66.02 64.92 1n4c s SER 26 CO 0.29 -0.86 0.95 -0.55 1.20 0.00 0.00 173.24 174.28 1n4c s SER 27 N -2.69 -0.73 0.14 5.45 0.15 -1.26 -4.95 113.70 109.81 1n4c s SER 27 Ca 0.05 -0.81 -0.02 0.00 0.70 0.00 0.00 55.95 55.88 1n4c s SER 27 Cb -0.02 0.96 -0.08 0.00 -1.71 0.00 0.00 66.02 65.17 1n4c s SER 27 CO -0.07 -0.03 1.32 -0.03 1.20 0.00 0.00 173.24 175.62 1n4c h MET 28 N 4.70 0.31 0.00 5.44 4.05 -2.03 -3.39 114.93 124.01 1n4c h MET 28 Ca 0.02 -0.35 -0.02 0.00 -0.28 0.00 0.00 59.70 59.07 1n4c h MET 28 Cb 1.15 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1n4c h MET 28 CO -0.06 1.06 -0.60 -0.35 0.23 0.00 0.00 176.91 177.19 1n4c n PRO 29 N -3.69 0.46 0.00 0.39 -0.04 -1.26 -5.01 135.00 125.86 1n4c n PRO 29 Ca -0.06 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1n4c n PRO 29 Cb 0.84 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 1.59 -0.05 5.00 0.55 0.00 -1.26 -4.96 105.19 106.05 1n4c n GLY 30 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 1.49 3.66 -0.02 0.00 -1.26 -4.88 105.19 104.18 1n4c n GLY 31 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1n4c n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n4c s GLN 32 N 0.00 4.24 0.11 1.61 1.11 -1.26 -4.88 119.66 120.59 1n4c s GLN 32 Ca 0.00 1.38 0.27 0.00 0.01 0.00 0.00 55.36 57.01 1n4c s GLN 32 Cb 0.00 -3.66 1.00 0.00 -1.01 0.00 0.00 33.01 29.33 1n4c s GLN 32 CO 0.00 -0.66 1.83 0.09 0.01 0.00 0.00 175.29 176.56 1n4c n ASN 33 N 6.41 0.43 -4.59 5.90 3.02 -1.26 -4.66 115.26 120.51 1n4c n ASN 33 Ca 0.12 0.54 -0.42 0.00 -0.03 0.00 0.00 54.58 54.79 1n4c n ASN 33 Cb 0.46 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 1n4c n ASN 33 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1n4c s GLU 34 N -3.06 3.54 0.00 3.52 2.12 -1.26 -5.01 118.70 118.55 1n4c s GLU 34 Ca 0.12 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.85 1n4c s GLU 34 Cb 0.15 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.54 1n4c s GLU 34 CO 0.55 -1.63 0.00 2.89 -0.54 0.00 0.00 175.26 176.52 1n4c n ARG 35 N 8.30 0.27 -2.71 4.30 0.00 -1.26 -5.09 116.66 120.46 1n4c n ARG 35 Ca 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.96 1n4c n ARG 35 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 32.46 32.96 1n4c n ARG 35 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1n4c s GLY 36 N -2.65 -1.66 0.05 2.89 0.00 -1.26 -5.04 107.32 99.65 1n4c s GLY 36 Ca 0.00 1.22 -0.15 0.00 0.00 0.00 0.00 44.72 45.79 1n4c s GLY 36 CO 0.00 4.36 1.06 1.70 0.00 0.00 0.00 173.10 180.23 1n4c h LYS 37 N 5.02 0.58 0.00 2.90 3.64 -1.98 -3.47 116.57 123.26 1n4c h LYS 37 Ca -0.04 -0.87 0.00 0.00 -1.27 0.00 0.00 60.65 58.47 1n4c h LYS 37 Cb 1.22 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1n4c h LYS 37 CO -0.10 1.41 0.00 0.00 -2.27 0.00 0.00 179.45 178.49 1n4c n ALA 38 N -2.69 0.00 -1.80 5.00 0.00 -1.26 -5.11 120.51 114.65 1n4c n ALA 38 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1n4c n ALA 38 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.48 1n4c n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4c s ALA 39 N -1.77 3.60 0.00 0.00 0.00 -1.26 -4.99 121.76 117.34 1n4c s ALA 39 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1n4c s ALA 39 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1n4c s ALA 39 CO 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 175.76 174.89 1n4c n ALA 40 N 1.34 0.00 -1.79 0.00 0.00 -1.26 -4.90 120.51 113.90 1n4c n ALA 40 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 1n4c n ALA 40 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.05 7.17 -0.12 0.00 2.20 -1.26 -4.99 114.94 116.89 1n4c s ASN 41 Ca 0.00 1.84 -0.20 0.00 -0.94 0.00 0.00 52.86 53.57 1n4c s ASN 41 Cb 0.00 -2.57 -0.17 0.00 -2.00 0.00 0.00 41.25 36.50 1n4c s ASN 41 CO 0.00 -0.19 0.56 -0.07 -2.94 0.00 0.00 177.10 174.46 1n4c h LEU 42 N 2.82 -0.02 0.00 3.54 -0.00 -1.99 -3.45 115.31 116.22 1n4c h LEU 42 Ca -0.47 -0.64 0.00 0.00 -0.00 0.00 0.00 57.88 56.77 1n4c h LEU 42 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1n4c h LEU 42 CO 0.64 0.79 0.00 -0.62 -0.00 0.00 0.00 178.44 179.25 1n4c n GLU 43 N -4.69 0.00 0.00 1.13 1.02 -1.26 -4.90 120.64 111.94 1n4c n GLU 43 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1n4c n GLU 43 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 1n4c n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n4c n GLY 44 N 4.32 3.15 3.25 0.62 0.00 -1.26 -4.65 105.19 110.62 1n4c n GLY 44 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1n4c n GLY 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n4c n LYS 45 N 14.00 -1.03 -3.76 1.61 4.81 -1.26 -5.01 118.16 127.51 1n4c n LYS 45 Ca 0.00 -0.28 -0.13 0.00 -0.87 0.00 0.00 58.31 57.02 1n4c n LYS 45 Cb 0.00 -1.60 -0.14 0.00 0.02 0.00 0.00 35.03 33.31 1n4c n LYS 45 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1n4c s GLN 46 N -3.21 0.09 0.15 1.64 -1.52 -1.26 -5.10 119.66 110.44 1n4c s GLN 46 Ca 0.53 0.33 -0.34 0.00 -1.95 0.00 0.00 55.36 53.92 1n4c s GLN 46 Cb -0.11 -0.14 -0.15 0.00 -0.22 0.00 0.00 33.01 32.38 1n4c s GLN 46 CO 0.67 -0.14 1.33 1.17 -0.25 0.00 0.00 175.29 178.07 1n4c n LYS 47 N 4.01 1.42 0.00 2.91 4.81 -1.26 -4.79 118.16 125.26 1n4c n LYS 47 Ca -0.24 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1n4c n LYS 47 Cb 0.53 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1n4c n LYS 47 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n4c n ALA 48 N 2.23 0.35 0.00 3.14 0.00 -1.26 -4.88 120.51 120.09 1n4c n ALA 48 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1n4c n ALA 48 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 0.58 -1.31 0.00 0.00 -1.26 -3.03 120.51 115.49 1n4c n ALA 49 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1n4c n ALA 49 Cb 0.34 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 1n4c n ALA 49 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n4c n ASP 50 N -1.28 7.86 -2.70 0.00 5.68 -1.26 -4.29 116.55 120.57 1n4c n ASP 50 Ca 0.00 -2.62 -0.06 0.00 -0.50 0.00 0.00 54.79 51.61 1n4c n ASP 50 Cb 0.21 -1.50 0.07 0.00 -1.14 0.00 0.00 41.12 38.76 1n4c n ASP 50 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1n4c n PHE 51 N 3.10 -1.65 0.00 2.11 -0.00 -1.17 -4.99 117.46 114.86 1n4c n PHE 51 Ca 0.69 -1.17 0.00 0.00 -0.00 0.00 0.00 57.45 56.97 1n4c n PHE 51 Cb 0.40 1.30 0.00 0.00 -0.00 0.00 0.00 39.48 41.18 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 1.36 0.00 0.00 -4.13 4.07 -1.26 -4.89 120.64 115.79 1n4c n GLU 52 Ca 0.03 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.29 1n4c n GLU 52 Cb 0.69 0.00 0.89 0.00 -0.06 0.00 0.00 31.44 32.95 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 -0.26 0.00 0.11 4.31 9.92 -1.26 -3.55 116.55 125.82 1n4c n ASP 53 Ca 0.00 -0.77 0.12 0.00 -0.53 0.00 0.00 54.79 53.61 1n4c n ASP 53 Cb 0.00 -0.07 0.62 0.00 -0.64 0.00 0.00 41.12 41.02 1n4c n ASP 53 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1n4c h LEU 54 N 0.00 0.09 -2.26 0.64 5.85 -1.98 -0.52 115.31 117.14 1n4c h LEU 54 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1n4c h LEU 54 Cb 0.07 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1n4c h LEU 54 CO 0.00 0.06 0.02 0.18 -0.34 0.00 0.00 178.44 178.36 1n4c n LEU 55 N -4.48 3.59 -2.72 2.25 4.77 -1.23 -4.19 117.00 114.98 1n4c n LEU 55 Ca 0.03 -1.74 -0.04 0.00 -0.03 0.00 0.00 56.01 54.22 1n4c n LEU 55 Cb 0.28 -0.64 0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1n4c n LEU 55 CO 0.35 0.62 0.28 -0.24 -1.33 0.00 0.00 177.39 177.07 1n4c n SER 56 N 0.68 -2.61 -4.39 -1.43 2.88 -0.20 -5.06 113.62 103.49 1n4c n SER 56 Ca 0.01 -2.30 -0.20 0.00 -1.33 0.00 0.00 58.87 55.05 1n4c n SER 56 Cb 0.52 1.38 -0.12 0.00 -0.75 0.00 0.00 64.21 65.24 1n4c n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n4c n GLY 57 N 2.52 -0.19 2.75 0.46 0.00 -1.26 -4.74 105.19 104.72 1n4c n GLY 57 Ca 0.13 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 8.11 1.38 0.00 1.61 7.27 -1.26 -4.34 117.38 130.15 1n4c n GLN 58 Ca 0.42 -1.13 0.00 0.00 0.07 0.00 0.00 57.00 56.36 1n4c n GLN 58 Cb 0.46 -2.30 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 0.41 0.07 0.00 0.00 177.06 177.54 1n4c n GLY 59 N 3.85 1.50 3.30 1.69 0.00 -1.26 -4.83 105.19 109.45 1n4c n GLY 59 Ca 0.29 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.87 1n4c n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1n4c n PHE 60 N 0.00 0.91 0.00 1.61 7.35 -1.26 -4.46 117.46 121.61 1n4c n PHE 60 Ca 0.00 -1.13 0.00 0.00 -0.76 0.00 0.00 57.45 55.56 1n4c n PHE 60 Cb 0.00 -1.22 0.00 0.00 0.35 0.00 0.00 39.48 38.61 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 8.29 0.00 -4.53 -2.13 6.94 -1.26 -4.95 115.26 117.62 1n4c n ASN 61 Ca 0.48 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.63 1n4c n ASN 61 Cb 0.41 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.80 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 -1.28 2.82 -0.51 -2.53 0.00 -1.26 -4.84 121.76 114.17 1n4c s ALA 62 Ca 0.00 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.53 1n4c s ALA 62 Cb 0.00 -4.19 0.20 0.00 0.00 0.00 0.00 23.12 19.13 1n4c s ALA 62 CO 0.00 -3.20 0.76 1.58 0.00 0.00 0.00 175.76 174.91 1n4c n HIS 63 N 9.02 -3.69 -2.70 0.00 -0.00 -1.26 -5.05 115.22 111.54 1n4c n HIS 63 Ca 0.03 -1.48 -0.04 0.00 -0.00 0.00 0.00 57.72 56.22 1n4c n HIS 63 Cb 0.48 1.49 0.04 0.00 -0.00 0.00 0.00 29.99 32.00 1n4c n HIS 63 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1n4c n LYS 64 N 2.62 0.32 -2.76 1.57 2.85 -1.26 -5.07 118.16 116.42 1n4c n LYS 64 Ca 0.16 -1.21 -0.07 0.00 -1.05 0.00 0.00 58.31 56.14 1n4c n LYS 64 Cb 0.58 -0.59 0.03 0.00 -0.65 0.00 0.00 35.03 34.41 1n4c n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1n4c n ASP 65 N 2.27 -3.02 -4.55 -5.58 -0.08 -1.26 -5.08 116.55 99.25 1n4c n ASP 65 Ca 0.10 -3.17 -0.41 0.00 -1.51 0.00 0.00 54.79 49.80 1n4c n ASP 65 Cb 0.64 1.76 -0.03 0.00 2.34 0.00 0.00 41.12 45.83 1n4c n ASP 65 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1n4c s LYS 66 N 0.72 3.53 -0.05 -0.67 1.02 -1.26 -4.85 119.74 118.19 1n4c s LYS 66 Ca 0.31 -1.05 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 1n4c s LYS 66 Cb 0.16 -5.16 -0.12 0.00 -0.52 0.00 0.00 37.83 32.19 1n4c s LYS 66 CO -0.19 -2.16 2.86 1.17 -0.92 0.00 0.00 175.35 176.11 1n4c n LYS 67 N 8.76 1.64 -1.74 1.68 3.00 -1.26 -4.91 118.16 125.33 