#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k56 n THR 23 N 0.00 1.23 -4.38 9.51 -2.24 -1.14 -4.89 114.28 112.37 1k56 n THR 23 Ca 0.00 -0.44 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 1k56 n THR 23 Cb 0.00 -0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 67.63 1k56 n THR 23 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k56 s GLU 24 N -2.19 3.63 -0.49 -0.78 2.12 -1.26 -2.17 118.70 117.56 1k56 s GLU 24 Ca 0.61 -0.50 -0.04 0.00 0.36 0.00 0.00 54.97 55.40 1k56 s GLU 24 Cb -0.38 -2.92 0.13 0.00 0.26 0.00 0.00 34.13 31.22 1k56 s GLU 24 CO 0.62 0.29 0.31 1.21 -0.54 0.00 0.00 175.26 177.14 1k56 s ASN 25 N 0.25 5.32 0.51 -1.70 3.84 0.10 -4.92 114.94 118.34 1k56 s ASN 25 Ca -0.02 -2.30 0.28 0.00 0.21 0.00 0.00 52.86 51.03 1k56 s ASN 25 Cb -0.14 -1.86 1.32 0.00 -0.55 0.00 0.00 41.25 40.02 1k56 s ASN 25 CO 0.03 -0.50 1.99 0.71 -2.79 0.00 0.00 177.10 176.54 1k56 h THR 26 N 5.96 0.44 0.00 -5.21 1.35 -1.85 -2.17 112.91 111.42 1k56 h THR 26 Ca -0.10 -0.70 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 1k56 h THR 26 Cb 1.02 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1k56 h THR 26 CO 0.72 0.13 -0.12 0.77 -0.25 0.00 0.00 175.52 176.78 1k56 h SER 27 N 0.00 0.00 0.76 5.36 4.64 -1.96 -1.89 113.55 120.47 1k56 h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k56 h SER 27 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1k56 h SER 27 CO 0.02 0.12 0.00 0.79 -0.87 0.00 0.00 176.83 176.88 1k56 n TRP 28 N -3.84 0.66 0.23 4.77 8.01 -0.82 -2.29 117.44 124.17 1k56 n TRP 28 Ca -0.02 0.25 0.11 0.00 -1.31 0.00 0.00 57.50 56.52 1k56 n TRP 28 Cb 0.21 -0.90 0.53 0.00 -2.01 0.00 0.00 31.31 29.14 1k56 n TRP 28 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1k56 h ASN 29 N 0.00 0.00 -0.85 -0.99 2.35 -1.50 -2.74 115.58 111.85 1k56 h ASN 29 Ca 0.00 0.00 0.20 0.00 -0.55 0.00 0.00 56.30 55.95 1k56 h ASN 29 Cb 0.38 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.63 1k56 h ASN 29 CO 0.00 0.20 0.34 0.11 -1.65 0.00 0.00 177.43 176.43 1k56 h LYS 30 N 0.00 0.38 0.00 0.81 1.57 -1.63 0.37 116.57 118.06 1k56 h LYS 30 Ca -0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1k56 h LYS 30 Cb 0.65 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1k56 h LYS 30 CO 0.03 0.25 -0.09 0.93 -0.57 0.00 0.00 179.45 179.99 1k56 h GLU 31 N 0.39 0.00 0.00 3.15 4.39 -1.71 -2.22 114.58 118.58 1k56 h GLU 31 Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.21 1k56 h GLU 31 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1k56 h GLU 31 CO -0.51 0.09 -1.06 1.19 -1.16 0.00 0.00 179.01 177.56 1k56 n PHE 32 N -3.54 0.35 -0.08 4.33 3.01 0.04 -4.51 117.46 117.05 1k56 n PHE 32 Ca -0.02 0.10 -0.14 0.00 1.01 0.00 0.00 57.45 58.40 1k56 n PHE 32 Cb 0.23 -0.52 -0.05 0.00 -0.01 0.00 0.00 39.48 39.13 1k56 n PHE 32 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1k56 h SER 33 N 0.00 0.83 -0.24 4.37 4.64 -0.69 -1.88 113.55 120.58 1k56 h SER 33 Ca 0.00 -0.51 0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1k56 h SER 33 Cb 0.78 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1k56 h SER 33 CO 0.00 1.18 0.13 0.00 -0.87 0.00 0.00 176.83 177.27 1k56 h ALA 34 N 0.67 0.29 -0.21 5.18 0.00 -1.79 -2.43 119.26 120.96 1k56 h ALA 34 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k56 h ALA 34 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1k56 h ALA 34 CO 0.09 -0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.46 1k56 n GLU 35 N -4.97 1.66 -3.64 0.00 -0.58 -1.24 -4.93 120.64 106.93 1k56 n GLU 35 Ca -0.02 -1.00 -0.27 0.00 -0.42 0.00 0.00 57.16 55.44 1k56 n GLU 35 Cb 0.05 -1.32 0.02 0.00 -0.57 0.00 0.00 31.44 29.63 1k56 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k56 n ALA 36 N 0.26 -1.18 -2.71 0.62 0.00 -0.92 -4.94 120.51 111.64 1k56 n ALA 36 Ca 0.13 0.20 -0.40 0.00 0.00 0.00 0.00 53.44 53.37 1k56 n ALA 36 Cb 0.28 -4.08 -0.04 0.00 0.00 0.00 0.00 19.45 15.61 1k56 n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k56 s VAL 37 N -3.20 4.98 -0.42 0.00 1.01 -0.73 -5.02 120.40 117.03 1k56 s VAL 37 Ca 0.55 1.59 -0.17 0.00 0.00 0.00 0.00 61.98 63.95 1k56 s VAL 37 Cb -0.27 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.02 1k56 s VAL 37 CO 0.68 0.19 0.40 0.20 0.00 0.00 0.00 175.10 176.57 1k56 s ASN 38 N 0.91 6.17 0.18 3.32 0.02 -1.26 -4.82 114.94 119.47 1k56 s ASN 38 Ca 0.40 -0.73 -0.11 0.00 -1.02 0.00 0.00 52.86 51.41 1k56 s ASN 38 Cb -0.18 -2.21 0.04 0.00 0.02 0.00 0.00 41.25 38.92 1k56 s ASN 38 CO 0.19 -0.54 0.55 0.61 0.02 0.00 0.00 177.10 177.93 1k56 n GLY 39 N 5.12 1.15 3.09 0.66 0.00 -1.26 -1.04 105.19 112.91 1k56 n GLY 39 Ca -0.08 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 1k56 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k56 s VAL 40 N -2.36 0.03 -0.06 1.61 0.11 0.25 -4.82 120.40 115.15 1k56 s VAL 40 Ca 0.12 -0.26 0.04 0.00 -2.93 0.00 0.00 61.98 58.95 1k56 s VAL 40 Cb -0.02 -0.35 -0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1k56 s VAL 40 CO 0.06 -0.14 -0.19 0.12 -3.33 0.00 0.00 175.10 171.61 1k56 s PHE 41 N -0.47 1.98 -0.12 1.54 5.99 -1.26 -1.82 117.98 123.81 1k56 s PHE 41 Ca -0.06 -0.66 0.03 0.00 0.00 0.00 0.00 56.93 56.24 1k56 s PHE 41 Cb -0.04 -1.34 0.01 0.00 0.00 0.00 0.00 43.02 41.66 1k56 s PHE 41 CO 0.01 -0.25 -0.21 0.08 -0.00 0.00 0.00 175.22 174.85 1k56 s VAL 42 N 0.18 1.93 -0.07 3.12 1.01 0.65 -3.05 120.40 124.16 1k56 s VAL 42 Ca -0.09 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1k56 s VAL 42 Cb -0.14 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1k56 s VAL 42 CO 0.04 0.53 -0.08 -0.22 0.00 0.00 0.00 175.10 175.37 1k56 s LEU 43 N 0.72 1.38 -0.15 3.92 2.96 -0.05 -1.39 118.68 126.06 1k56 s LEU 43 Ca -0.10 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1k56 s LEU 43 Cb -0.16 -0.69 0.03 0.00 0.50 0.00 0.00 46.19 45.86 1k56 s LEU 43 CO 0.01 -0.04 -0.13 0.00 -1.32 0.00 0.00 176.35 174.87 1k56 s LYS 45 N 1.49 4.32 0.00 0.00 2.20 -0.90 -0.89 119.74 125.96 1k56 s LYS 45 Ca 0.04 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1k56 s LYS 45 Cb -0.13 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1k56 s LYS 45 CO -0.10 -0.06 0.00 0.43 -0.36 0.00 0.00 175.35 175.26 1k56 n SER 46 N 4.35 0.00 -3.90 1.43 7.64 0.91 -4.60 113.62 119.46 1k56 n SER 46 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.78 1k56 n SER 46 Cb 0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 1k56 n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1k56 s SER 47 N 0.00 -0.21 0.00 6.43 1.04 -1.26 -4.90 113.70 114.80 1k56 s SER 47 Ca 0.00 -0.71 0.05 0.00 0.48 0.00 0.00 55.95 55.77 1k56 s SER 47 Cb 0.00 0.69 0.29 0.00 0.10 0.00 0.00 66.02 67.09 1k56 s SER 47 CO 0.00 -1.29 1.01 -1.54 0.98 0.00 0.00 173.24 172.40 1k56 n SER 48 N -0.44 0.00 -0.42 7.02 3.41 -1.26 -2.73 113.62 119.20 1k56 n SER 48 Ca -0.03 -1.46 0.14 0.00 -0.26 0.00 0.00 58.87 57.25 1k56 n SER 48 Cb 0.60 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 65.00 1k56 n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k56 n LYS 49 N -0.59 1.41 -3.43 4.33 5.02 -1.26 -4.54 118.16 119.10 1k56 n LYS 49 Ca 0.04 -0.84 -0.28 0.00 -2.02 0.00 0.00 58.31 55.20 1k56 n LYS 49 Cb 0.02 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.44 1k56 n LYS 49 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1k56 s SER 50 N -2.17 2.08 0.22 4.39 0.01 -1.11 -4.80 113.70 112.31 1k56 s SER 50 Ca 0.33 -2.74 0.10 0.00 1.31 0.00 0.00 55.95 54.94 1k56 s SER 50 Cb 0.20 -0.45 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 1k56 s SER 50 CO 0.40 -0.22 -0.18 0.00 0.41 0.00 0.00 173.24 173.65 1k56 s ALA 52 N -2.48 0.33 0.12 0.00 0.00 -0.31 -2.90 121.76 116.52 1k56 s ALA 52 Ca 0.23 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1k56 s ALA 52 Cb -0.04 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1k56 s ALA 52 CO 0.09 -0.08 0.29 -0.08 0.00 0.00 0.00 175.76 175.98 1k56 s THR 53 N -1.33 0.10 -0.63 0.00 -1.32 -0.92 -0.87 115.64 110.68 1k56 s THR 53 Ca -0.12 -1.01 0.25 0.00 -1.21 0.00 0.00 61.69 59.60 1k56 s THR 53 Cb -0.09 -1.38 0.15 0.00 -1.51 0.00 0.00 72.50 69.67 1k56 s THR 53 CO -0.00 -0.46 1.48 -0.55 -2.21 0.00 0.00 174.62 172.88 1k56 h ASN 54 N 2.57 0.00 -1.82 8.08 -1.07 -1.73 0.29 115.58 121.90 1k56 h ASN 54 Ca -0.33 -0.11 -0.23 0.00 0.07 0.00 0.00 56.30 55.70 1k56 h ASN 54 Cb 1.22 0.00 -0.30 0.00 -2.07 0.00 0.00 38.32 37.18 1k56 h ASN 54 CO 0.51 0.05 -0.56 -0.62 0.07 0.00 0.00 177.43 176.88 1k56 s ASP 55 N -4.59 0.72 0.29 6.14 3.68 -1.26 -4.74 116.67 116.91 1k56 s ASP 55 Ca 0.07 -0.50 -0.03 0.00 2.13 0.00 0.00 52.55 54.22 1k56 s ASP 55 Cb 0.12 0.95 0.41 0.00 -1.45 0.00 0.00 42.92 42.94 1k56 s ASP 55 CO 0.68 -0.36 1.95 -0.07 0.13 0.00 0.00 175.17 177.49 1k56 h LEU 56 N 8.17 1.00 0.80 -1.34 3.38 -1.95 -0.35 115.31 125.01 1k56 h LEU 56 Ca -0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1k56 h LEU 56 Cb 1.11 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.62 1k56 h LEU 56 CO 0.28 0.71 -0.38 0.00 0.09 0.00 0.00 178.44 179.14 1k56 h ALA 57 N 1.46 -1.07 0.00 1.53 0.00 -2.01 -3.16 119.26 116.02 1k56 h ALA 57 Ca 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1k56 h ALA 57 Cb -0.08 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1k56 h ALA 57 CO -0.08 -1.05 -0.16 -0.09 0.00 0.00 0.00 179.25 177.87 1k56 h ARG 58 N -1.18 0.00 -1.04 0.00 2.43 -1.89 -2.92 114.38 109.79 1k56 h ARG 58 Ca -0.11 0.00 0.27 0.00 -0.81 0.00 0.00 59.98 59.33 1k56 h ARG 58 Cb 0.83 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.27 1k56 h ARG 58 CO 0.18 0.16 0.64 0.00 -1.51 0.00 0.00 179.97 179.44 1k56 h ALA 59 N 1.84 2.05 -0.41 2.80 0.00 -1.02 -1.25 119.26 123.26 1k56 h ALA 59 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1k56 h ALA 59 Cb 0.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1k56 h ALA 59 CO 0.02 -0.51 0.00 0.43 0.00 0.00 0.00 179.25 179.19 1k56 n SER 60 N -4.77 3.19 -4.74 0.00 7.64 -1.10 -1.89 113.62 111.95 1k56 n SER 60 Ca 0.27 -1.93 -0.41 0.00 1.01 0.00 0.00 58.87 57.82 1k56 n SER 60 Cb 0.86 -0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 1k56 n SER 60 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1k56 s LYS 61 N -1.12 4.67 -0.15 1.43 1.02 -0.47 -4.73 119.74 120.37 1k56 s LYS 61 Ca 0.32 1.65 -0.09 0.00 0.02 0.00 0.00 55.97 57.87 1k56 s LYS 61 Cb 0.18 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1k56 s LYS 61 CO 0.24 0.20 0.16 -1.21 -0.92 0.00 0.00 175.35 173.82 1k56 s GLU 62 N -0.65 3.87 0.15 1.68 2.02 -1.26 -4.08 118.70 120.44 1k56 s GLU 62 Ca 0.47 -0.12 0.05 0.00 0.02 0.00 0.00 54.97 55.38 1k56 s GLU 62 Cb -0.28 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 1k56 s GLU 62 CO 0.35 0.51 -0.11 0.71 0.02 0.00 0.00 175.26 176.74 1k56 s TYR 63 N -0.27 1.31 0.07 1.61 1.51 -0.46 -4.68 117.35 116.43 1k56 s TYR 63 Ca 0.12 -0.74 -0.36 0.00 -1.01 0.00 0.00 57.07 55.09 1k56 s TYR 63 Cb -0.12 -0.66 -0.16 0.00 -0.11 0.00 0.00 41.96 40.91 1k56 s TYR 63 CO 0.02 0.11 1.46 1.28 -1.11 0.00 0.00 175.55 177.31 1k56 n LEU 64 N -0.21 2.15 0.25 -1.29 4.77 -1.25 -0.29 117.00 121.13 1k56 n LEU 64 Ca -0.10 1.10 0.15 0.00 -0.03 0.00 0.00 56.01 57.13 1k56 n LEU 64 Cb 0.60 -1.25 0.49 0.00 -2.33 0.00 0.00 43.42 40.93 1k56 n LEU 64 CO 0.32 -0.76 0.91 1.55 -1.33 0.00 0.00 177.39 178.08 1k56 h PRO 65 N 5.32 0.00 0.00 3.23 0.13 -1.76 -3.47 132.00 135.46 1k56 h PRO 65 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k56 h PRO 65 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1k56 h PRO 65 CO 0.83 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.63 1k56 n ALA 66 N -2.11 0.00 0.31 -0.56 0.00 -0.48 -1.88 120.51 115.79 1k56 n ALA 66 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1k56 n ALA 66 Cb 0.40 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.03 1k56 n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k56 n SER 67 N -0.49 0.00 0.26 0.00 7.64 -1.26 -1.19 113.62 118.57 1k56 n SER 67 Ca 0.00 0.37 0.17 0.00 1.01 0.00 0.00 58.87 60.42 1k56 n SER 67 Cb 0.00 -0.42 0.76 0.00 -1.01 0.00 0.00 64.21 63.54 1k56 n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1k56 h THR 68 N 0.00 0.00 0.00 0.44 1.35 -1.44 -3.40 112.91 109.86 1k56 h THR 68 Ca 0.00 -0.33 -0.16 0.00 -0.55 0.00 0.00 66.41 65.37 1k56 h THR 68 Cb 0.11 1.26 0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1k56 h THR 68 CO 0.00 0.00 1.52 0.33 -0.25 0.00 0.00 175.52 177.12 1k56 n PHE 69 N -2.90 0.44 0.00 4.73 7.35 -0.33 -4.43 117.46 122.32 1k56 n PHE 69 Ca 0.00 -0.96 0.00 0.00 -0.76 0.00 0.00 57.45 55.73 1k56 n PHE 69 Cb 0.23 -0.95 0.00 0.00 0.35 0.00 0.00 39.48 39.11 1k56 n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1k56 n ILE 71 N 4.91 0.00 -0.16 -2.13 5.41 -1.26 -1.56 119.36 124.58 1k56 n ILE 71 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1k56 n ILE 71 Cb 0.07 0.00 0.26 0.00 -0.71 0.00 0.00 39.64 39.27 1k56 n ILE 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k56 h PRO 72 N 0.00 0.87 -0.62 0.38 0.13 -1.98 -2.44 132.00 128.34 1k56 h PRO 72 Ca 0.00 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1k56 h PRO 72 Cb 0.00 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 30.92 1k56 h PRO 72 CO 0.00 0.62 0.40 -0.97 -0.23 0.00 0.00 178.00 177.83 1k56 h ASN 73 N 0.88 0.69 -0.60 1.44 -0.00 -1.64 -0.36 115.58 115.98 1k56 h ASN 73 Ca 0.23 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.49 1k56 h ASN 73 Cb -0.00 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.12 1k56 h ASN 73 CO -0.04 0.49 0.27 0.00 -0.00 0.00 0.00 177.43 178.16 1k56 h ALA 74 N 1.24 0.77 -0.46 1.57 0.00 -1.74 0.12 119.26 120.76 1k56 h ALA 74 Ca 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1k56 h ALA 74 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1k56 h ALA 74 CO -0.06 0.35 0.08 0.82 0.00 0.00 0.00 179.25 180.44 1k56 h ILE 75 N 0.82 1.24 -0.71 0.00 2.04 -0.98 -1.83 117.51 118.10 1k56 h ILE 75 Ca 0.20 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 1k56 h ILE 75 Cb 0.15 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1k56 h ILE 75 CO -0.02 0.31 0.16 0.40 0.00 0.00 0.00 178.15 179.00 1k56 h ILE 76 N 0.63 1.26 -0.76 -0.67 2.04 -0.88 0.19 117.51 119.31 1k56 h ILE 76 Ca 0.14 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1k56 h ILE 76 Cb 0.37 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1k56 h ILE 76 CO 0.01 0.38 0.48 1.23 0.00 0.00 0.00 178.15 180.25 1k56 h GLY 77 N 1.08 1.08 0.81 5.37 0.00 -0.51 -1.44 103.07 109.46 1k56 h GLY 77 Ca 0.22 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1k56 h GLY 77 CO 0.00 0.41 -0.34 1.41 0.00 0.00 0.00 176.54 178.03 1k56 h LEU 78 N 1.04 0.52 -1.10 3.11 3.38 -0.98 0.12 115.31 121.40 1k56 h LEU 78 Ca 0.28 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1k56 h LEU 78 Cb -0.09 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1k56 h LEU 78 CO -0.06 1.01 0.18 -0.33 0.09 0.00 0.00 178.44 179.33 1k56 h GLU 79 N 0.06 0.81 -0.00 1.13 4.39 -0.53 -2.52 114.58 117.93 1k56 h GLU 79 Ca -0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1k56 h GLU 79 Cb 0.95 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1k56 h GLU 79 CO 0.07 0.70 -0.19 0.25 -1.16 0.00 0.00 179.01 178.69 1k56 n THR 80 N -4.30 0.00 -0.85 1.13 -2.24 -0.58 -4.92 114.28 102.52 1k56 n THR 80 Ca 0.04 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1k56 n THR 80 Cb 0.19 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1k56 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k56 n GLY 81 N 1.34 0.89 0.29 3.38 0.00 -0.95 -4.91 105.19 105.23 1k56 n GLY 81 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1k56 n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k56 h VAL 82 N 0.00 1.06 -3.77 1.61 2.07 -1.52 -3.35 116.25 112.35 1k56 h VAL 82 Ca 0.00 -0.30 -0.63 0.00 0.82 0.00 0.00 66.70 66.59 1k56 h VAL 82 Cb 0.00 0.11 -0.16 0.00 -1.52 0.00 0.00 31.29 29.72 1k56 h VAL 82 CO 0.00 0.16 -0.50 -0.63 0.02 0.00 0.00 177.57 176.62 1k56 s ILE 83 N -6.10 5.32 0.03 4.57 1.01 0.33 -4.99 121.20 121.37 1k56 s ILE 83 Ca -0.13 0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.48 1k56 s ILE 83 Cb 0.16 -3.53 -0.16 0.00 0.01 0.00 0.00 42.46 38.94 1k56 s ILE 83 CO 0.77 0.28 1.45 0.50 0.00 0.00 0.00 174.94 177.95 1k56 h LYS 84 N 8.04 0.08 0.00 2.79 3.64 -1.87 -3.39 116.57 125.87 1k56 h LYS 84 Ca -0.36 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1k56 h LYS 84 Cb 1.18 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1k56 h LYS 84 CO 0.59 0.37 0.03 0.27 -2.27 0.00 0.00 179.45 178.44 1k56 n ASN 85 N -4.88 -0.10 0.27 4.20 0.23 -1.26 -5.02 115.26 108.71 1k56 n ASN 85 Ca -0.07 -1.05 0.18 0.00 -0.53 0.00 0.00 54.58 53.11 1k56 n ASN 85 Cb 0.18 0.16 0.90 0.00 -2.08 0.00 0.00 39.78 38.94 1k56 n ASN 85 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1k56 h GLU 86 N 0.00 0.00 -0.57 -3.83 4.11 -1.99 -2.85 114.58 109.46 1k56 h GLU 86 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1k56 h GLU 86 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1k56 h GLU 86 CO 0.02 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.82 1k56 n HIS 87 N -2.86 0.76 -1.77 2.06 8.25 -1.26 -4.54 115.22 115.86 1k56 n HIS 87 Ca -0.01 -0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 1k56 n HIS 87 Cb 0.15 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1k56 n HIS 87 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k56 s GLN 88 N -1.00 4.12 -0.19 -0.41 0.74 -1.08 -4.96 119.66 116.89 1k56 s GLN 88 Ca 0.38 2.58 -0.06 0.00 0.05 0.00 0.00 55.36 58.31 1k56 s GLN 88 Cb 0.20 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.25 1k56 s GLN 88 CO 0.26 -0.65 0.04 0.08 -0.55 0.00 0.00 175.29 174.47 1k56 s VAL 89 N 0.10 4.46 -0.57 1.34 1.01 -1.26 -3.30 120.40 122.18 1k56 s VAL 89 Ca 0.64 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1k56 s VAL 89 Cb -0.48 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 32.98 1k56 s VAL 89 CO 0.47 0.45 0.70 -0.36 0.00 0.00 0.00 175.10 176.35 1k56 s PHE 90 N 0.58 2.99 0.17 5.22 0.40 0.12 -4.95 117.98 122.51 1k56 s PHE 90 Ca 0.01 -0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 55.24 1k56 s PHE 90 Cb -0.13 -3.89 -0.07 0.00 0.51 0.00 0.00 43.02 39.44 1k56 s PHE 90 CO 0.02 -1.24 1.01 0.15 0.70 0.00 0.00 175.22 175.86 1k56 s LYS 91 N 2.77 4.69 0.11 0.44 1.02 -1.26 -1.26 119.74 126.24 1k56 s LYS 91 Ca 0.13 1.57 -0.29 0.00 0.02 0.00 0.00 55.97 57.40 1k56 s LYS 91 Cb -0.22 -3.31 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 1k56 s LYS 91 CO 0.08 0.23 0.93 -0.46 -0.92 0.00 0.00 175.35 175.21 1k56 s TRP 92 N -0.38 3.81 -2.28 3.18 -0.00 -1.26 -4.94 118.94 117.07 1k56 s TRP 92 Ca 0.46 1.76 0.21 0.00 -0.00 0.00 0.00 56.10 58.54 1k56 s TRP 92 Cb -0.26 -3.01 0.80 0.00 -0.00 0.00 0.00 33.47 30.99 1k56 s TRP 92 CO 0.33 0.23 1.57 -0.40 -0.00 0.00 0.00 176.95 178.68 1k56 n ASP 93 N 2.71 1.57 0.00 5.86 5.68 -1.26 -4.89 116.55 126.21 1k56 n ASP 93 Ca 0.01 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1k56 n ASP 93 Cb 0.49 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1k56 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k56 n GLY 94 N 1.12 0.87 3.88 6.12 0.00 -1.26 -5.03 105.19 110.88 1k56 n GLY 94 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1k56 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k56 s LYS 95 N -0.24 3.77 0.33 1.61 -0.14 -1.26 -5.01 119.74 118.79 1k56 s LYS 95 Ca 0.00 0.19 -0.29 0.00 -1.36 0.00 0.00 55.97 54.52 1k56 s LYS 95 Cb 0.00 -2.76 -0.12 0.00 -1.68 0.00 0.00 37.83 33.27 1k56 s LYS 95 CO 0.00 0.39 1.35 -2.30 -0.76 0.00 0.00 175.35 174.03 1k56 n PRO 96 N 0.11 2.22 -4.45 -1.68 -0.02 -1.26 -5.02 135.00 124.90 1k56 n PRO 96 Ca -0.02 0.78 -0.23 0.00 -2.02 0.00 0.00 63.50 62.02 1k56 n PRO 96 Cb 0.52 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 1k56 n PRO 96 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1k56 s ARG 97 N -1.64 1.61 0.42 -0.52 0.52 -1.26 -5.06 118.95 113.02 1k56 s ARG 97 Ca 0.57 -1.75 0.18 0.00 -0.52 0.00 0.00 55.73 54.21 1k56 s ARG 97 Cb -0.56 -1.57 0.92 0.00 0.52 0.00 0.00 34.95 34.26 1k56 s ARG 97 CO 0.60 0.25 1.88 0.00 0.02 0.00 0.00 175.30 178.05 1k56 h ALA 98 N 2.30 1.27 -4.11 2.13 0.00 -1.98 -3.41 119.26 115.47 1k56 h ALA 98 Ca -0.40 -0.27 -0.63 0.00 0.00 0.00 0.00 54.91 53.62 1k56 h ALA 98 Cb 1.25 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 1k56 h ALA 98 CO 0.62 0.37 -0.86 -1.64 0.00 0.00 0.00 179.25 177.74 1k56 s MET 99 N -4.06 2.06 0.44 0.00 -1.94 -1.26 -5.02 119.30 109.51 1k56 s MET 99 Ca -0.02 -0.77 0.10 0.00 -1.71 0.00 0.00 55.69 53.29 1k56 s MET 99 Cb 0.13 -1.82 0.97 0.00 2.01 0.00 0.00 34.83 36.12 1k56 s MET 99 CO 0.68 0.36 2.07 -0.22 -0.01 0.00 0.00 175.02 177.90 1k56 h LYS 100 N 5.99 0.35 0.00 2.03 1.63 -1.99 -1.61 116.57 122.97 1k56 h LYS 100 Ca -0.34 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1k56 h LYS 100 Cb 1.16 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1k56 h LYS 100 CO 0.47 0.25 0.00 1.96 -3.45 0.00 0.00 179.45 178.69 1k56 h GLN 101 N 0.36 0.00 -0.01 1.90 4.20 -1.96 -1.47 115.11 118.12 1k56 h GLN 101 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1k56 h GLN 101 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1k56 h GLN 101 CO -0.02 0.00 -0.39 0.91 -0.67 0.00 0.00 178.83 178.66 1k56 n TRP 102 N -2.62 0.00 -2.01 2.96 8.01 -0.61 -4.67 117.44 118.51 1k56 n TRP 102 Ca -0.00 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.78 1k56 n TRP 102 Cb 0.18 -0.06 -0.00 0.00 -2.01 0.00 0.00 31.31 29.42 1k56 n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1k56 n GLU 103 N -0.33 3.92 -3.57 -0.99 1.02 -0.56 -4.83 120.64 115.30 1k56 n GLU 103 Ca 0.10 -3.23 -0.06 0.00 -0.02 0.00 0.00 57.16 53.96 1k56 n GLU 103 Cb 0.41 -2.84 -0.02 0.00 -0.02 0.00 0.00 31.44 28.98 1k56 n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1k56 s ARG 104 N 0.34 0.64 0.34 3.49 1.70 -1.26 -5.07 118.95 119.13 1k56 s ARG 104 Ca 0.50 -0.26 -0.29 0.00 -0.47 0.00 0.00 55.73 55.21 1k56 s ARG 104 Cb 0.14 0.28 -0.11 0.00 -0.57 0.00 0.00 34.95 34.69 1k56 s ARG 104 CO -0.05 -0.28 1.49 -0.51 -1.08 0.00 0.00 175.30 174.87 1k56 s ASP 105 N -2.46 6.42 0.01 -2.89 -0.00 -1.26 -4.32 116.67 112.18 1k56 s ASP 105 Ca 0.08 2.96 0.03 0.00 -0.00 0.00 0.00 52.55 55.61 1k56 s ASP 105 Cb -0.01 -2.65 -0.01 0.00 -0.00 0.00 0.00 42.92 40.25 1k56 s ASP 105 CO -0.06 -0.83 -0.09 -0.76 -0.00 0.00 0.00 175.17 173.43 1k56 s LEU 106 N -1.51 2.10 0.96 1.23 1.43 -0.39 -4.96 118.68 117.54 1k56 s LEU 106 Ca 0.56 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 1k56 s LEU 106 Cb -0.46 -0.38 0.19 0.00 0.03 0.00 0.00 46.19 45.57 1k56 s LEU 106 CO 0.57 0.01 1.25 0.42 0.23 0.00 0.00 176.35 178.83 1k56 s THR 107 N -0.58 1.95 0.15 5.49 -4.23 -1.26 0.11 115.64 117.26 1k56 s THR 107 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 1k56 s THR 107 Cb -0.05 -2.91 0.01 0.00 1.34 0.00 0.00 72.50 70.89 1k56 s THR 107 CO 0.00 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.14 1k56 h LEU 108 N -1.66 0.41 -0.60 4.79 5.85 -1.79 -0.21 115.31 122.10 1k56 h LEU 108 Ca -0.45 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 1k56 h LEU 108 Cb 1.27 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1k56 h LEU 108 CO 0.45 0.29 0.23 -0.09 -0.34 0.00 0.00 178.44 178.98 1k56 h ARG 109 N 0.50 0.90 -0.62 1.25 2.43 -1.88 -1.64 114.38 115.32 1k56 h ARG 109 Ca 0.15 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1k56 h ARG 109 Cb -0.02 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1k56 h ARG 109 CO -0.05 0.78 0.32 0.78 -1.51 0.00 0.00 179.97 180.28 1k56 h GLY 110 N 0.84 0.94 1.09 2.80 0.00 -1.84 0.84 103.07 107.74 1k56 h GLY 110 Ca 0.20 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1k56 h GLY 110 CO -0.01 0.42 0.18 0.00 0.00 0.00 0.00 176.54 177.13 1k56 h ALA 111 N 1.14 0.98 0.07 3.60 0.00 -0.84 0.89 119.26 125.11 1k56 h ALA 111 Ca 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k56 h ALA 111 Cb 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1k56 h ALA 111 CO -0.03 0.66 -0.03 0.82 0.00 0.00 0.00 179.25 180.67 1k56 h ILE 112 N 1.06 1.12 -0.81 0.00 2.04 -0.97 -1.15 117.51 118.80 1k56 h ILE 112 Ca 0.22 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.42 1k56 h ILE 112 Cb 0.36 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1k56 h ILE 112 CO 0.00 0.17 0.54 1.56 0.00 0.00 0.00 178.15 180.42 1k56 h GLN 113 N -0.40 1.07 -0.09 2.37 1.08 -0.51 -1.69 115.11 116.94 1k56 h GLN 113 Ca -0.01 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1k56 h GLN 113 Cb 0.35 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1k56 h GLN 113 CO 0.02 0.70 0.00 1.33 -0.95 0.00 0.00 178.83 179.93 1k56 n VAL 114 N -4.41 0.10 -3.60 -0.54 0.24 0.28 -4.96 118.33 105.43 1k56 n VAL 114 Ca 0.09 -0.33 -0.20 0.00 -2.04 0.00 0.00 64.34 61.86 1k56 n VAL 114 Cb 0.03 0.55 0.05 0.00 -1.47 0.00 0.00 33.84 33.00 1k56 n VAL 114 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1k56 n SER 115 N 0.37 -2.05 -4.57 -1.34 2.88 -0.64 -4.86 113.62 103.41 1k56 n SER 115 Ca 0.18 -0.78 -0.34 0.00 -1.33 0.00 0.00 58.87 56.60 1k56 n SER 115 Cb 0.38 -4.35 -0.04 0.00 -0.75 0.00 0.00 64.21 59.45 1k56 n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k56 s ALA 116 N -3.57 2.32 0.22 -1.46 0.00 -0.48 -4.87 121.76 113.93 1k56 s ALA 116 Ca 0.07 -2.21 -0.12 0.00 0.00 0.00 0.00 51.96 49.70 1k56 s ALA 116 Cb -0.02 -4.61 0.29 0.00 0.00 0.00 0.00 23.12 18.78 1k56 s ALA 116 CO 0.79 -4.34 1.63 0.28 0.00 0.00 0.00 175.76 174.12 1k56 h VAL 117 N 6.41 0.38 0.00 0.00 2.07 -1.89 -1.58 116.25 121.63 1k56 h VAL 117 Ca 0.24 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 1k56 h VAL 117 Cb 0.95 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1k56 h VAL 117 CO 1.32 0.01 -0.08 1.55 0.02 0.00 0.00 177.57 180.39 1k56 h PRO 118 N 0.04 0.00 -0.23 1.57 0.13 -1.99 -0.31 132.00 131.20 1k56 h PRO 118 Ca 0.33 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.47 1k56 h PRO 118 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1k56 h PRO 118 CO -0.64 0.08 0.14 0.28 -0.23 0.00 0.00 178.00 177.63 1k56 h VAL 119 N 0.00 1.04 0.00 1.56 2.07 -1.70 -2.61 116.25 116.61 1k56 h VAL 119 Ca -0.00 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 1k56 h VAL 119 Cb 0.14 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1k56 h VAL 119 CO 0.01 0.05 -0.46 -0.26 0.02 0.00 0.00 177.57 176.93 1k56 h PHE 120 N 0.29 0.00 -0.47 1.57 -1.00 -1.23 -2.29 116.94 113.81 1k56 h PHE 120 Ca 0.09 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 1k56 h PHE 120 Cb -0.02 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 1k56 h PHE 120 CO -0.07 0.46 0.28 1.96 -1.61 0.00 0.00 178.31 179.33 1k56 h GLN 121 N 0.00 0.64 -0.39 1.51 4.20 -1.00 0.12 115.11 120.18 1k56 h GLN 121 Ca -0.00 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 1k56 h GLN 121 Cb 1.29 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1k56 h GLN 121 CO 0.06 0.47 -0.28 0.37 -0.67 0.00 0.00 178.83 178.78 1k56 h GLN 122 N 0.62 0.83 -0.22 1.46 5.75 -1.29 -1.58 115.11 120.69 1k56 h GLN 122 Ca 0.17 -0.37 0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1k56 h GLN 122 Cb -0.00 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1k56 h GLN 122 CO -0.03 1.01 0.02 0.82 -2.65 0.00 0.00 178.83 178.00 1k56 h ILE 123 N 0.71 0.87 -0.78 2.39 2.04 -1.17 -1.81 117.51 119.76 1k56 h ILE 123 Ca 0.08 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.97 1k56 h ILE 123 Cb 0.83 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 1k56 h ILE 123 CO 0.07 0.02 0.47 0.00 0.00 0.00 0.00 178.15 178.71 1k56 h ALA 124 N 1.17 1.05 -0.82 1.87 0.00 -0.67 -0.12 119.26 121.74 1k56 h ALA 124 Ca 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1k56 h ALA 124 Cb 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1k56 h ALA 124 CO -0.16 0.20 0.55 0.00 0.00 0.00 0.00 179.25 179.84 1k56 h ARG 125 N 0.86 1.08 -0.16 0.00 3.08 -0.97 -0.65 114.38 117.61 1k56 h ARG 125 Ca 0.34 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.13 1k56 h ARG 125 Cb 0.15 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1k56 h ARG 125 CO -0.17 0.71 -0.67 0.93 -1.07 0.00 0.00 179.97 179.70 1k56 h GLU 126 N 1.11 0.64 0.32 0.04 5.08 -0.53 -3.16 114.58 118.07 1k56 h GLU 126 Ca 0.31 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1k56 h GLU 126 Cb -0.11 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1k56 h GLU 126 CO -0.07 1.09 -0.17 0.28 -1.00 0.00 0.00 179.01 179.14 1k56 h VAL 127 N 0.46 0.64 0.00 3.13 2.07 -0.83 -3.50 116.25 118.23 1k56 h VAL 127 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1k56 h VAL 127 Cb 1.26 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1k56 h VAL 127 CO 0.13 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1k56 n GLY 128 N -1.30 0.02 0.26 2.17 0.00 -0.27 -4.29 105.19 101.78 1k56 n GLY 128 Ca -0.10 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1k56 n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k56 h GLU 129 N 0.00 0.60 -0.35 1.61 4.81 -1.89 -1.39 114.58 117.98 1k56 h GLU 129 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1k56 h GLU 129 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1k56 h GLU 129 CO 0.00 0.40 0.14 0.28 -0.73 0.00 0.00 179.01 179.09 1k56 h VAL 130 N 0.62 1.19 -0.39 0.32 2.07 -2.00 -1.57 116.25 116.49 1k56 h VAL 130 Ca 0.33 -0.58 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 1k56 h VAL 130 Cb 0.31 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1k56 h VAL 130 CO -0.24 0.20 -0.22 0.03 0.02 0.00 0.00 177.57 177.37 1k56 h ARG 131 N 0.41 0.83 -0.54 1.57 3.08 -1.72 -2.69 114.38 115.32 1k56 h ARG 131 Ca 0.12 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 59.82 1k56 h ARG 131 Cb 0.19 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1k56 h ARG 131 CO -0.01 1.01 0.32 1.98 -1.07 0.00 0.00 179.97 182.20 1k56 h MET 132 N 0.64 0.61 -0.62 0.04 4.05 -1.14 -1.35 114.93 117.16 1k56 h MET 132 Ca 0.08 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1k56 h MET 132 Cb 0.78 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.41 1k56 h MET 132 CO 0.06 0.40 0.40 0.37 0.23 0.00 0.00 176.91 178.38 1k56 h GLN 133 N 0.63 0.82 -0.14 0.39 5.75 -1.22 -1.23 115.11 120.11 1k56 h GLN 133 Ca 0.22 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1k56 h GLN 133 Cb 0.04 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1k56 h GLN 133 CO -0.11 0.56 0.09 -0.22 -2.65 0.00 0.00 178.83 176.50 1k56 h LYS 134 N 0.84 0.17 -0.19 1.69 3.64 -1.08 -1.74 116.57 119.90 1k56 h LYS 134 Ca 0.23 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1k56 h LYS 134 Cb -0.08 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1k56 h LYS 134 CO -0.05 0.11 -0.42 1.88 -2.27 0.00 0.00 179.45 178.71 1k56 h TYR 135 N 0.18 0.53 -0.15 1.91 -1.99 -1.06 -1.29 116.97 115.10 1k56 h TYR 135 Ca 0.05 -0.15 -0.10 0.00 2.00 0.00 0.00 58.73 60.53 1k56 h TYR 135 Cb -0.01 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.59 1k56 h TYR 135 CO -0.07 0.79 -0.35 -0.07 -0.00 0.00 0.00 178.16 178.46 1k56 h LEU 136 N 0.36 0.32 -0.02 3.88 3.38 -0.99 0.34 115.31 122.58 1k56 h LEU 136 Ca 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1k56 h LEU 136 Cb 0.89 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1k56 h LEU 136 CO 0.08 0.65 0.00 0.50 0.09 0.00 0.00 178.44 179.76 1k56 h LYS 137 N 0.27 0.03 -0.77 1.13 3.64 -1.00 -1.37 116.57 118.50 1k56 h LYS 137 Ca 0.03 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1k56 h LYS 137 Cb 0.75 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.50 1k56 h LYS 137 CO 0.06 0.26 0.43 0.87 -2.27 0.00 0.00 179.45 178.80 1k56 h LYS 138 N -0.20 0.72 -0.00 1.90 1.57 -0.86 -2.07 116.57 117.63 1k56 h LYS 138 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k56 h LYS 138 Cb 0.24 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1k56 h LYS 138 CO 0.00 0.48 -0.00 1.19 -0.57 0.00 0.00 179.45 180.55 1k56 n PHE 139 N -4.77 0.00 -3.88 -1.35 0.99 0.07 -4.78 117.46 103.75 1k56 n PHE 139 Ca 0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.32 1k56 n PHE 139 Cb 0.24 -0.07 -0.01 0.00 -1.00 0.00 0.00 39.48 38.64 1k56 n PHE 139 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1k56 n SER 140 N -1.05 -0.83 -4.42 4.37 7.64 -0.59 -4.87 113.62 113.87 1k56 n SER 140 Ca 0.21 -0.97 -0.44 0.00 1.01 0.00 0.00 58.87 58.68 1k56 n SER 140 Cb 0.15 -3.28 -0.02 0.00 -1.01 0.00 0.00 64.21 60.04 1k56 n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k56 s TYR 141 N -3.87 3.24 0.00 1.43 5.04 -0.77 -4.96 117.35 117.47 1k56 s TYR 141 Ca 0.04 -1.49 0.00 0.00 -2.44 0.00 0.00 57.07 53.17 1k56 s TYR 141 Cb -0.01 -4.18 0.00 0.00 0.35 0.00 0.00 41.96 38.11 1k56 s TYR 141 CO 0.87 -1.