#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1csb n SER 51 N 0.00 -1.26 -4.68 6.55 7.64 -1.26 -5.14 113.62 115.48 1csb n SER 51 Ca 0.00 -2.78 -0.42 0.00 1.01 0.00 0.00 58.87 56.68 1csb n SER 51 Cb 0.00 2.36 -0.03 0.00 -1.01 0.00 0.00 64.21 65.53 1csb n SER 51 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1csb s VAL 52 N -2.80 2.80 -0.39 0.44 0.11 -1.26 -4.99 120.40 114.31 1csb s VAL 52 Ca 0.27 0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 59.28 1csb s VAL 52 Cb -0.01 -3.09 0.01 0.00 -1.53 0.00 0.00 36.38 31.76 1csb s VAL 52 CO 0.20 -0.00 0.56 -0.70 -3.33 0.00 0.00 175.10 171.82 1csb s GLU 53 N 3.26 3.46 0.06 1.54 2.12 -1.26 -5.03 118.70 122.85 1csb s GLU 53 Ca 0.81 -0.27 -0.30 0.00 0.36 0.00 0.00 54.97 55.57 1csb s GLU 53 Cb -0.43 -3.87 -0.05 0.00 0.26 0.00 0.00 34.13 30.03 1csb s GLU 53 CO 0.37 -0.79 1.10 0.08 -0.54 0.00 0.00 175.26 175.48 1csb s VAL 54 N 2.53 4.28 -0.39 3.70 1.01 -1.26 -1.25 120.40 129.02 1csb s VAL 54 Ca 0.20 1.70 -0.28 0.00 0.00 0.00 0.00 61.98 63.59 1csb s VAL 54 Cb -0.15 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1csb s VAL 54 CO 0.15 0.16 1.75 -0.55 0.00 0.00 0.00 175.10 176.61 1csb s SER 55 N 0.80 5.85 0.22 3.32 0.15 -0.32 -4.63 113.70 119.09 1csb s SER 55 Ca 0.55 1.06 -0.09 0.00 0.70 0.00 0.00 55.95 58.16 1csb s SER 55 Cb -0.27 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 61.69 1csb s SER 55 CO 0.30 -1.78 1.87 0.00 1.20 0.00 0.00 173.24 174.82 1csb h ALA 56 N 12.89 1.03 0.01 5.45 0.00 -1.84 -2.94 119.26 133.86 1csb h ALA 56 Ca -0.31 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1csb h ALA 56 Cb 1.16 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1csb h ALA 56 CO 1.07 0.49 -0.37 1.49 0.00 0.00 0.00 179.25 181.93 1csb h GLU 57 N 1.11 -0.51 -0.63 0.00 4.57 -1.86 0.26 114.58 117.51 1csb h GLU 57 Ca 0.29 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.63 1csb h GLU 57 Cb -0.06 0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 28.56 1csb h GLU 57 CO -0.06 -0.34 0.14 0.22 -1.18 0.00 0.00 179.01 177.80 1csb h ASP 58 N -0.53 0.02 0.03 1.04 3.58 -1.76 -1.20 116.42 117.60 1csb h ASP 58 Ca 0.05 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 1csb h ASP 58 Cb 0.61 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1csb h ASP 58 CO -0.28 0.01 -0.02 0.25 -2.88 0.00 0.00 179.24 176.32 1csb h LEU 59 N 0.27 -0.04 -1.13 2.28 5.85 -1.43 -2.03 115.31 119.09 1csb h LEU 59 Ca 0.33 -0.53 0.13 0.00 0.84 0.00 0.00 57.88 58.65 1csb h LEU 59 Cb 0.51 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 1csb h LEU 59 CO -0.42 0.53 0.61 0.25 -0.34 0.00 0.00 178.44 179.06 1csb h LEU 60 N -0.62 0.81 0.00 2.25 5.85 -0.70 -1.45 115.31 121.45 1csb h LEU 60 Ca -0.00 0.05 -0.24 0.00 0.84 0.00 0.00 57.88 58.52 1csb h LEU 60 Cb 0.56 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1csb h LEU 60 CO 0.01 0.42 -1.86 0.35 -0.34 0.00 