1n4c n LYS 67 Ca 0.28 -0.74 -0.29 0.00 -0.00 0.00 0.00 58.31 57.56 1n4c n LYS 67 Cb 0.51 -1.61 0.11 0.00 0.00 0.00 0.00 35.03 34.04 1n4c n LYS 67 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1n4c s GLY 68 N 1.78 1.58 0.86 3.14 0.00 -1.26 -5.05 107.32 108.38 1n4c s GLY 68 Ca 0.39 -0.60 -0.12 0.00 0.00 0.00 0.00 44.72 44.39 1n4c s GLY 68 CO -0.02 -0.07 1.12 2.56 0.00 0.00 0.00 173.10 176.69 1n4c s PRO 69 N -5.45 1.58 -0.41 2.90 0.04 -1.26 -4.95 135.00 127.45 1n4c s PRO 69 Ca 0.63 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1n4c s PRO 69 Cb -0.13 -1.87 0.37 0.00 0.04 0.00 0.00 34.50 32.91 1n4c s PRO 69 CO 0.51 -1.94 1.89 -2.13 0.04 0.00 0.00 177.00 175.37 1n4c n ARG 70 N -3.62 2.07 -3.71 4.56 0.63 -1.26 -4.71 116.66 110.61 1n4c n ARG 70 Ca 0.07 -2.22 -0.35 0.00 -0.92 0.00 0.00 57.85 54.43 1n4c n ARG 70 Cb 0.58 -1.87 -0.05 0.00 0.45 0.00 0.00 32.46 31.56 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 -2.98 5.25 -1.32 5.15 -4.23 -1.26 -4.92 115.64 111.32 1n4c s THR 71 Ca 0.43 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 1n4c s THR 71 Cb 0.35 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1n4c s THR 71 CO 0.02 0.34 0.55 0.00 -0.54 0.00 0.00 174.62 174.99 1n4c n ILE 72 N 1.06 0.49 0.35 2.99 3.06 -1.26 -0.70 119.36 125.35 1n4c n ILE 72 Ca -0.10 0.16 0.12 0.00 -2.50 0.00 0.00 62.75 60.43 1n4c n ILE 72 Cb 0.53 -1.16 0.19 0.00 0.54 0.00 0.00 39.64 39.73 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 1.57 0.81 0.00 1.51 0.00 -1.94 -3.12 119.26 118.09 1n4c h ALA 73 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1n4c h ALA 73 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1n4c h ALA 73 CO 0.00 0.00 -0.16 1.49 0.00 0.00 0.00 179.25 180.58 1n4c h GLU 74 N 0.00 0.00 -0.09 0.00 4.22 -1.19 -2.69 114.58 114.82 1n4c h GLU 74 Ca 0.00 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.45 1n4c h GLU 74 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1n4c h GLU 74 CO 0.00 0.39 0.01 1.98 -2.18 0.00 0.00 179.01 179.20 1n4c h MET 75 N -1.00 0.04 -0.87 1.92 4.05 -1.73 -2.33 114.93 115.01 1n4c h MET 75 Ca -0.03 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1n4c h MET 75 Cb 0.47 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.22 1n4c h MET 75 CO -0.02 0.03 0.56 0.00 0.23 0.00 0.00 176.91 177.71 1n4c h ARG 76 N 0.04 1.07 -0.48 0.39 2.47 -1.71 -0.27 114.38 115.90 1n4c h ARG 76 Ca 0.04 -0.06 0.14 0.00 -1.26 0.00 0.00 59.98 58.84 1n4c h ARG 76 Cb 0.04 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 1n4c h ARG 76 CO -0.07 0.71 0.54 -0.22 0.56 0.00 0.00 179.97 181.50 1n4c h LYS 77 N 1.11 0.00 0.12 0.04 3.64 -1.06 2.03 116.57 122.44 1n4c h LYS 77 Ca 0.34 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.53 1n4c h LYS 77 Cb -0.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1n4c h LYS 77 CO -0.11 0.00 -0.89 1.49 -2.27 0.00 0.00 179.45 177.67 1n4c h GLU 78 N 0.00 0.25 0.00 1.90 4.81 -0.94 -3.11 114.58 117.48 1n4c h GLU 78 Ca 0.23 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1n4c h GLU 78 Cb 1.30 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.84 1n4c h GLU 78 CO -0.00 1.20 -0.30 0.93 -0.73 0.00 0.00 179.01 180.11 1n4c h GLU 79 N -0.44 0.00 0.01 1.92 5.08 -0.75 -3.29 114.58 117.11 1n4c h GLU 79 Ca -0.17 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.95 1n4c h GLU 79 Cb 1.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.85 1n4c h GLU 79 CO 0.10 0.00 -0.98 0.52 -1.00 0.00 0.00 179.01 177.66 1n4c h MET 80 N 0.00 0.45 0.00 2.33 2.86 0.30 -3.01 114.93 117.87 1n4c h MET 80 Ca 0.00 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1n4c h MET 80 Cb 0.92 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1n4c h MET 80 CO 0.00 1.15 0.00 0.00 1.06 0.00 0.00 176.91 179.12 1n4c n ALA 81 N -2.56 2.20 1.11 6.32 0.00 -1.18 -2.69 120.51 123.71 1n4c n ALA 81 Ca -0.08 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.38 1n4c n ALA 81 Cb 0.85 -1.40 0.26 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.36 0.49 -2.70 0.00 4.81 -1.14 -4.65 118.16 113.62 1n4c n LYS 82 Ca 0.10 -0.31 -0.06 0.00 -0.87 0.00 0.00 58.31 57.17 1n4c n LYS 82 Cb 0.22 -1.49 0.08 0.00 0.02 0.00 0.00 35.03 33.86 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 -0.98 0.43 -3.46 1.64 2.13 -1.10 -5.09 120.64 114.21 1n4c n GLU 83 Ca 0.09 -1.14 -0.29 0.00 0.66 0.00 0.00 57.16 56.47 1n4c n GLU 83 Cb 0.35 -0.65 -0.12 0.00 0.27 0.00 0.00 31.44 31.29 1n4c n GLU 83 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1n4c s MET 84 N 0.27 0.57 0.58 5.31 -1.94 -1.15 -4.95 119.30 117.99 1n4c s MET 84 Ca 0.26 -1.37 -0.18 0.00 -1.71 0.00 0.00 55.69 52.69 1n4c s MET 84 Cb 0.24 -1.32 -0.10 0.00 2.01 0.00 0.00 34.83 35.66 1n4c s MET 84 CO -0.15 -1.22 0.35 -0.25 -0.01 0.00 0.00 175.02 173.75 1n4c n ASP 85 N 3.99 -1.75 -0.19 3.03 8.00 -1.26 -4.68 116.55 123.70 1n4c n ASP 85 Ca 0.13 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.32 1n4c n ASP 85 Cb 0.37 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 1n4c n ASP 85 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1n4c n PRO 86 N 0.28 0.02 -0.06 -0.24 -0.04 -1.26 -2.03 135.00 131.67 1n4c n PRO 86 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1n4c n PRO 86 Cb 0.48 -1.00 -0.13 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.12 0.70 0.11 0.54 1.02 -1.26 -4.17 120.64 117.46 1n4c n GLU 87 Ca 0.00 0.20 -0.02 0.00 -0.02 0.00 0.00 57.16 57.31 1n4c n GLU 87 Cb 0.00 -1.63 0.05 0.00 -0.02 0.00 0.00 31.44 29.84 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 -0.15 3.49 1.57 -1.72 -2.99 116.57 116.80 1n4c h LYS 88 Ca -0.48 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.34 1n4c h LYS 88 Cb 2.