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.10 1k56 n GLY 142 N 5.18 2.35 0.00 8.97 0.00 -1.26 -2.21 105.19 118.23 1k56 n GLY 142 Ca 0.21 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.91 1k56 n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k56 n ASN 143 N 0.26 0.00 -2.14 1.61 6.94 -0.31 -4.90 115.26 116.72 1k56 n ASN 143 Ca 0.00 -1.13 -0.11 0.00 -0.02 0.00 0.00 54.58 53.32 1k56 n ASN 143 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1k56 n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k56 n GLN 144 N -0.93 -2.00 -3.28 -3.83 6.02 -0.94 -4.91 117.38 107.51 1k56 n GLN 144 Ca 0.21 0.59 -0.45 0.00 -0.01 0.00 0.00 57.00 57.34 1k56 n GLN 144 Cb 0.10 -5.07 -0.06 0.00 1.02 0.00 0.00 30.24 26.22 1k56 n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1k56 s ASN 145 N -2.01 6.18 -0.27 1.08 3.84 -1.26 -4.91 114.94 117.59 1k56 s ASN 145 Ca 0.00 -1.43 0.10 0.00 0.21 0.00 0.00 52.86 51.74 1k56 s ASN 145 Cb 0.00 -2.23 0.72 0.00 -0.55 0.00 0.00 41.25 39.19 1k56 s ASN 145 CO 0.00 -0.84 1.71 2.30 -2.79 0.00 0.00 177.10 177.48 1k56 n ILE 146 N 5.35 2.69 -1.96 -5.21 -5.35 -1.26 -2.12 119.36 111.49 1k56 n ILE 146 Ca -0.11 -1.42 -0.33 0.00 -0.27 0.00 0.00 62.75 60.62 1k56 n ILE 146 Cb 0.43 -0.35 0.02 0.00 -1.74 0.00 0.00 39.64 37.99 1k56 n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k56 s SER 147 N -0.82 5.49 0.00 7.28 1.04 -1.26 -4.31 113.70 121.12 1k56 s SER 147 Ca 0.51 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.89 1k56 s SER 147 Cb 0.40 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1k56 s SER 147 CO 0.13 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.60 1k56 n GLY 148 N -0.60 0.99 0.00 7.32 0.00 -1.26 -3.04 105.19 108.61 1k56 n GLY 148 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1k56 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k56 n GLY 149 N -0.17 2.48 0.29 -0.02 0.00 -1.26 -4.57 105.19 101.93 1k56 n GLY 149 Ca 0.00 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.72 1k56 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k56 h ILE 150 N 0.00 0.69 -0.68 -0.61 6.09 -1.95 -1.53 117.51 119.51 1k56 h ILE 150 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1k56 h ILE 150 Cb 0.00 0.99 0.00 0.00 0.47 0.00 0.00 36.82 38.28 1k56 h ILE 150 CO 0.00 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.18 1k56 n ASP 151 N -4.09 4.21 0.00 2.19 5.68 -1.26 -4.56 116.55 118.72 1k56 n ASP 151 Ca -0.03 -2.17 0.00 0.00 -0.50 0.00 0.00 54.79 52.09 1k56 n ASP 151 Cb 0.10 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 1k56 n ASP 151 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1k56 n LYS 152 N 1.39 0.00 0.20 0.11 2.85 -0.62 -4.82 118.16 117.26 1k56 n LYS 152 Ca 0.24 -0.23 0.03 0.00 -1.05 0.00 0.00 58.31 57.30 1k56 n LYS 152 Cb 0.71 -0.35 0.41 0.00 -0.65 0.00 0.00 35.03 35.15 1k56 n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1k56 h PHE 153 N 0.00 0.01 0.00 5.58 -0.00 -1.68 -0.10 116.94 120.75 1k56 h PHE 153 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1k56 h PHE 153 Cb 0.83 -0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.78 1k56 h PHE 153 CO 0.00 0.31 -0.33 -2.67 -0.00 0.00 0.00 178.31 175.62 1k56 n TRP 154 N -4.18 0.27 -0.10 6.09 2.14 -1.26 -2.15 117.44 118.24 1k56 n TRP 154 Ca -0.02 0.08 -0.16 0.00 2.07 0.00 0.00 57.50 59.46 1k56 n TRP 154 Cb 0.34 -0.52 -0.09 0.00 -0.81 0.00 0.00 31.31 30.24 1k56 n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1k56 n LEU 155 N -1.76 2.61 0.00 5.67 4.77 -0.69 -1.39 117.00 126.21 1k56 n LEU 155 Ca 0.05 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1k56 n LEU 155 Cb 0.38 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1k56 n LEU 155 CO 0.33 0.74 0.07 -0.62 -1.33 0.00 0.00 177.39 176.58 1k56 n GLU 156 N -3.32 -0.02 0.00 3.23 1.02 -0.14 -4.89 120.64 116.52 1k56 n GLU 156 Ca -0.38 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 1k56 n GLU 156 Cb 0.86 -0.55 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 1k56 n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k56 n GLY 157 N -0.01 1.09 0.93 0.62 0.00 -0.91 -4.98 105.19 101.93 1k56 n GLY 157 Ca 0.00 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.45 1k56 n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k56 n GLN 158 N 0.00 2.25 -2.29 1.61 1.13 -1.17 -4.94 117.38 113.97 1k56 n GLN 158 Ca 0.00 -1.85 -0.41 0.00 -1.94 0.00 0.00 57.00 52.80 1k56 n GLN 158 Cb 0.00 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.84 1k56 n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k56 s LEU 159 N -1.77 4.44 -0.04 1.08 2.96 -0.90 -4.67 118.68 119.77 1k56 s LEU 159 Ca 0.33 2.33 -0.03 0.00 -0.22 0.00 0.00 54.13 56.55 1k56 s LEU 159 Cb 0.21 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.30 1k56 s LEU 159 CO 0.31 -0.44 0.10 -0.13 -1.32 0.00 0.00 176.35 174.86 1k56 s ARG 160 N -0.31 0.11 -0.02 1.98 1.81 -1.26 -3.93 118.95 117.32 1k56 s ARG 160 Ca 0.54 0.15 -0.06 0.00 -1.72 0.00 0.00 55.73 54.65 1k56 s ARG 160 Cb -0.35 0.03 0.01 0.00 -0.45 0.00 0.00 34.95 34.19 1k56 s ARG 160 CO 0.38 -0.03 0.13 -1.50 -0.68 0.00 0.00 175.30 173.61 1k56 s ILE 161 N 0.16 0.04 0.50 1.52 2.07 0.60 -1.16 121.20 124.94 1k56 s ILE 161 Ca -0.01 -0.37 -0.01 0.00 -1.41 0.00 0.00 60.65 58.85 1k56 s ILE 161 Cb -0.02 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.26 1k56 s ILE 161 CO -0.00 -0.20 0.75 -0.94 -1.91 0.00 0.00 174.94 172.63 1k56 s SER 162 N -0.68 5.67 0.20 4.50 1.04 -1.26 -1.36 113.70 121.81 1k56 s SER 162 Ca -0.08 0.34 -0.11 0.00 0.48 0.00 0.00 55.95 56.59 1k56 s SER 162 Cb -0.05 -1.46 0.14 0.00 0.10 0.00 0.00 66.02 64.76 1k56 s SER 162 CO 0.01 -0.87 1.85 0.00 0.98 0.00 0.00 173.24 175.21 1k56 h ALA 163 N 0.20 0.93 -0.68 5.32 0.00 -1.70 -1.38 119.26 121.94 1k56 h ALA 163 Ca -0.45 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.41 1k56 h ALA 163 Cb 1.26 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1k56 h ALA 163 CO 0.57 0.39 0.42 0.28 0.00 0.00 0.00 179.25 180.91 1k56 h VAL 164 N 0.99 1.08 -0.79 0.00 2.07 -1.75 -1.99 116.25 115.88 1k56 h VAL 164 Ca 0.26 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1k56 h VAL 164 Cb -0.05 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1k56 h VAL 164 CO -0.05 0.15 0.31 -1.13 0.02 0.00 0.00 177.57 176.87 1k56 h ASN 165 N 0.82 1.08 -0.87 0.57 -0.73 -1.74 -1.20 115.58 113.52 1k56 h ASN 165 Ca 0.27 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.27 1k56 h ASN 165 Cb 0.03 -0.28 -0.04 0.00 0.27 0.00 0.00 38.32 38.29 1k56 h ASN 165 CO -0.11 0.96 0.54 1.56 -0.37 0.00 0.00 177.43 180.02 1k56 h GLN 166 N 1.14 1.16 -0.58 6.67 1.08 -0.99 0.01 115.11 123.60 1k56 h GLN 166 Ca 0.26 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.27 1k56 h GLN 166 Cb 0.22 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1k56 h GLN 166 CO -0.02 0.80 -0.04 0.28 -0.95 0.00 0.00 178.83 178.90 1k56 h VAL 167 N 1.18 1.27 -0.27 -0.54 2.07 -0.82 -0.54 116.25 118.60 1k56 h VAL 167 Ca 0.31 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1k56 h VAL 167 Cb -0.08 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1k56 h VAL 167 CO -0.06 0.43 0.13 -0.33 0.02 0.00 0.00 177.57 177.76 1k56 h GLU 168 N 0.94 0.38 -0.39 1.57 5.08 -0.65 -0.54 114.58 120.97 1k56 h GLU 168 Ca 0.16 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1k56 h GLU 168 Cb 0.59 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1k56 h GLU 168 CO 0.04 0.37 0.24 0.35 -1.00 0.00 0.00 179.01 179.00 1k56 h PHE 169 N 0.31 0.51 -0.39 4.33 3.04 -0.84 -2.26 116.94 121.64 1k56 h PHE 169 Ca 0.09 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.93 1k56 h PHE 169 Cb 0.11 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 1k56 h PHE 169 CO -0.02 0.36 -0.22 -0.07 -2.02 0.00 0.00 178.31 176.34 1k56 h LEU 170 N 0.52 0.78 -0.42 0.59 3.38 -0.96 -1.38 115.31 117.82 1k56 h LEU 170 Ca 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1k56 h LEU 170 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1k56 h LEU 170 CO -0.03 0.98 0.24 -0.08 0.09 0.00 0.00 178.44 179.64 1k56 h GLU 171 N 0.67 0.58 -0.53 1.13 4.81 -0.96 0.18 114.58 120.46 1k56 h GLU 171 Ca 0.09 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1k56 h GLU 171 Cb 0.72 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 1k56 h GLU 171 CO 0.06 0.45 0.11 0.77 -0.73 0.00 0.00 179.01 179.67 1k56 h SER 172 N 0.55 0.01 -0.16 1.04 0.02 -1.16 -0.08 113.55 113.76 1k56 h SER 172 Ca 0.15 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1k56 h SER 172 Cb 0.03 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1k56 h SER 172 CO -0.03 0.03 0.08 0.25 -1.14 0.00 0.00 176.83 176.02 1k56 h LEU 173 N 0.25 0.21 -0.74 5.07 5.85 -0.77 0.11 115.31 125.28 1k56 h LEU 173 Ca 0.27 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.01 1k56 h LEU 173 Cb 0.36 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 1k56 h LEU 173 CO -0.34 0.26 0.30 0.22 -0.34 0.00 0.00 178.44 178.54 1k56 h TYR 174 N 0.14 0.51 -0.04 1.25 3.20 -0.14 -1.20 116.97 120.70 1k56 h TYR 174 Ca 0.06 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1k56 h TYR 174 Cb 0.11 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1k56 h TYR 174 CO -0.03 0.07 0.00 1.28 -1.64 0.00 0.00 178.16 177.84 1k56 n LEU 175 N -5.00 0.67 -1.87 2.82 4.77 -0.09 -4.90 117.00 113.40 1k56 n LEU 175 Ca 0.14 -0.25 -0.18 0.00 -0.03 