0.00 178.44 177.01 1csb n THR 61 N -4.60 1.19 0.63 1.05 -2.24 -0.48 -4.51 114.28 105.33 1csb n THR 61 Ca 0.18 -0.74 0.06 0.00 -2.27 0.00 0.00 64.05 61.28 1csb n THR 61 Cb 0.40 -0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 1csb n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1csb n GLY 64 N -0.61 -1.20 0.32 0.00 0.00 -1.26 -4.45 105.19 97.99 1csb n GLY 64 Ca -0.11 -1.56 0.09 0.00 0.00 0.00 0.00 46.02 44.44 1csb n GLY 64 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1csb h SER 65 N 1.49 -0.57 -0.74 1.61 0.02 -1.96 0.57 113.55 113.97 1csb h SER 65 Ca 0.00 0.26 0.16 0.00 -0.84 0.00 0.00 61.79 61.37 1csb h SER 65 Cb 0.00 0.48 -0.11 0.00 0.14 0.00 0.00 62.40 62.91 1csb h SER 65 CO 0.00 -0.29 0.16 -0.03 -1.14 0.00 0.00 176.83 175.53 1csb h MET 66 N 0.03 0.24 0.00 3.45 1.85 -2.00 -0.88 114.93 117.62 1csb h MET 66 Ca 0.50 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.57 1csb h MET 66 Cb 0.91 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.88 1csb h MET 66 CO -0.86 0.16 -0.13 0.00 -0.40 0.00 0.00 176.91 175.67 1csb n GLY 68 N 1.39 0.13 2.74 0.00 0.00 -0.34 0.37 105.19 109.50 1csb n GLY 68 Ca 0.06 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 1csb n GLY 68 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1csb n ASP 69 N 0.00 3.96 0.00 1.61 2.03 0.34 -3.91 116.55 120.58 1csb n ASP 69 Ca 0.00 -3.57 0.00 0.00 0.52 0.00 0.00 54.79 51.74 1csb n ASP 69 Cb 0.00 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 1csb n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1csb n GLY 70 N -0.22 1.89 0.00 0.27 0.00 -1.23 -0.31 105.19 105.58 1csb n GLY 70 Ca 0.31 0.34 0.03 0.00 0.00 0.00 0.00 46.02 46.69 1csb n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1csb n ASN 72 N -1.14 2.08 0.00 0.00 2.85 0.57 -4.78 115.26 114.84 1csb n ASN 72 Ca 0.03 -3.79 0.00 0.00 -0.11 0.00 0.00 54.58 50.72 1csb n ASN 72 Cb 0.03 -0.56 0.00 0.00 1.24 0.00 0.00 39.78 40.49 1csb n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1csb n GLY 73 N -1.13 3.26 3.83 8.20 0.00 -1.08 -4.77 105.19 113.51 1csb n GLY 73 Ca 0.24 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 1csb n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1csb s GLY 74 N 0.00 0.06 -0.30 -0.02 0.00 -1.26 -0.50 107.32 105.30 1csb s GLY 74 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.40 1csb s GLY 74 CO 0.00 1.22 0.02 -0.19 0.00 0.00 0.00 173.10 174.14 1csb s TYR 75 N -2.54 3.24 0.28 1.90 2.02 0.16 -4.96 117.35 117.45 1csb s TYR 75 Ca 0.18 -1.71 -0.04 0.00 -0.37 0.00 0.00 57.07 55.14 1csb s TYR 75 Cb -0.03 -2.14 0.37 0.00 -0.40 0.00 0.00 41.96 39.76 1csb s TYR 75 CO 0.06 -0.77 1.95 -1.35 -1.57 0.00 0.00 175.55 173.87 1csb h PRO 76 N 8.06 1.18 -0.98 -1.71 0.11 -1.99 -1.14 132.00 135.52 1csb h PRO 76 Ca -0.23 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.85 1csb h PRO 76 Cb 1.07 -0.26 -0.06 0.00 