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.31 1n4c h LYS 88 CO 0.02 0.73 0.28 -0.07 -0.57 0.00 0.00 179.45 179.83 1n4c h LEU 89 N 0.00 0.00 -0.63 2.94 -0.00 -1.72 0.25 115.31 116.15 1n4c h LEU 89 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.73 1n4c h LEU 89 Cb 1.40 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.05 1n4c h LEU 89 CO 0.10 0.00 -0.56 0.50 -0.00 0.00 0.00 178.44 178.48 1n4c h LYS 90 N 0.00 0.37 -0.23 1.13 1.63 -1.71 -3.18 116.57 114.57 1n4c h LYS 90 Ca 0.07 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.59 1n4c h LYS 90 Cb 0.62 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1n4c h LYS 90 CO -0.00 0.83 -0.04 0.82 -3.45 0.00 0.00 179.45 177.61 1n4c h ILE 91 N 0.28 1.28 -1.04 2.00 2.04 -0.66 -2.72 117.51 118.69 1n4c h ILE 91 Ca 0.00 -1.00 0.27 0.00 1.00 0.00 0.00 64.86 65.12 1n4c h ILE 91 Cb 1.07 1.47 -0.09 0.00 -0.74 0.00 0.00 36.82 38.52 1n4c h ILE 91 CO 0.09 0.31 0.67 -0.07 0.00 0.00 0.00 178.15 179.16 1n4c h LEU 92 N 0.18 0.42 -0.31 1.44 3.38 -1.51 0.54 115.31 119.45 1n4c h LEU 92 Ca 0.06 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1n4c h LEU 92 Cb 0.48 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1n4c h LEU 92 CO 0.02 0.09 -0.68 -0.33 0.09 0.00 0.00 178.44 177.63 1n4c h GLU 93 N 0.38 0.00 -0.15 1.13 5.08 -1.55 -2.92 114.58 116.55 1n4c h GLU 93 Ca 0.58 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.73 1n4c h GLU 93 Cb 1.52 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.77 1n4c h GLU 93 CO -0.28 0.68 -0.76 2.35 -1.00 0.00 0.00 179.01 180.01 1n4c h TRP 94 N 0.00 0.99 -0.06 4.33 7.01 0.33 -3.13 115.95 125.42 1n4c h TRP 94 Ca -0.01 -0.43 -0.19 0.00 2.11 0.00 0.00 58.89 60.38 1n4c h TRP 94 Cb 1.38 -0.16 0.01 0.00 -2.10 0.00 0.00 29.16 28.30 1n4c h TRP 94 CO 0.00 1.25 -0.68 -0.84 -2.79 0.00 0.00 178.44 175.38 1n4c h ILE 95 N 0.51 1.35 0.00 2.65 3.07 -1.28 -3.09 117.51 120.72 1n4c h ILE 95 Ca -0.04 -2.00 0.00 0.00 1.55 0.00 0.00 64.86 64.36 1n4c h ILE 95 Cb 1.38 2.30 0.00 0.00 -0.27 0.00 0.00 36.82 40.23 1n4c h ILE 95 CO 0.15 0.61 0.00 -1.84 -1.05 0.00 0.00 178.15 176.02 1n4c n GLU 96 N -4.10 0.08 0.02 0.16 0.28 -1.10 -2.44 120.64 113.53 1n4c n GLU 96 Ca -0.09 0.25 -0.19 0.00 -0.16 0.00 0.00 57.16 56.97 1n4c n GLU 96 Cb 0.70 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 31.96 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 1.74 0.54 -5.00 -1.84 0.00 -1.48 -3.44 103.07 93.59 1n4c h GLY 97 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 47.33 46.31 1n4c h GLY 97 CO 0.00 0.87 -0.22 0.58 0.00 0.00 0.00 176.54 177.77 1n4c n LYS 98 N -4.10 0.22 0.00 4.80 2.85 -1.02 -4.99 118.16 115.92 1n4c n LYS 98 Ca -0.11 -1.13 0.00 0.00 -1.05 0.00 0.00 58.31 56.02 1n4c n LYS 98 Cb 0.76 -0.31 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 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 2.64 0.98 -1.41 -1.58 0.00 -1.08 -2.99 120.64 117.19 1n4c n GLU 99 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.33 1n4c n GLU 99 Cb 0.63 -1.35 0.04 0.00 0.00 0.00 0.00 31.44 30.76 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 0.16 0.15 -3.16 3.44 0.63 -1.26 -4.60 116.66 112.02 1n4c n ARG 100 Ca 0.00 -2.12 -0.21 0.00 -0.92 0.00 0.00 57.85 54.59 1n4c n ARG 100 Cb 0.32 -0.16 -0.04 0.00 0.45 0.00 0.00 32.46 33.02 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 0.34 1.61 -0.34 6.15 2.85 -1.16 -4.95 115.26 119.76 1n4c n ASN 101 Ca 0.07 -3.11 0.22 0.00 -0.11 0.00 0.00 54.58 51.65 1n4c n ASN 101 Cb 1.10 -0.61 0.46 0.00 1.24 0.00 0.00 39.78 41.97 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 1.70 0.39 -0.95 -1.44 -0.00 -1.86 0.61 117.51 115.96 1n4c h ILE 102 Ca 0.11 -0.14 0.05 0.00 -0.00 0.00 0.00 64.86 64.88 1n4c h ILE 102 Cb 0.84 -0.05 -0.06 0.00 -0.00 0.00 0.00 36.82 37.55 1n4c h ILE 102 CO 0.58 0.07 0.62 0.08 -0.00 0.00 0.00 178.15 179.50 1n4c h ARG 103 N 0.40 1.11 0.21 2.19 0.11 -1.96 -2.39 114.38 114.04 1n4c h ARG 103 Ca 0.70 -0.07 -0.30 0.00 0.10 0.00 0.00 59.98 60.41 1n4c h ARG 103 Cb 1.56 -0.25 0.03 0.00 1.11 0.00 0.00 29.97 32.42 1n4c h ARG 103 CO -0.53 0.73 -1.38 0.00 0.10 0.00 0.00 179.97 178.90 1n4c h ALA 104 N 1.47 -0.06 -0.50 0.08 0.00 -0.28 -3.03 119.26 116.94 1n4c h ALA 104 Ca 0.40 -0.90 0.09 0.00 0.00 0.00 0.00 54.91 54.50 1n4c h ALA 104 Cb 0.11 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1n4c h ALA 104 CO -0.14 0.69 0.08 -0.07 0.00 0.00 0.00 179.25 179.81 1n4c h LEU 105 N -0.02 -0.04 -0.65 0.00 3.38 -0.59 0.77 115.31 118.15 1n4c h LEU 105 Ca -0.25 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1n4c h LEU 105 Cb 2.00 