0.00 0.00 56.01 55.69 1k56 n LEU 175 Cb 0.40 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1k56 n LEU 175 CO 0.19 0.13 -0.21 0.59 -1.33 0.00 0.00 177.39 176.75 1k56 n ASN 176 N -0.42 -5.16 -0.75 -1.43 3.02 -0.45 -4.91 115.26 105.16 1k56 n ASN 176 Ca 0.19 0.08 0.13 0.00 -0.03 0.00 0.00 54.58 54.94 1k56 n ASN 176 Cb 0.20 -4.23 0.25 0.00 -0.61 0.00 0.00 39.78 35.38 1k56 n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k56 n LYS 177 N -2.65 2.01 -1.42 3.52 5.02 0.25 -4.86 118.16 120.03 1k56 n LYS 177 Ca -0.20 -1.52 -0.32 0.00 -2.02 0.00 0.00 58.31 54.25 1k56 n LYS 177 Cb 0.64 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 34.26 1k56 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k56 s LEU 178 N -2.03 3.18 -1.26 -0.35 1.43 -1.25 -4.88 118.68 113.52 1k56 s LEU 178 Ca 0.31 1.96 -0.15 0.00 -1.03 0.00 0.00 54.13 55.22 1k56 s LEU 178 Cb 0.20 -4.54 0.13 0.00 0.03 0.00 0.00 46.19 42.01 1k56 s LEU 178 CO 0.33 -1.98 1.60 -1.54 0.23 0.00 0.00 176.35 174.99 1k56 n SER 179 N -3.09 5.07 -3.47 2.29 3.41 -1.26 -4.78 113.62 111.79 1k56 n SER 179 Ca 0.10 -2.96 -0.11 0.00 -0.26 0.00 0.00 58.87 55.64 1k56 n SER 179 Cb 0.52 -1.63 -0.02 0.00 -0.26 0.00 0.00 64.21 62.83 1k56 n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k56 s ALA 180 N 2.41 -1.58 0.59 7.33 0.00 -1.26 -5.00 121.76 124.25 1k56 s ALA 180 Ca 0.46 0.45 -0.20 0.00 0.00 0.00 0.00 51.96 52.68 1k56 s ALA 180 Cb 0.01 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1k56 s ALA 180 CO 0.02 -0.79 1.29 -1.54 0.00 0.00 0.00 175.76 174.74 1k56 s SER 181 N -2.75 5.03 0.27 0.00 1.04 -1.26 -4.87 113.70 111.17 1k56 s SER 181 Ca 0.02 2.61 -0.02 0.00 0.48 0.00 0.00 55.95 59.04 1k56 s SER 181 Cb -0.01 -2.62 0.38 0.00 0.10 0.00 0.00 66.02 63.86 1k56 s SER 181 CO -0.11 -1.72 1.84 0.50 0.98 0.00 0.00 173.24 174.73 1k56 h LYS 182 N 1.00 0.91 -0.53 4.02 3.64 -1.93 -2.20 116.57 121.48 1k56 h LYS 182 Ca -0.51 -0.16 0.09 0.00 -1.27 0.00 0.00 60.65 58.79 1k56 h LYS 182 Cb 1.31 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 1k56 h LYS 182 CO 0.55 0.77 0.14 0.93 -2.27 0.00 0.00 179.45 179.57 1k56 h GLU 183 N 0.88 0.28 -0.41 1.90 5.08 -1.99 -0.96 114.58 119.35 1k56 h GLU 183 Ca 0.20 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 1k56 h GLU 183 Cb 0.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1k56 h GLU 183 CO -0.01 0.18 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.04 1k56 h ASN 184 N 0.29 0.85 -0.75 1.42 2.35 -1.84 -0.47 115.58 117.43 1k56 h ASN 184 Ca 0.26 -0.31 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1k56 h ASN 184 Cb 0.34 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1k56 h ASN 184 CO -0.32 1.05 0.26 1.56 -1.65 0.00 0.00 177.43 178.33 1k56 h GLN 185 N 0.72 1.15 -0.33 0.81 4.20 -0.94 -2.22 115.11 118.49 1k56 h GLN 185 Ca 0.10 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 1k56 h GLN 185 Cb 0.76 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1k56 h GLN 185 CO 0.06 0.96 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.97 1k56 h LEU 186 N 1.10 0.58 -0.17 1.46 3.38 -0.79 0.22 115.31 121.08 1k56 h LEU 186 Ca 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1k56 h LEU 186 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1k56 h LEU 186 CO -0.01 0.74 0.05 0.40 0.09 0.00 0.00 178.44 179.70 1k56 h ILE 187 N 0.54 1.20 -0.51 1.22 2.04 -0.73 -1.90 117.51 119.36 1k56 h ILE 187 Ca 0.09 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.23 1k56 h ILE 187 Cb 0.55 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1k56 h ILE 187 CO 0.03 0.19 -0.06 0.58 0.00 0.00 0.00 178.15 178.89 1k56 h VAL 188 N 0.09 1.26 -0.22 1.67 2.07 -1.26 -2.42 116.25 117.45 1k56 h VAL 188 Ca 0.06 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 66.45 1k56 h VAL 188 Cb 0.25 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1k56 h VAL 188 CO -0.00 0.41 0.04 0.11 0.02 0.00 0.00 177.57 178.15 1k56 h LYS 189 N 0.82 0.13 -0.79 1.57 1.57 -0.68 -1.69 116.57 117.49 1k56 h LYS 189 Ca 0.14 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1k56 h LYS 189 Cb 0.58 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1k56 h LYS 189 CO 0.03 0.08 0.42 1.49 -0.57 0.00 0.00 179.45 180.91 1k56 h GLU 190 N 0.13 1.11 0.00 3.15 4.81 -1.19 -1.35 114.58 121.24 1k56 h GLU 190 Ca 0.10 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1k56 h GLU 190 Cb 0.10 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1k56 h GLU 190 CO -0.14 0.82 -0.00 0.00 -0.73 0.00 0.00 179.01 178.97 1k56 h ALA 191 N 1.35 1.12 -0.01 2.92 0.00 -0.88 -2.16 119.26 121.60 1k56 h ALA 191 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1k56 h ALA 191 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1k56 h ALA 191 CO -0.04 0.00 -0.21 1.28 0.00 0.00 0.00 179.25 180.28 1k56 n LEU 192 N -3.26 1.25 -4.72 0.00 4.77 -0.52 -4.71 117.00 109.81 1k56 n LEU 192 Ca -0.03 -0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 1k56 n LEU 192 Cb 0.08 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1k56 n LEU 192 CO 0.22 0.23 1.28 -0.69 -1.33 0.00 0.00 177.39 177.09 1k56 s VAL 193 N -2.38 2.41 0.00 4.08 1.01 -0.81 -1.16 120.40 123.53 1k56 s VAL 193 Ca 0.27 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1k56 s VAL 193 Cb 0.20 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1k56 s VAL 193 CO 0.48 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.95 1k56 n THR 194 N 3.91 0.00 -3.72 3.92 -2.24 -0.17 -4.90 114.28 111.09 1k56 n THR 194 Ca 0.14 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1k56 n THR 194 Cb 0.37 0.56 -0.13 0.00 -2.10 0.00 0.00 70.33 69.03 1k56 n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k56 s GLU 195 N -0.89 0.19 -0.03 -0.78 2.12 -1.20 -4.99 118.70 113.12 1k56 s GLU 195 Ca 0.00 0.55 0.02 0.00 0.36 0.00 0.00 54.97 55.90 1k56 s GLU 195 Cb 0.00 -0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.28 1k56 s GLU 195 CO 0.00 -0.18 -0.07 0.00 -0.54 0.00 0.00 175.26 174.47 1k56 s ALA 196 N 1.41 0.73 0.16 6.30 0.00 -1.26 -0.93 121.76 128.17 1k56 s ALA 196 Ca -0.08 -0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.50 1k56 s ALA 196 Cb -0.11 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1k56 s ALA 196 CO -0.08 0.08 0.49 0.00 0.00 0.00 0.00 175.76 176.24 1k56 s ALA 197 N 0.42 -1.07 0.37 0.00 0.00 0.17 -5.01 121.76 116.65 1k56 s ALA 197 Ca -0.06 -0.01 0.10 0.00 0.00 0.00 0.00 51.96 51.99 1k56 s ALA 197 Cb -0.10 0.79 0.86 0.00 0.00 0.00 0.00 23.12 24.68 1k56 s ALA 197 CO 0.00 -0.73 1.89 -1.35 0.00 0.00 0.00 175.76 175.57 1k56 h PRO 198 N 2.23 0.62 0.00 0.00 0.11 -2.02 -2.67 132.00 130.27 1k56 h PRO 198 Ca -0.32 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 1k56 h PRO 198 Cb 1.27 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1k56 h PRO 198 CO 0.41 0.41 -0.54 0.39 -0.21 0.00 0.00 178.00 178.47 1k56 n GLU 199 N -4.54 1.26 -3.67 1.05 1.02 -1.26 -4.99 120.64 109.50 1k56 n GLU 199 Ca 0.16 -2.96 -0.09 0.00 -0.02 0.00 0.00 57.16 54.26 1k56 n GLU 199 Cb 0.47 -1.31 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 1k56 n GLU 199 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1k56 s TYR 200 N -2.59 -0.77 -0.05 -0.32 6.14 -1.01 -1.16 117.35 117.60 1k56 s TYR 200 Ca 0.36 1.52 -0.02 0.00 0.64 0.00 0.00 57.07 59.57 1k56 s TYR 200 Cb 0.35 0.35 0.03 0.00 0.42 0.00 0.00 41.96 43.11 1k56 s TYR 200 CO -0.07 -0.44 0.11 -1.17 0.64 0.00 0.00 175.55 174.62 1k56 s LEU 201 N 2.01 0.98 -0.10 6.97 2.96 -0.05 -0.66 118.68 130.79 1k56 s LEU 201 Ca -0.06 0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1k56 s LEU 201 Cb -0.10 0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.85 1k56 s LEU 201 CO -0.14 -0.12 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.84 1k56 s VAL 202 N 0.93 2.05 -0.18 1.68 1.01 -0.11 -0.12 120.40 125.66 1k56 s VAL 202 Ca -0.07 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 1k56 s VAL 202 Cb -0.10 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1k56 s VAL 202 CO -0.04 0.56 -0.03 -1.00 0.00 0.00 0.00 175.10 174.59 1k56 s HIS 203 N 0.35 3.00 0.23 5.22 3.76 -0.49 -1.00 115.29 126.36 1k56 s HIS 203 Ca -0.19 -0.47 -0.20 0.00 -0.15 0.00 0.00 55.06 54.05 1k56 s HIS 203 Cb -0.18 -2.02 0.03 0.00 1.11 0.00 0.00 32.58 31.52 1k56 s HIS 203 CO 0.09 -0.19 0.62 -1.54 -0.85 0.00 0.00 174.74 172.86 1k56 s SER 204 N 0.75 -0.30 -0.19 1.40 1.04 -0.31 -0.78 113.70 115.30 