0.11 0.00 0.00 31.00 31.86 1csb h PRO 76 CO 0.55 0.78 0.64 0.00 -0.21 0.00 0.00 178.00 179.77 1csb h ALA 77 N 1.44 1.38 -0.11 -0.75 0.00 -1.96 -0.34 119.26 118.92 1csb h ALA 77 Ca 0.33 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1csb h ALA 77 Cb -0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.31 1csb h ALA 77 CO -0.07 0.52 -0.54 0.93 0.00 0.00 0.00 179.25 180.09 1csb h GLU 78 N 1.22 0.30 -0.03 0.00 4.39 -1.68 -2.15 114.58 116.63 1csb h GLU 78 Ca 0.40 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 1csb h GLU 78 Cb 0.04 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1csb h GLU 78 CO -0.13 0.77 0.01 0.00 -1.16 0.00 0.00 179.01 178.50 1csb h ALA 79 N 1.20 0.04 -0.47 3.43 0.00 -0.13 -0.10 119.26 123.23 1csb h ALA 79 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1csb h ALA 79 Cb 1.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1csb h ALA 79 CO 0.09 -0.36 0.22 -1.49 0.00 0.00 0.00 179.25 177.70 1csb h TRP 80 N -0.13 0.65 -0.37 0.00 4.06 -1.03 -2.15 115.95 116.98 1csb h TRP 80 Ca 0.01 -0.02 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 1csb h TRP 80 Cb 0.19 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1csb h TRP 80 CO -0.01 0.49 -0.31 -0.97 -3.56 0.00 0.00 178.44 174.07 1csb h ASN 81 N 0.66 0.85 -0.82 -3.49 -1.24 -1.06 -2.72 115.58 107.76 1csb h ASN 81 Ca 0.17 -0.35 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 1csb h ASN 81 Cb 0.08 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 38.86 1csb h ASN 81 CO -0.02 1.10 0.43 0.15 -1.29 0.00 0.00 177.43 177.79 1csb h PHE 82 N 0.69 1.15 -0.88 0.67 3.57 -0.39 -1.51 116.94 120.24 1csb h PHE 82 Ca 0.08 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1csb h PHE 82 Cb 0.86 -0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 1csb h PHE 82 CO 0.05 0.82 0.54 2.35 -2.23 0.00 0.00 178.31 179.83 1csb h TRP 83 N 1.15 0.99 -0.03 0.41 7.01 -1.16 0.76 115.95 125.09 1csb h TRP 83 Ca 0.29 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.31 1csb h TRP 83 Cb 0.07 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 26.82 1csb h TRP 83 CO 0.01 0.45 -0.01 1.15 -2.79 0.00 0.00 178.44 177.26 1csb h THR 84 N 0.93 1.29 0.42 2.65 2.02 -1.16 -1.43 112.91 117.64 1csb h THR 84 Ca 0.41 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1csb h THR 84 Cb 0.28 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1csb h THR 84 CO -0.21 0.24 -0.20 -0.09 0.37 0.00 0.00 175.52 175.62 1csb h ARG 85 N -0.31 -0.55 0.00 6.66 2.43 -0.36 -3.39 114.38 118.87 1csb h ARG 85 Ca 0.01 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1csb h ARG 85 Cb 0.39 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1csb h ARG 85 CO 0.00 -0.36 -1.43 1.63 -1.51 0.00 0.00 179.97 178.30 1csb n LYS 86 N -4.84 0.61 -0.21 0.20 4.76 0.26 -5.07 118.16 113.87 1csb n LYS 86 Ca -0.07 -0.02 0.03 0.00 -2.87 0.00 0.00 58.31 55.38 1csb n LYS 