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.89 1n4c h LEU 105 CO 0.21 0.00 -0.09 0.17 0.09 0.00 0.00 178.44 178.83 1n4c h LEU 106 N 0.21 0.00 -1.98 1.67 8.10 -1.57 -1.28 115.31 120.46 1n4c h LEU 106 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.24 1n4c h LEU 106 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.57 1n4c h LEU 106 CO -0.35 0.09 0.00 -0.24 -4.11 0.00 0.00 178.44 173.83 1n4c n SER 107 N -3.15 2.96 0.00 0.17 2.88 0.04 -4.07 113.62 112.45 1n4c n SER 107 Ca 0.02 -1.92 0.00 0.00 -1.33 0.00 0.00 58.87 55.64 1n4c n SER 107 Cb 0.46 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1n4c n SER 107 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1n4c n THR 108 N 1.17 0.24 0.18 2.46 -2.24 0.25 -4.61 114.28 111.74 1n4c n THR 108 Ca 0.18 -0.29 0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1n4c n THR 108 Cb 0.53 1.06 0.31 0.00 -2.10 0.00 0.00 70.33 70.12 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 -0.06 -0.78 -1.53 -1.38 -3.08 114.93 108.09 1n4c h MET 109 Ca 0.00 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.28 1n4c h MET 109 Cb 0.70 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.75 1n4c h MET 109 CO 0.00 0.38 0.06 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 0.14 115.15 116.89 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 0.95 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.93 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 -4.01 0.00 -2.23 6.12 -2.24 -1.17 -3.46 114.28 107.29 1n4c n THR 111 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1n4c n THR 111 Cb 0.16 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.31 2.28 0.24 0.03 -5.04 118.33 112.79 1n4c n VAL 112 Ca 0.09 -0.46 -0.26 0.00 -2.04 0.00 0.00 64.34 61.67 1n4c n VAL 112 Cb 0.04 0.68 0.14 0.00 -1.47 0.00 0.00 33.84 33.23 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 2.86 0.02 1.34 1.43 -1.16 -4.94 118.68 118.24 1n4c s LEU 113 Ca 0.16 -0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 52.94 1n4c s LEU 113 Cb 0.18 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 1n4c s LEU 113 CO -0.08 -2.21 0.68 -1.66 0.23 0.00 0.00 176.35 173.31 1n4c s TRP 114 N -3.45 3.71 -0.23 0.29 -2.14 -1.26 -4.97 118.94 110.90 1n4c s TRP 114 Ca 0.69 1.33 -0.33 0.00 2.66 0.00 0.00 56.10 60.45 1n4c s TRP 114 Cb -0.05 -2.71 -0.10 0.00 -3.10 0.00 0.00 33.47 27.51 1n4c s TRP 114 CO 0.48 0.32 2.08 0.00 -2.66 0.00 0.00 176.95 177.16 1n4c n ALA 115 N 2.75 1.13 0.00 2.67 0.00 -1.26 -2.96 120.51 122.84 1n4c n ALA 115 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1n4c n ALA 115 Cb 0.51 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 5.54 2.88 3.62 0.00 0.00 -1.26 -5.09 105.19 110.88 1n4c n GLY 116 Ca 0.32 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 3.45 -0.01 1.61 2.56 -1.16 -4.78 118.70 120.37 1n4c s GLU 117 Ca 0.00 2.17 0.03 0.00 0.00 0.00 0.00 54.97 57.16 1n4c s GLU 117 Cb 0.00 -4.29 0.06 0.00 2.00 0.00 0.00 34.13 31.90 1n4c s GLU 117 CO 0.00 -1.74 1.04 0.25 -0.56 0.00 0.00 175.26 174.26 1n4c n THR 118 N 7.05 1.10 -0.04 -1.70 -2.24 -1.26 -4.61 114.28 112.57 1n4c n THR 118 Ca 0.26 -1.13 -0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1n4c n THR 118 Cb 0.44 0.42 -0.15 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 -0.49 0.67 -1.73 -0.78 4.76 -1.26 -4.93 118.16 114.40 1n4c n LYS 119 Ca 0.03 -0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 1n4c n LYS 119 Cb 0.31 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.95 2.69 -0.55 2.13 -0.11 -1.26 -4.95 118.94 113.93 1n4c s TRP 120 Ca -0.08 0.24 -0.07 0.00 1.22 0.00 0.00 56.10 57.41 1n4c s TRP 120 Cb 0.09 -4.15 0.14 0.00 -1.50 0.00 0.00 33.47 28.06 1n4c s TRP 120 CO 0.86 -4.46 0.40 0.15 -4.62 0.00 0.00 176.95 169.28 1n4c s LYS 121 N 1.63 2.57 0.11 5.86 1.02 -1.26 -5.06 119.74 124.61 1n4c s LYS 121 Ca 0.77 -2.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.38 1n4c s LYS 121 Cb -0.49 -3.88 -0.16 0.00 -0.52 0.00 0.00 37.83 32.78 1n4c s LYS 121 CO 0.33 -1.18 0.64 -2.30 -0.92 0.00 0.00 175.35 171.92 1n4c n PRO 122 N 4.33 0.00 -3.08 -1.68 -0.02 -1.26 -4.88 135.00 128.41 1n4c n PRO 122 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 1n4c n PRO 122 Cb 0.41 -1.05 -0.05 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.57 5.01 -0.00 -1.45 1.01 -1.26 -5.00 120.40 118.13 1n4c s VAL 123 Ca 0.66 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 1n4c s VAL 123 Cb -0.94 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 31.39 1n4c s VAL 123 CO 0.50 0.12 1.70 -0.83 0.00 0.00 0.00 175.10 176.59 1n4c s GLY 124 N 1.12 1.54 0.63 4.51 0.00 -1.26 -4.79 107.32 109.06 1n4c s GLY 124 Ca 0.31 1.07 0.17 0.00 0.00 0.00 0.00 44.72 46.28 1n4c s GLY 124 CO 0.12 3.06 1.27 -0.33 0.00 0.00 0.00 173.10 177.21 1n4c h MET 125 N 9.34 0.00 0.00 2.90 2.86 -1.95 2.76 114.93 130.84 1n4c h MET 125 Ca -0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1n4c h MET 125 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1n4c h MET 125 CO 0.94 0.00 -0.22 0.00 1.06 0.00 0.00 176.91 178.69 1n4c n ALA 126 N -1.96 2.64 -0.52 6.32 0.00 -1.26 -3.63 120.51 122.09 1n4c