1k56 s SER 204 Ca -0.01 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 1k56 s SER 204 Cb -0.14 0.65 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1k56 s SER 204 CO 0.02 -1.18 0.49 -0.75 0.98 0.00 0.00 173.24 172.80 1k56 s LYS 205 N -3.88 0.52 0.41 4.02 2.47 -0.46 -4.81 119.74 118.01 1k56 s LYS 205 Ca 0.10 0.81 0.03 0.00 -1.56 0.00 0.00 55.97 55.35 1k56 s LYS 205 Cb -0.03 0.14 -0.00 0.00 -1.46 0.00 0.00 37.83 36.47 1k56 s LYS 205 CO 0.01 -0.12 0.59 0.95 0.16 0.00 0.00 175.35 176.94 1k56 s THR 206 N 0.93 3.91 0.01 3.43 -4.23 -1.26 -1.40 115.64 117.03 1k56 s THR 206 Ca -0.05 -0.73 -0.19 0.00 -1.18 0.00 0.00 61.69 59.54 1k56 s THR 206 Cb -0.06 -3.40 0.04 0.00 1.34 0.00 0.00 72.50 70.41 1k56 s THR 206 CO -0.08 -0.23 0.41 -0.83 -0.54 0.00 0.00 174.62 173.35 1k56 s GLY 207 N -4.22 -0.27 -0.30 3.99 0.00 -0.69 -3.63 107.32 102.21 1k56 s GLY 207 Ca 0.48 0.45 -0.04 0.00 0.00 0.00 0.00 44.72 45.61 1k56 s GLY 207 CO 0.35 0.20 0.66 -0.12 0.00 0.00 0.00 173.10 174.19 1k56 s PHE 208 N -1.86 -1.43 0.11 1.90 5.36 -1.26 -0.59 117.98 120.20 1k56 s PHE 208 Ca -0.09 1.68 0.11 0.00 -0.96 0.00 0.00 56.93 57.67 1k56 s PHE 208 Cb -0.02 0.56 0.11 0.00 -0.34 0.00 0.00 43.02 43.33 1k56 s PHE 208 CO 0.02 -0.77 1.46 0.66 -1.46 0.00 0.00 175.22 175.12 1k56 h SER 209 N 7.99 0.00 -4.23 6.13 4.64 -1.56 -3.43 113.55 123.08 1k56 h SER 209 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1k56 h SER 209 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1k56 h SER 209 CO 0.19 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.49 1k56 n GLY 210 N 0.90 0.87 0.42 -0.77 0.00 -1.26 -4.94 105.19 100.42 1k56 n GLY 210 Ca 0.00 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.13 1k56 n GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k56 n VAL 211 N 4.14 0.00 -1.83 1.61 0.24 -1.26 -3.77 118.33 117.45 1k56 n VAL 211 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1k56 n VAL 211 Cb 0.00 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1k56 n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k56 n GLY 212 N 1.33 2.23 3.48 7.63 0.00 -1.26 -3.62 105.19 114.99 1k56 n GLY 212 Ca 0.13 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1k56 n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k56 s THR 213 N 0.00 1.54 0.40 2.61 -4.23 0.18 -4.86 115.64 111.28 1k56 s THR 213 Ca 0.00 -2.04 0.11 0.00 -1.18 0.00 0.00 61.69 58.58 1k56 s THR 213 Cb 0.00 -2.73 0.32 0.00 1.34 0.00 0.00 72.50 71.44 1k56 s THR 213 CO 0.00 -0.10 1.94 -0.33 -0.54 0.00 0.00 174.62 175.59 1k56 h GLU 214 N 2.09 0.54 0.06 3.99 5.08 -1.90 -2.33 114.58 122.10 1k56 h GLU 214 Ca -0.41 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 57.65 1k56 h GLU 214 Cb 1.24 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1k56 h GLU 214 CO 0.71 0.36 -1.32 0.77 -1.00 0.00 0.00 179.01 178.53 1k56 h SER 215 N 0.55 0.20 -2.71 1.42 0.02 -1.96 -3.40 113.55 107.67 1k56 h SER 215 Ca 0.33 -0.25 -0.60 0.00 -0.84 0.00 0.00 61.79 60.44 1k56 h SER 215 Cb 0.55 -0.06 -0.39 0.00 0.14 0.00 0.00 62.40 62.64 1k56 h SER 215 CO -0.11 1.20 -0.84 0.20 -1.14 0.00 0.00 176.83 176.14 1k56 s ASN 216 N -6.78 2.64 0.74 3.07 -0.87 -1.02 -5.12 114.94 107.60 1k56 s ASN 216 Ca -0.04 -3.05 -0.11 0.00 -1.57 0.00 0.00 52.86 48.09 1k56 s ASN 216 Cb 0.08 -0.76 0.03 0.00 -0.02 0.00 0.00 41.25 40.58 1k56 s ASN 216 CO 0.84 -0.19 1.07 -2.16 -2.57 0.00 0.00 177.10 174.10 1k56 s PRO 217 N -0.07 2.58 0.25 -0.60 0.05 -0.91 0.50 135.00 136.80 1k56 s PRO 217 Ca 0.27 0.90 -0.04 0.00 0.05 0.00 0.00 61.00 62.18 1k56 s PRO 217 Cb -0.05 -1.95 0.06 0.00 0.05 0.00 0.00 34.50 32.60 1k56 s PRO 217 CO -0.14 -1.34 0.35 0.41 0.05 0.00 0.00 177.00 176.33 1k56 n GLY 218 N -1.89 -0.93 3.08 0.56 0.00 -0.05 -4.75 105.19 101.21 1k56 n GLY 218 Ca 0.08 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 1k56 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k56 s VAL 219 N -1.61 0.81 0.08 1.61 0.11 -1.26 -1.26 120.40 118.89 1k56 s VAL 219 Ca 0.20 -0.79 0.10 0.00 -2.93 0.00 0.00 61.98 58.56 1k56 s VAL 219 Cb -0.01 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1k56 s VAL 219 CO 0.14 -0.03 -0.26 0.00 -3.33 0.00 0.00 175.10 171.63 1k56 s ALA 220 N -0.74 2.21 0.11 1.54 0.00 -0.40 -1.30 121.76 123.19 1k56 s ALA 220 Ca -0.01 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.68 1k56 s ALA 220 Cb -0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1k56 s ALA 220 CO 0.01 0.51 -0.13 -1.58 0.00 0.00 0.00 175.76 174.56 1k56 s TRP 221 N -0.94 1.28 -0.07 0.00 0.52 0.24 -1.34 118.94 118.64 1k56 s TRP 221 Ca 0.12 -0.58 -0.03 0.00 0.02 0.00 0.00 56.10 55.63 1k56 s TRP 221 Cb -0.10 -0.68 0.04 0.00 -1.15 0.00 0.00 33.47 31.58 1k56 s TRP 221 CO 0.04 0.09 0.13 -0.46 0.02 0.00 0.00 176.95 176.77 1k56 s TRP 222 N -2.17 -0.12 0.07 -1.98 -0.00 -0.09 -1.70 118.94 112.95 1k56 s TRP 222 Ca 0.07 0.48 0.03 0.00 -0.00 0.00 0.00 56.10 56.68 1k56 s TRP 222 Cb -0.05 -0.25 -0.03 0.00 -0.00 0.00 0.00 33.47 33.14 1k56 s TRP 222 CO 0.02 -0.22 -0.09 0.14 -0.00 0.00 0.00 176.95 176.80 1k56 s VAL 223 N 1.91 0.75 -4.29 5.86 -7.23 -0.49 -0.15 120.40 116.76 1k56 s VAL 223 Ca -0.01 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1k56 s VAL 223 Cb -0.12 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.70 1k56 s VAL 223 CO -0.05 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.82 1k56 n GLY 224 N 0.84 -0.51 3.24 2.32 0.00 -0.26 -1.36 105.19 109.46 1k56 n GLY 224 Ca -0.18 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1k56 n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k56 s TRP 225 N -3.34 -0.09 -0.11 1.61 -2.14 0.04 -0.81 118.94 114.09 1k56 s TRP 225 Ca 0.00 -0.04 0.03 0.00 2.66 0.00 0.00 56.10 58.75 1k56 s TRP 225 Cb 0.00 0.08 0.01 0.00 -3.10 0.00 0.00 33.47 30.46 1k56 s TRP 225 CO 0.00 -0.49 -0.20 0.08 -2.66 0.00 0.00 176.95 173.68 1k56 s VAL 226 N -2.50 1.84 -0.26 -0.66 1.01 0.18 -1.40 120.40 118.61 1k56 s VAL 226 Ca -0.05 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1k56 s VAL 226 Cb -0.01 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1k56 s VAL 226 CO -0.03 0.51 0.12 -1.61 0.00 0.00 0.00 175.10 174.09 1k56 s GLU 227 N 0.62 3.79 -0.13 2.72 2.02 0.82 -0.84 118.70 127.69 1k56 s GLU 227 Ca -0.13 -0.41 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 1k56 s GLU 227 Cb -0.17 -3.47 0.03 0.00 0.10 0.00 0.00 34.13 30.62 1k56 s GLU 227 CO 0.04 -0.18 -0.08 0.21 0.02 0.00 0.00 175.26 175.26 1k56 s LYS 228 N 1.67 1.64 5.31 1.61 2.20 -0.67 -0.87 119.74 130.63 1k56 s LYS 228 Ca 0.07 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 1k56 s LYS 228 Cb -0.15 -1.74 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 1k56 s LYS 228 CO 0.07 -0.29 0.00 0.39 -0.36 0.00 0.00 175.35 175.16 1k56 n GLU 229 N 4.90 0.00 -0.66 4.03 1.02 -0.31 -1.40 120.64 128.22 1k56 n GLU 229 Ca -0.13 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.09 1k56 n GLU 229 Cb 0.50 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.25 1k56 n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k56 n THR 230 N 0.00 2.45 -4.09 2.62 -2.24 -1.26 -4.95 114.28 106.82 1k56 n THR 230 Ca 0.00 -1.59 -0.24 0.00 -2.27 0.00 0.00 64.05 59.95 1k56 n THR 230 Cb 0.00 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 1k56 n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k56 s GLU 231 N -2.69 2.96 0.01 -0.78 2.56 -0.49 -5.13 118.70 115.14 1k56 s GLU 231 Ca 0.48 -0.93 0.04 0.00 0.00 0.00 0.00 54.97 54.56 1k56 s GLU 231 Cb 0.37 -2.64 -0.01 0.00 2.00 0.00 0.00 34.13 33.85 1k56 s GLU 231 CO 0.13 0.45 -0.11 0.54 -0.56 0.00 0.00 175.26 175.71 1k56 s VAL 232 N -1.92 0.90 -0.07 3.70 0.11 -1.26 -1.67 120.40 120.20 1k56 s VAL 232 Ca 0.32 -0.62 0.01 0.00 -2.93 0.00 0.00 61.98 58.76 1k56 s VAL 232 Cb -0.09 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1k56 s VAL 232 CO 0.24 0.16 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.77 1k56 s TYR 233 N -0.45 1.24 -0.12 1.54 1.51 -0.02 -0.06 117.35 120.99 1k56 s TYR 233 Ca 0.03 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 55.55 1k56 s TYR 233 Cb -0.05 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1k56 s TYR 233 CO 0.00 -0.29 0.15 -0.06 -1.11 0.00 0.00 175.55 174.24 1k56 s PHE 234 N 0.93 3.60 0.02 2.71 0.40 -0.07 -0.64 117.98 124.93 1k56 s PHE 234 Ca -0.10 0.55 -0.06 0.00 -0.60 0.00 0.00 56.93 56.72 1k56 s PHE 234 Cb -0.15 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.40 