86 Cb 0.22 -1.69 -0.01 0.00 -1.84 0.00 0.00 35.03 31.72 1csb n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1csb n GLY 87 N 1.22 -1.71 3.06 0.72 0.00 -0.82 -4.89 105.19 102.77 1csb n GLY 87 Ca -0.02 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 1csb n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1csb s LEU 88 N -4.05 1.46 0.70 0.99 1.43 -0.37 -4.70 118.68 114.13 1csb s LEU 88 Ca 0.00 0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1csb s LEU 88 Cb 0.00 0.57 0.10 0.00 0.03 0.00 0.00 46.19 46.89 1csb s LEU 88 CO 0.00 -0.15 0.97 0.68 0.23 0.00 0.00 176.35 178.08 1csb s VAL 89 N -0.35 2.26 0.71 -1.59 -7.23 -1.26 -0.02 120.40 112.92 1csb s VAL 89 Ca -0.04 -0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 59.48 1csb s VAL 89 Cb -0.03 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.19 1csb s VAL 89 CO 0.01 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 174.94 1csb s SER 90 N -4.65 5.41 0.00 4.85 1.04 -1.26 -1.18 113.70 117.91 1csb s SER 90 Ca 0.64 1.22 0.00 0.00 0.48 0.00 0.00 55.95 58.29 1csb s SER 90 Cb -0.07 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1csb s SER 90 CO 0.44 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1csb n GLY 91 N -2.79 1.93 0.00 7.32 0.00 -0.38 -0.86 105.19 110.41 1csb n GLY 91 Ca 0.07 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1csb n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1csb n GLY 92 N 0.00 0.91 3.85 -0.02 0.00 0.19 -3.76 105.19 106.36 1csb n GLY 92 Ca 0.00 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 1csb n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1csb s LEU 93 N 0.00 2.56 0.07 0.99 1.43 -1.26 -1.27 118.68 121.19 1csb s LEU 93 Ca 0.00 1.04 -0.36 0.00 -1.03 0.00 0.00 54.13 53.78 1csb s LEU 93 Cb 0.00 -3.62 -0.15 0.00 0.03 0.00 0.00 46.19 42.45 1csb s LEU 93 CO 0.00 -1.87 1.53 0.00 0.23 0.00 0.00 176.35 176.24 1csb n TYR 94 N -3.33 1.95 -1.35 0.29 9.36 -1.25 -1.78 117.16 121.05 1csb n TYR 94 Ca 0.07 0.42 -0.12 0.00 3.32 0.00 0.00 57.90 61.59 1csb n TYR 94 Cb 0.58 -2.46 -0.05 0.00 -0.63 0.00 0.00 39.34 36.78 1csb n TYR 94 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1csb n GLU 95 N 3.54 -1.38 0.10 2.98 4.07 -1.26 -4.89 120.64 123.81 1csb n GLU 95 Ca 0.19 0.90 0.02 0.00 -0.06 0.00 0.00 57.16 58.21 1csb n GLU 95 Cb 0.23 -5.15 -0.02 0.00 -0.06 0.00 0.00 31.44 26.45 1csb n GLU 95 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1csb h SER 96 N 0.00 0.00 -1.33 4.31 4.64 -1.70 -3.47 113.55 115.99 1csb h SER 96 Ca -0.25 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.69 1csb h SER 96 Cb 1.05 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.02 1csb h SER 96 CO 0.36 0.50 -0.38 1.41 -0.87 0.00 0.00 176.83 177.85 1csb n HIS 97 N -3.07 -0.22 -4.08 4.77 8.25 -1.26 -4.98 115.22 114.63 1csb n HIS 97 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.09 1csb n