n ALA 126 Ca 0.12 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1n4c n ALA 126 Cb 1.22 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.89 3.91 -1.28 0.00 9.92 0.92 -4.11 116.55 124.02 1n4c n ASP 127 Ca 0.05 -2.97 0.04 0.00 -0.53 0.00 0.00 54.79 51.38 1n4c n ASP 127 Cb 0.39 -0.70 0.04 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 -0.24 1.07 -0.23 0.64 -0.00 -1.24 -4.76 117.00 112.25 1n4c n LEU 128 Ca 0.34 -2.09 0.06 0.00 -0.00 0.00 0.00 56.01 54.32 1n4c n LEU 128 Cb 1.19 -0.06 0.25 0.00 -0.00 0.00 0.00 43.42 44.81 1n4c n LEU 128 CO 0.36 0.56 0.67 1.33 -0.00 0.00 0.00 177.39 180.32 1n4c n VAL 129 N 0.26 0.14 -4.10 1.47 0.24 -1.26 -4.80 118.33 110.28 1n4c n VAL 129 Ca 0.07 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 62.07 1n4c n VAL 129 Cb 1.05 0.03 -0.11 0.00 -1.47 0.00 0.00 33.84 33.34 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 -1.86 0.70 0.27 3.34 -4.23 -1.26 -5.03 115.64 107.57 1n4c s THR 130 Ca 0.18 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1n4c s THR 130 Cb 0.09 -0.80 0.07 0.00 1.34 0.00 0.00 72.50 73.21 1n4c s THR 130 CO 0.14 -0.38 1.73 1.55 -0.54 0.00 0.00 174.62 177.12 1n4c h PRO 131 N 4.33 0.55 -0.33 3.99 0.13 -1.98 -2.35 132.00 136.34 1n4c h PRO 131 Ca -0.37 -0.20 -0.05 0.00 -0.87 0.00 0.00 66.00 64.52 1n4c h PRO 131 Cb 1.20 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1n4c h PRO 131 CO 0.42 0.72 -0.00 1.49 -0.23 0.00 0.00 178.00 180.41 1n4c h GLU 132 N 0.49 0.52 -0.22 0.86 4.22 -1.98 0.48 114.58 118.95 1n4c h GLU 132 Ca 0.08 -0.11 -0.11 0.00 0.08 0.00 0.00 59.36 59.30 1n4c h GLU 132 Cb 0.63 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1n4c h GLU 132 CO 0.04 0.55 -0.34 1.96 -2.18 0.00 0.00 179.01 179.04 1n4c h GLN 133 N 0.50 0.48 0.04 1.92 1.08 -1.76 -1.19 115.11 116.17 1n4c h GLN 133 Ca 0.11 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1n4c h GLN 133 Cb 0.33 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1n4c h GLN 133 CO 0.01 0.76 -0.02 0.28 -0.95 0.00 0.00 178.83 178.91 1n4c h VAL 134 N 0.41 0.33 -0.53 -0.54 2.07 -0.87 -3.17 116.25 113.94 1n4c h VAL 134 Ca 0.05 -1.19 0.10 0.00 0.82 0.00 0.00 66.70 66.47 1n4c h VAL 134 Cb 0.79 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 1n4c h VAL 134 CO 0.06 0.11 0.09 0.50 0.02 0.00 0.00 177.57 178.35 1n4c h LYS 135 N -1.01 0.22 -0.88 1.57 3.64 -0.16 0.34 116.57 120.28 1n4c h LYS 135 Ca -0.01 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1n4c h LYS 135 Cb 0.22 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.91 1n4c h LYS 135 CO 0.01 0.14 0.51 -0.22 -2.27 0.00 0.00 179.45 177.62 1n4c h LYS 136 N 0.22 0.79 0.07 1.90 3.64 -1.35 -1.97 116.57 119.87 1n4c h LYS 136 Ca 0.27 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.35 1n4c h LYS 136 Cb 0.39 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1n4c h LYS 136 CO -0.37 0.52 -1.19 0.28 -2.27 0.00 0.00 179.45 176.43 1n4c h VAL 137 N 0.82 1.53 -0.88 2.00 2.07 -1.15 -3.21 116.25 117.42 1n4c h VAL 137 Ca 0.44 -3.17 0.26 0.00 0.82 0.00 0.00 66.70 65.04 1n4c h VAL 137 Cb 0.47 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 1n4c h VAL 137 CO -0.28 0.90 0.68 0.22 0.02 0.00 0.00 177.57 179.12 1n4c h TYR 138 N 0.04 0.00 0.48 1.57 3.20 0.40 0.30 116.97 122.96 1n4c h TYR 138 Ca -0.10 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 1n4c h TYR 138 Cb 1.90 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.17 1n4c h TYR 138 CO 0.04 0.00 -0.23 -0.09 -1.64 0.00 0.00 178.16 176.23 1n4c h ARG 139 N 0.00 -0.62 -0.58 1.82 2.43 -1.53 -2.69 114.38 113.21 1n4c h ARG 139 Ca 0.42 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.62 1n4c h ARG 139 Cb 1.77 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 31.43 1n4c h ARG 139 CO -0.00 -0.37 0.33 -0.22 -1.51 0.00 0.00 179.97 178.19 1n4c h LYS 140 N -1.12 0.81 -0.94 0.20 3.64 -1.31 -1.65 116.57 116.20 1n4c h LYS 140 Ca -0.07 -0.09 0.20 0.00 -1.27 0.00 0.00 60.65 59.43 1n4c h LYS 140 Cb 0.54 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 1n4c h LYS 140 CO 0.11 0.61 0.61 0.00 -2.27 0.00 0.00 179.45 178.51 1n4c h ALA 141 N 1.15 2.07 0.00 5.00 0.00 -0.53 0.67 119.26 127.63 1n4c h ALA 141 Ca 0.21 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1n4c h ALA 141 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1n4c h ALA 141 CO -0.03 -0.38 -0.60 0.28 0.00 0.00 0.00 179.25 178.52 1n4c h VAL 142 N 0.51 1.42 0.00 0.00 2.07 -0.96 -2.77 116.25 116.52 1n4c h VAL 142 Ca 0.50 -2.06 -0.08 0.00 0.82 0.00 0.00 66.70 65.89 1n4c h VAL 142 Cb 1.11 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1n4c h VAL 142 CO -0.23 0.59 -0.37 -0.07 0.02 0.00 0.00 177.57 177.50 1n4c h LEU 143 N 0.00 0.00 -1.62 2.57 3.38 0.80 -2.38 115.31 118.06 1n4c h LEU 143 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1n4c h LEU 143 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1n4c h LEU 143 CO 0.08 0.37 -0.12 0.58 0.09 0.00 0.00 178.44 179.44 1n4c h VAL 144 N 0.00 1.12 -0.22 1.22 2.07 -1.03 -2.80 116.25 116.62 1n4c h VAL 144 Ca -0.00 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 1n4c h VAL 144 Cb 0.70 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1n4c