1k56 s PHE 234 CO 0.01 0.71 0.10 -0.59 0.70 0.00 0.00 175.22 176.15 1k56 s PHE 235 N -0.96 0.15 -0.17 0.36 -0.12 0.01 -0.62 117.98 116.63 1k56 s PHE 235 Ca 0.15 -0.38 -0.10 0.00 -0.05 0.00 0.00 56.93 56.55 1k56 s PHE 235 Cb -0.12 -0.11 0.06 0.00 -0.63 0.00 0.00 43.02 42.21 1k56 s PHE 235 CO 0.04 -0.32 0.42 0.00 -0.05 0.00 0.00 175.22 175.31 1k56 s ALA 236 N -2.08 -1.08 -0.02 1.99 0.00 -0.49 -1.11 121.76 118.97 1k56 s ALA 236 Ca -0.09 1.50 0.05 0.00 0.00 0.00 0.00 51.96 53.42 1k56 s ALA 236 Cb -0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1k56 s ALA 236 CO -0.02 -0.26 -0.17 0.12 0.00 0.00 0.00 175.76 175.43 1k56 s PHE 237 N 1.20 1.58 0.04 0.00 2.19 0.79 -0.25 117.98 123.53 1k56 s PHE 237 Ca -0.08 -0.36 -0.06 0.00 0.33 0.00 0.00 56.93 56.76 1k56 s PHE 237 Cb -0.07 -1.04 -0.01 0.00 -1.31 0.00 0.00 43.02 40.59 1k56 s PHE 237 CO -0.11 -0.08 0.10 0.54 1.83 0.00 0.00 175.22 177.51 1k56 s ASN 238 N -0.22 0.18 0.05 6.13 2.20 -0.76 -0.91 114.94 121.60 1k56 s ASN 238 Ca 0.03 -0.55 -0.15 0.00 -0.94 0.00 0.00 52.86 51.24 1k56 s ASN 238 Cb -0.08 0.24 0.02 0.00 -2.00 0.00 0.00 41.25 39.43 1k56 s ASN 238 CO 0.00 -0.53 0.34 0.00 -2.94 0.00 0.00 177.10 173.97 1k56 s MET 239 N -2.77 0.85 0.21 3.55 0.23 -0.45 -0.58 119.30 120.34 1k56 s MET 239 Ca -0.04 -0.47 -0.30 0.00 -1.03 0.00 0.00 55.69 53.86 1k56 s MET 239 Cb -0.00 0.37 -0.08 0.00 -1.53 0.00 0.00 34.83 33.59 1k56 s MET 239 CO -0.05 -0.28 1.02 -0.51 -2.03 0.00 0.00 175.02 173.17 1k56 s ASP 240 N -2.07 7.43 -0.02 -1.18 1.01 -0.21 -1.27 116.67 120.37 1k56 s ASP 240 Ca -0.05 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.25 1k56 s ASP 240 Cb -0.01 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.34 1k56 s ASP 240 CO -0.03 -0.05 0.02 -0.51 0.21 0.00 0.00 175.17 174.81 1k56 s ILE 241 N -0.74 -0.00 -0.01 0.77 2.07 -0.39 -4.70 121.20 118.20 1k56 s ILE 241 Ca 0.45 0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.88 1k56 s ILE 241 Cb -0.28 -0.12 0.02 0.00 0.13 0.00 0.00 42.46 42.22 1k56 s ILE 241 CO 0.35 0.10 0.80 -0.90 -1.91 0.00 0.00 174.94 173.37 1k56 n ASP 242 N 4.10 1.03 -3.50 4.50 3.85 -1.26 -0.87 116.55 124.41 1k56 n ASP 242 Ca -0.27 -1.66 -0.12 0.00 -0.71 0.00 0.00 54.79 52.03 1k56 n ASP 242 Cb 0.51 -0.05 -0.10 0.00 -1.35 0.00 0.00 41.12 40.13 1k56 n ASP 242 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1k56 s ASN 243 N -0.72 0.39 0.59 -1.12 3.84 -1.26 -4.90 114.94 111.75 1k56 s ASN 243 Ca 0.02 0.36 0.29 0.00 0.21 0.00 0.00 52.86 53.74 1k56 s ASN 243 Cb 0.02 0.93 1.71 0.00 -0.55 0.00 0.00 41.25 43.36 1k56 s ASN 243 CO 0.00 -0.28 2.16 -0.08 -2.79 0.00 0.00 177.10 176.11 1k56 h GLU 244 N 8.23 0.00 0.00 0.43 4.81 -1.97 -2.03 114.58 124.05 1k56 h GLU 244 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1k56 h GLU 244 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1k56 h GLU 244 CO 0.22 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.16 1k56 h SER 245 N 0.00 0.00 0.01 1.04 4.64 -2.04 -2.16 113.55 115.04 1k56 h SER 245 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1k56 h SER 245 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1k56 h SER 245 CO -0.00 0.00 -0.03 0.29 -0.87 0.00 0.00 176.83 176.22 1k56 n LYS 246 N -3.08 1.64 -0.29 4.77 4.76 -0.76 -4.52 118.16 120.68 1k56 n LYS 246 Ca -0.03 -1.01 0.05 0.00 -2.87 0.00 0.00 58.31 54.44 1k56 n LYS 246 Cb 0.07 -1.48 0.19 0.00 -1.84 0.00 0.00 35.03 31.97 1k56 n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1k56 h LEU 247 N 2.47 0.57 -2.05 -0.35 5.85 -1.56 -2.03 115.31 118.21 1k56 h LEU 247 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1k56 h LEU 247 Cb 0.55 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1k56 h LEU 247 CO 0.00 0.29 0.00 -0.65 -0.34 0.00 0.00 178.44 177.74 1k56 h PRO 248 N 0.68 0.00 0.00 5.25 0.11 -1.85 -1.60 132.00 134.60 1k56 h PRO 248 Ca 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.52 1k56 h PRO 248 Cb 0.50 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1k56 h PRO 248 CO -0.30 0.00 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.38 1k56 h LEU 249 N 0.00 0.00 -2.26 2.35 3.38 -1.72 -0.91 115.31 116.15 1k56 h LEU 249 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1k56 h LEU 249 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1k56 h LEU 249 CO 0.00 0.03 -0.05 0.08 0.09 0.00 0.00 178.44 178.59 1k56 h ARG 250 N 0.00 0.00 0.00 1.13 0.11 -1.48 -1.87 114.38 112.26 1k56 h ARG 250 Ca -0.00 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.73 1k56 h ARG 250 Cb 0.18 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.20 1k56 h ARG 250 CO 0.00 0.05 -2.33 1.63 0.10 0.00 0.00 179.97 179.43 1k56 n LYS 251 N -3.63 0.59 -0.14 0.08 5.02 -0.61 -4.37 118.16 115.09 1k56 n LYS 251 Ca -0.02 0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 1k56 n LYS 251 Cb 0.16 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1k56 n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k56 h SER 252 N 0.00 0.94 0.18 4.39 4.64 -1.14 -0.44 113.55 122.12 1k56 h SER 252 Ca -0.52 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.47 1k56 h SER 252 Cb 1.81 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1k56 h SER 252 CO -0.08 1.08 -0.09 0.40 -0.87 0.00 0.00 176.83 177.28 1k56 h ILE 253 N 0.82 0.91 -0.19 0.95 2.04 -1.60 -0.74 117.51 119.70 1k56 h ILE 253 Ca 0.12 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 1k56 h ILE 253 Cb 0.71 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1k56 h ILE 253 CO 0.05 0.11 -0.26 1.55 0.00 0.00 0.00 178.15 179.60 1k56 h PRO 254 N -0.48 0.36 -0.41 2.37 0.13 -1.77 -1.57 132.00 130.63 1k56 h PRO 254 Ca -0.03 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1k56 h PRO 254 Cb 0.37 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 1k56 h PRO 254 CO 0.04 0.60 0.22 1.15 -0.23 0.00 0.00 178.00 179.78 1k56 h THR 255 N 0.32 1.16 -0.92 1.56 2.02 -1.01 0.10 112.91 116.14 1k56 h THR 255 Ca 0.05 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1k56 h THR 255 Cb 0.64 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1k56 h THR 255 CO 0.05 0.17 0.53 0.11 0.37 0.00 0.00 175.52 176.75 1k56 h LYS 256 N 0.53 1.27 -0.18 6.66 1.57 -0.85 0.14 116.57 125.71 1k56 h LYS 256 Ca 0.14 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1k56 h LYS 256 Cb 0.08 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1k56 h LYS 256 CO -0.02 0.91 -0.03 0.82 -0.57 0.00 0.00 179.45 180.55 1k56 h ILE 257 N 1.28 1.28 -0.51 1.86 2.04 -1.01 -1.78 117.51 120.68 1k56 h ILE 257 Ca 0.33 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1k56 h ILE 257 Cb -0.02 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1k56 h ILE 257 CO -0.06 0.29 0.28 0.24 0.00 0.00 0.00 178.15 178.91 1k56 h MET 258 N 0.06 0.70 -0.41 2.37 2.86 -0.36 -2.56 114.93 117.59 1k56 h MET 258 Ca 0.05 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1k56 h MET 258 Cb 0.46 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1k56 h MET 258 CO 0.02 0.54 0.12 0.93 1.06 0.00 0.00 176.91 179.58 1k56 h GLU 259 N 0.68 0.60 0.00 1.72 5.08 -0.67 -0.04 114.58 121.94 1k56 h GLU 259 Ca 0.18 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1k56 h GLU 259 Cb 0.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1k56 h GLU 259 CO -0.03 0.53 0.00 0.66 -1.00 0.00 0.00 179.01 179.17 1k56 h SER 260 N 0.59 0.00 -0.20 1.42 4.64 -0.96 -0.87 113.55 118.18 1k56 h SER 260 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1k56 h SER 260 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1k56 h SER 260 CO -0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.33 1k56 n GLU 261 N -2.94 2.10 -0.82 4.77 -0.58 -0.37 -4.94 120.64 117.86 1k56 n GLU 261 Ca 0.01 -1.64 0.00 0.00 -0.42 0.00 0.00 57.16 55.10 1k56 n GLU 261 Cb 0.28 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1k56 n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k56 n GLY 262 N 1.31 0.57 3.43 0.62 0.00 -0.33 -4.98 105.19 105.80 1k56 n GLY 262 Ca 0.17 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1k56 n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k56 s ILE 263 N -2.00 4.72 0.00 -0.61 1.01 -0.17 -4.98 121.20 119.16 1k56 s ILE 263 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1k56 s ILE 263 Cb 0.00 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.79 1k56 s ILE 263 CO 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 174.94 173.55