HIS 97 Cb 0.76 -3.32 -0.10 0.00 1.12 0.00 0.00 29.99 28.45 1csb n HIS 97 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1csb s VAL 98 N -2.76 4.66 0.00 1.59 -7.23 -1.26 -4.99 120.40 110.41 1csb s VAL 98 Ca 0.00 -0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 1csb s VAL 98 Cb 0.00 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.86 1csb s VAL 98 CO 0.00 0.48 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 1csb n GLY 99 N 3.36 -3.42 0.11 2.32 0.00 -1.26 0.56 105.19 106.86 1csb n GLY 99 Ca -0.17 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.60 1csb n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1csb s ARG 101 N -2.40 1.12 0.84 0.00 0.52 -0.04 0.02 118.95 119.02 1csb s ARG 101 Ca -0.18 -2.04 -0.11 0.00 -0.52 0.00 0.00 55.73 52.88 1csb s ARG 101 Cb 0.02 -1.91 0.10 0.00 0.52 0.00 0.00 34.95 33.68 1csb s ARG 101 CO 0.76 -1.26 1.13 -2.14 0.02 0.00 0.00 175.30 173.81 1csb s PRO 102 N 0.21 1.61 0.35 3.54 0.02 -1.26 -4.32 135.00 135.15 1csb s PRO 102 Ca 0.24 1.41 -0.29 0.00 0.02 0.00 0.00 61.00 62.38 1csb s PRO 102 Cb -0.12 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.49 1csb s PRO 102 CO -0.08 -2.17 1.45 -0.47 -0.33 0.00 0.00 177.00 175.40 1csb s TYR 103 N -2.71 2.75 -1.34 6.54 5.04 -0.40 -4.78 117.35 122.46 1csb s TYR 103 Ca 0.65 1.18 0.16 0.00 -2.44 0.00 0.00 57.07 56.62 1csb s TYR 103 Cb -0.21 -3.93 -0.02 0.00 0.35 0.00 0.00 41.96 38.15 1csb s TYR 103 CO 0.56 -2.75 0.81 -1.13 -1.34 0.00 0.00 175.55 171.70 1csb n SER 104 N 0.85 1.48 -4.58 4.32 3.41 -1.26 -3.88 113.62 113.96 1csb n SER 104 Ca 0.02 -1.24 -0.40 0.00 -0.26 0.00 0.00 58.87 56.99 1csb n SER 104 Cb 0.40 0.54 -0.09 0.00 -0.26 0.00 0.00 64.21 64.79 1csb n SER 104 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1csb s ILE 105 N -1.93 5.16 0.71 -1.33 1.01 -1.26 -5.02 121.20 118.54 1csb s ILE 105 Ca 0.12 0.40 -0.16 0.00 0.00 0.00 0.00 60.65 61.01 1csb s ILE 105 Cb 0.12 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1csb s ILE 105 CO 0.42 0.06 1.00 -0.81 0.00 0.00 0.00 174.94 175.62 1csb n PRO 106 N 5.37 0.57 -1.68 2.79 -0.04 -1.26 -4.78 135.00 135.97 1csb n PRO 106 Ca -0.08 0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 63.34 1csb n PRO 106 Cb 0.50 -2.25 0.12 0.00 -0.04 0.00 0.00 33.50 31.83 1csb n PRO 106 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1csb s PRO 107 N -3.33 1.35 0.27 0.54 0.04 -1.26 -5.08 135.00 127.53 1csb s PRO 107 Ca 0.74 0.17 -0.20 0.00 0.04 0.00 0.00 61.00 61.75 1csb s PRO 107 Cb -0.35 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1csb s PRO 107 CO 0.49 -2.03 0.84 0.00 0.04 0.00 0.00 177.00 176.34 1csb s GLU 109 N -3.01 3.79 -0.99 0.00 0.41 -0.42 -4.78 118.70 113.70 1csb s GLU 109 Ca 0.14 0.43 -0.16 0.00 -0.41 0.00 0.00 54.97 54.97 1csb s GLU 109 Cb -0.04 -3.80 0.17 0.00 -1.78 0.00 0.00 34.13 28.68 1csb s GLU 109 CO 0.07 -0.88 1.13 -1.01 -0.49 