h VAL 144 CO 0.05 0.17 -0.10 1.33 0.02 0.00 0.00 177.57 179.03 1n4c n VAL 145 N -4.35 2.32 -1.88 2.57 0.24 -0.98 -4.96 118.33 111.30 1n4c n VAL 145 Ca -0.02 -2.50 -0.42 0.00 -2.04 0.00 0.00 64.34 59.36 1n4c n VAL 145 Cb 0.22 -0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 32.28 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 -3.07 2.68 0.25 6.34 5.04 -0.93 -4.84 115.29 120.75 1n4c s HIS 146 Ca 0.41 0.40 0.01 0.00 -1.54 0.00 0.00 55.06 54.34 1n4c s HIS 146 Cb 0.36 -3.99 0.61 0.00 0.04 0.00 0.00 32.58 29.60 1n4c s HIS 146 CO 0.02 -3.86 1.26 -2.30 -2.34 0.00 0.00 174.74 167.52 1n4c n PRO 147 N 4.83 -0.06 -0.32 2.88 -0.02 -1.26 -0.34 135.00 140.71 1n4c n PRO 147 Ca 0.15 1.21 0.19 0.00 -2.02 0.00 0.00 63.50 63.03 1n4c n PRO 147 Cb 0.39 -1.92 0.39 0.00 -0.02 0.00 0.00 33.50 32.34 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 0.10 0.11 2.55 3.58 -1.98 1.20 116.42 121.99 1n4c h ASP 148 Ca 0.49 0.22 0.00 0.00 0.42 0.00 0.00 57.03 58.16 1n4c h ASP 148 Cb 1.00 0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1n4c h ASP 148 CO -0.76 -0.24 -0.09 0.29 -2.88 0.00 0.00 179.24 175.56 1n4c n LYS 149 N -5.24 1.23 -1.40 0.28 4.76 0.54 -3.81 118.16 114.53 1n4c n LYS 149 Ca 0.27 -0.65 -0.04 0.00 -2.87 0.00 0.00 58.31 55.02 1n4c n LYS 149 Cb 0.88 -1.49 0.11 0.00 -1.84 0.00 0.00 35.03 32.69 1n4c n LYS 149 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n4c n ALA 150 N -0.32 3.76 -2.55 7.82 0.00 0.40 -4.85 120.51 124.77 1n4c n ALA 150 Ca 0.17 -3.25 -0.42 0.00 0.00 0.00 0.00 53.44 49.94 1n4c n ALA 150 Cb 0.32 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.25 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 -3.22 4.95 0.00 0.00 2.01 -0.14 -4.15 115.64 115.10 1n4c s THR 151 Ca 0.40 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1n4c s THR 151 Cb 0.38 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1n4c s THR 151 CO -0.05 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.19 1n4c n GLY 152 N 4.79 0.00 3.75 4.40 0.00 -1.26 -4.91 105.19 111.96 1n4c n GLY 152 Ca -0.03 0.00 -0.40 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 -1.62 4.83 0.39 1.61 -1.52 -1.26 -4.88 119.66 117.21 1n4c s GLN 153 Ca 0.00 1.51 0.31 0.00 -1.95 0.00 0.00 55.36 55.23 1n4c s GLN 153 Cb 0.00 -3.26 1.28 0.00 -0.22 0.00 0.00 33.01 30.82 1n4c s GLN 153 CO 0.00 0.48 1.27 -2.30 -0.25 0.00 0.00 175.29 174.50 1n4c n PRO 154 N 1.43 -0.02 -1.04 2.91 -0.02 -1.26 0.29 135.00 137.29 1n4c n PRO 154 Ca -0.02 0.98 -0.10 0.00 -2.02 0.00 0.00 63.50 62.34 1n4c n PRO 154 Cb 0.47 -2.02 0.27 0.00 -0.02 0.00 0.00 33.50 32.19 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 -4.08 2.53 -0.37 6.00 0.18 -1.26 -4.54 117.16 115.62 1n4c n TYR 155 Ca 0.34 -1.31 0.03 0.00 1.88 0.00 0.00 57.90 58.83 1n4c n TYR 155 Cb 1.40 -0.74 0.18 0.00 -0.38 0.00 0.00 39.34 39.80 1n4c n TYR 155 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1n4c h GLU 156 N 2.19 1.13 -0.60 -3.48 4.81 0.40 -2.06 114.58 116.97 1n4c h GLU 156 Ca 0.35 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 1n4c h GLU 156 Cb 2.42 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 31.52 1n4c h GLU 156 CO 0.81 0.75 0.07 0.37 -0.73 0.00 0.00 179.01 180.28 1n4c h GLN 157 N 1.17 1.00 -0.63 1.92 5.75 -1.80 -2.99 115.11 119.53 1n4c h GLN 157 Ca 0.44 -0.28 0.13 0.00 -0.15 0.00 0.00 58.65 58.79 1n4c h GLN 157 Cb 0.19 -0.11 -0.11 0.00 1.07 0.00 0.00 27.48 28.52 1n4c h GLN 157 CO -0.18 0.96 -0.01 1.88 -2.65 0.00 0.00 178.83 178.83 1n4c h TYR 158 N 0.90 -0.06 -0.04 3.99 -1.99 -1.71 -1.88 116.97 116.17 1n4c h TYR 158 Ca 0.18 0.05 0.03 0.00 2.00 0.00 0.00 58.73 60.99 1n4c h TYR 158 Cb 0.46 0.13 -0.06 0.00 2.00 0.00 0.00 36.73 39.25 1n4c h TYR 158 CO 0.03 -0.18 -0.42 0.00 -0.00 0.00 0.00 178.16 177.60 1n4c h ALA 159 N 1.58 -0.64 -0.46 3.88 0.00 -1.49 -0.66 119.26 121.48 1n4c h ALA 159 Ca 0.33 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.31 1n4c h ALA 159 Cb 0.54 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1n4c h ALA 159 CO -0.55 -0.94 0.32 0.87 0.00 0.00 0.00 179.25 178.95 1n4c h LYS 160 N -0.54 0.14 0.12 0.00 1.57 -1.43 1.06 116.57 117.48 1n4c h LYS 160 Ca 0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1n4c h LYS 160 Cb 0.64 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1n4c h LYS 160 CO -0.34 0.09 -0.06 0.52 -0.57 0.00 0.00 179.45 179.09 1n4c h MET 161 N 0.14 -0.15 0.00 3.15 2.86 -0.65 -3.25 114.93 117.03 1n4c h MET 161 Ca 0.21 0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.74 1n4c h MET 161 Cb 0.66 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1n4c h MET 161 CO -0.03 0.34 -0.60 -0.84 1.06 0.00 0.00 176.91 176.83 1n4c h ILE 162 N -0.84 1.04 -0.80 -1.22 3.07 -0.92 -3.08 117.51 114.76 1n4c h ILE 162 Ca -0.02 -2.47 0.00 0.00 1.55 0.00 0.00 64.86 63.93 1n4c h ILE 162 Cb 0.56 2.51 -0.04 0.00 -0.27 0.00 0.00 36.82 39.58 1n4c h ILE 162 CO 0.03 0.59 0.51 0.15 -1.05 0.00 0.00 178.15 178.38 1n4c h PHE 163 N 0.00 1.03 0.12 0.16 3.04 0.11 -1.74 116.94 119.66 1n4c h PHE 163 Ca -0.01 0.01 -0.16 0.00 3.98 0.00 0.00 57.97 61.79 1n4c h PHE 163 Cb 1.46 -0.34 0.02 0.00 2.56 