0.00 0.00 175.26 174.07 1csb s HIS 110 N 3.25 3.46 -1.63 1.61 3.76 -1.26 -2.35 115.29 122.11 1csb s HIS 110 Ca 0.34 -1.82 0.00 0.00 -0.15 0.00 0.00 55.06 53.43 1csb s HIS 110 Cb -0.13 -4.15 0.00 0.00 1.11 0.00 0.00 32.58 29.41 1csb s HIS 110 CO 0.17 -1.31 0.00 0.72 -0.85 0.00 0.00 174.74 173.47 1csb n HIS 111 N 5.43 -0.02 -4.33 1.40 8.25 -1.26 -4.94 115.22 119.75 1csb n HIS 111 Ca 0.25 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.54 1csb n HIS 111 Cb 0.46 -2.72 -0.10 0.00 1.12 0.00 0.00 29.99 28.75 1csb n HIS 111 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1csb s VAL 112 N -2.58 0.69 -0.17 1.59 -7.23 -1.26 -4.93 120.40 106.51 1csb s VAL 112 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.10 1csb s VAL 112 Cb 0.00 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1csb s VAL 112 CO 0.00 -0.07 0.04 0.54 -0.31 0.00 0.00 175.10 175.29 1csb s ASN 113 N -3.32 5.41 0.00 4.85 6.03 -1.26 -4.85 114.94 121.79 1csb s ASN 113 Ca 0.36 0.03 0.00 0.00 -1.03 0.00 0.00 52.86 52.21 1csb s ASN 113 Cb 0.08 -1.92 0.00 0.00 -3.03 0.00 0.00 41.25 36.38 1csb s ASN 113 CO 0.13 0.17 0.00 0.61 -2.03 0.00 0.00 177.10 175.98 1csb n GLY 114 N 3.52 3.26 0.09 0.45 0.00 -1.26 -5.06 105.19 106.19 1csb n GLY 114 Ca -0.17 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 44.81 1csb n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1csb n SER 115 N -0.97 0.63 -4.78 1.61 7.64 -1.26 -4.94 113.62 111.54 1csb n SER 115 Ca 0.00 0.24 -0.34 0.00 1.01 0.00 0.00 58.87 59.78 1csb n SER 115 Cb 0.00 0.84 0.01 0.00 -1.01 0.00 0.00 64.21 64.05 1csb n SER 115 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1csb s ARG 116 N -3.38 3.30 0.58 1.43 0.52 -1.26 -4.99 118.95 115.15 1csb s ARG 116 Ca -0.03 1.47 -0.20 0.00 -0.52 0.00 0.00 55.73 56.46 1csb s ARG 116 Cb 0.11 -2.01 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 1csb s ARG 116 CO 0.82 -0.87 1.30 -1.25 0.02 0.00 0.00 175.30 175.33 1csb s PRO 117 N -3.55 2.95 0.71 3.54 0.04 -1.26 -4.28 135.00 133.14 1csb s PRO 117 Ca 0.69 2.08 -0.13 0.00 0.04 0.00 0.00 61.00 63.69 1csb s PRO 117 Cb -0.21 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1csb s PRO 117 CO 0.30 -1.30 1.11 -1.25 0.04 0.00 0.00 177.00 175.90 1csb s PRO 118 N -3.13 2.53 0.33 0.56 0.04 -1.26 -1.30 135.00 132.77 1csb s PRO 118 Ca 0.76 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.86 1csb s PRO 118 Cb -0.37 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1csb s PRO 118 CO 0.42 -1.45 1.11 0.00 0.04 0.00 0.00 177.00 177.12 1csb n THR 120 N 0.74 3.47 -2.89 0.00 -2.24 -1.26 -4.99 114.28 107.11 1csb n THR 120 Ca 0.01 -5.57 0.00 0.00 -2.27 0.00 0.00 64.05 56.22 1csb n THR 120 Cb 0.46 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 1csb n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1csb n GLY 121 N 0.20 3.19 3.18 3.38 0.00 -1.26 -4.54 105.19 109.34 1csb n GLY 121 Ca 0.32 