0.00 0.00 35.95 39.65 1n4c h PHE 163 CO 0.00 0.67 -0.71 0.52 -2.02 0.00 0.00 178.31 176.77 1n4c h MET 164 N 1.09 0.26 -0.83 1.11 2.86 -1.64 -3.10 114.93 114.68 1n4c h MET 164 Ca 0.29 -0.45 0.13 0.00 -2.06 0.00 0.00 59.70 57.61 1n4c h MET 164 Cb -0.08 0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 1n4c h MET 164 CO -0.06 1.21 0.54 0.93 1.06 0.00 0.00 176.91 180.60 1n4c h GLU 165 N -0.45 0.62 -0.39 1.72 3.07 -1.48 1.49 114.58 119.16 1n4c h GLU 165 Ca -0.12 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.60 1n4c h GLU 165 Cb 1.56 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.32 1n4c h GLU 165 CO 0.13 0.41 -0.13 -0.07 -1.40 0.00 0.00 179.01 177.95 1n4c h LEU 166 N 0.64 0.79 0.00 1.33 -0.00 -1.39 -2.92 115.31 113.77 1n4c h LEU 166 Ca 0.41 -0.38 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1n4c h LEU 166 Cb 0.68 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1n4c h LEU 166 CO -0.17 0.99 -0.32 -3.20 -0.00 0.00 0.00 178.44 175.75 1n4c n ASN 167 N -4.31 0.37 -0.03 -0.43 2.85 -0.04 -3.30 115.26 110.36 1n4c n ASN 167 Ca -0.01 0.09 -0.04 0.00 -0.11 0.00 0.00 54.58 54.50 1n4c n ASN 167 Cb 0.38 -0.07 -0.04 0.00 1.24 0.00 0.00 39.78 41.30 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 -0.04 0.14 1.20 1.82 0.22 -3.24 116.42 116.52 1n4c h ASP 168 Ca 0.00 -0.25 -0.02 0.00 -0.39 0.00 0.00 57.03 56.37 1n4c h ASP 168 Cb 0.54 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.56 1n4c h ASP 168 CO 0.00 0.58 -0.11 0.00 -1.61 0.00 0.00 179.24 178.09 1n4c h ALA 169 N -0.74 1.71 -0.87 -0.78 0.00 -1.68 -1.59 119.26 115.30 1n4c h ALA 169 Ca -0.00 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1n4c h ALA 169 Cb 0.28 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1n4c h ALA 169 CO 0.01 0.14 0.56 2.35 0.00 0.00 0.00 179.25 182.31 1n4c h TRP 170 N 0.00 0.88 -0.75 0.00 2.91 -1.63 0.84 115.95 118.20 1n4c h TRP 170 Ca -0.00 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.01 1n4c h TRP 170 Cb 0.22 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.55 1n4c h TRP 170 CO 0.00 0.39 0.35 0.77 -1.03 0.00 0.00 178.44 178.91 1n4c h SER 171 N 0.80 0.98 1.17 2.65 0.02 -1.31 -2.03 113.55 115.83 1n4c h SER 171 Ca 0.41 -0.12 -0.16 0.00 -0.84 0.00 0.00 61.79 61.08 1n4c h SER 171 Cb 0.50 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1n4c h SER 171 CO -0.18 0.84 -0.77 -0.08 -1.14 0.00 0.00 176.83 175.50 1n4c h GLU 172 N 1.07 0.00 -0.55 3.45 4.57 -0.74 -3.19 114.58 119.19 1n4c h GLU 172 Ca 0.26 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.58 1n4c h GLU 172 Cb 0.13 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1n4c h GLU 172 CO -0.03 0.77 0.39 0.35 -1.18 0.00 0.00 179.01 179.30 1n4c h PHE 173 N 0.00 0.14 -0.56 0.92 3.57 0.13 1.70 116.94 122.83 1n4c h PHE 173 Ca -0.01 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1n4c h PHE 173 Cb 1.56 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.23 1n4c h PHE 173 CO 0.00 0.06 0.06 0.93 -2.23 0.00 0.00 178.31 177.13 1n4c h GLU 174 N 0.12 0.96 0.14 1.11 3.07 -1.51 2.25 114.58 120.73 1n4c h GLU 174 Ca 0.26 -0.28 -0.33 0.00 -0.50 0.00 0.00 59.36 58.52 1n4c h GLU 174 Cb 0.88 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1n4c h GLU 174 CO -0.03 0.93 -1.72 -0.97 -1.40 0.00 0.00 179.01 175.82 1n4c h ASN 175 N 0.85 0.47 1.21 1.42 -0.73 -1.00 -3.14 115.58 114.66 1n4c h ASN 175 Ca 0.17 -0.91 -0.09 0.00 1.87 0.00 0.00 56.30 57.34 1n4c h ASN 175 Cb 0.46 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 1n4c h ASN 175 CO 0.02 1.76 -0.82 -0.61 -0.37 0.00 0.00 177.43 177.40 1n4c h GLN 176 N -0.06 0.00 0.14 6.67 -0.00 0.24 -3.37 115.11 118.73 1n4c h GLN 176 Ca -0.36 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 57.93 1n4c h GLN 176 Cb 1.96 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.43 1n4c h GLN 176 CO 0.10 0.27 -1.91 0.78 0.00 0.00 0.00 178.83 178.07 1n4c h GLY 177 N 3.73 0.33 -4.49 2.39 0.00 0.37 -3.37 103.07 102.03 1n4c h GLY 177 Ca -0.05 -0.85 -0.04 0.00 0.00 0.00 0.00 47.33 46.39 1n4c h GLY 177 CO 0.04 0.74 0.19 -1.06 0.00 0.00 0.00 176.54 176.46 1n4c n GLN 178 N -3.49 0.48 -3.66 4.80 1.13 -1.12 -4.65 117.38 110.88 1n4c n GLN 178 Ca -0.29 -0.21 -0.14 0.00 -1.94 0.00 0.00 57.00 54.43 1n4c n GLN 178 Cb 1.06 -1.57 -0.07 0.00 0.11 0.00 0.00 30.24 29.77 1n4c n GLN 178 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1n4c s LYS 179 N 2.21 0.90 -0.90 -1.09 1.02 -1.26 -5.02 119.74 115.60 1n4c s LYS 179 Ca 0.14 -0.25 -0.32 0.00 0.02 0.00 0.00 55.97 55.56 1n4c s LYS 179 Cb 0.07 0.40 -0.21 0.00 -0.52 0.00 0.00 37.83 37.58 1n4c s LYS 179 CO 0.00 -0.30 2.61 -2.30 -0.92 0.00 0.00 175.35 174.45 1n4c n PRO 180 N 0.68 0.08 -3.20 -1.68 -0.02 -1.26 -4.85 135.00 124.75 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 -1.64 -0.04 0.00 -0.02 0.00 0.00 33.50 32.39 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 10.50 4.97 0.00 2.45 0.00 -1.26 -5.14 117.00 128.51 1n4c n LEU 181 Ca 0.63 -5.37 0.00 0.00 0.00 0.00 0.00 56.01 51.26 1n4c n LEU 181 Cb 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 43.42 42.57 1n4c n LEU 181 CO 0.92 1.94 0.00 0.00 0.00 0.00 0.00 177.39 180.25