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1csb n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1csb s GLU 122 N 0.00 3.08 0.00 1.61 2.02 -1.26 -5.11 118.70 119.04 1csb s GLU 122 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1csb s GLU 122 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1csb s GLU 122 CO 0.00 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1csb n GLY 123 N 4.40 1.43 3.76 -1.39 0.00 -1.26 -5.05 105.19 107.08 1csb n GLY 123 Ca -0.20 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 1csb n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1csb s ASP 124 N -1.00 6.80 0.03 1.61 1.01 -1.26 -4.86 116.67 119.00 1csb s ASP 124 Ca 0.00 0.95 -0.30 0.00 0.71 0.00 0.00 52.55 53.90 1csb s ASP 124 Cb 0.00 -2.30 -0.07 0.00 1.01 0.00 0.00 42.92 41.56 1csb s ASP 124 CO 0.00 0.11 1.57 -0.89 0.21 0.00 0.00 175.17 176.17 1csb s THR 125 N -0.01 3.30 0.86 -1.27 2.01 -1.26 -4.95 115.64 114.33 1csb s THR 125 Ca 0.27 0.70 -0.11 0.00 0.31 0.00 0.00 61.69 62.86 1csb s THR 125 Cb -0.16 -3.45 0.11 0.00 0.01 0.00 0.00 72.50 69.01 1csb s THR 125 CO 0.13 -0.01 1.11 -2.84 -0.69 0.00 0.00 174.62 172.32 1csb s PRO 126 N 2.71 1.49 0.78 4.92 0.02 -1.26 -5.00 135.00 138.65 1csb s PRO 126 Ca 0.71 1.26 -0.12 0.00 0.02 0.00 0.00 61.00 62.87 1csb s PRO 126 Cb -0.36 -1.80 0.06 0.00 0.02 0.00 0.00 34.50 32.41 1csb s PRO 126 CO 0.30 -2.21 1.12 -1.59 -0.33 0.00 0.00 177.00 174.29 1csb s LYS 127 N -4.79 2.22 -0.55 5.54 0.00 -1.26 -4.66 119.74 116.24 1csb s LYS 127 Ca 0.64 0.41 -0.24 0.00 0.00 0.00 0.00 55.97 56.78 1csb s LYS 127 Cb -0.20 -1.95 0.04 0.00 0.00 0.00 0.00 37.83 35.72 1csb s LYS 127 CO 0.57 -1.47 0.95 0.00 0.00 0.00 0.00 175.35 175.40 1csb s SER 129 N 2.87 5.52 -0.93 0.00 0.01 -1.26 -4.98 113.70 114.92 1csb s SER 129 Ca 0.30 -1.09 -0.06 0.00 1.31 0.00 0.00 55.95 56.42 1csb s SER 129 Cb -0.13 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 1csb s SER 129 CO 0.19 -0.36 2.84 0.29 0.41 0.00 0.00 173.24 176.61 1csb n LYS 130 N 4.90 3.37 -3.77 12.44 5.02 -1.26 -4.79 118.16 134.08 1csb n LYS 130 Ca -0.12 -2.45 -0.13 0.00 -2.02 0.00 0.00 58.31 53.59 1csb n LYS 130 Cb 0.45 -2.43 -0.09 0.00 -0.02 0.00 0.00 35.03 32.94 1csb n LYS 130 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1csb s ILE 131 N -0.30 0.06 0.62 -0.18 2.07 -1.26 -4.87 121.20 117.33 1csb s ILE 131 Ca 0.61 -0.49 -0.05 0.00 -1.41 0.00 0.00 60.65 59.32 1csb s ILE 131 Cb 0.26 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 42.27 1csb s ILE 131 CO -0.10 -0.27 0.91 0.00 -1.91 0.00 0.00 174.94 173.57 1csb s GLU 133 N -5.03 2.06 0.17 0.00 -1.05 0.10 -4.95 118.70 110.00 1csb s GLU 133 Ca 0.56 1.48 -0.30 0.00 -0.15 0.00 0.00 54.97 56.56 1csb s GLU 133 Cb -0.11 -1.85 -0.07 0.00 -0.44 0.00 0.00 34.13 31.66 1csb s GLU 133 CO 0.44 -1.84 1.06 -1.25 0.95 0.00 0.00 175.26 174.62 1csb s PRO 134 N -4.37 4.63 0.00 -4.83 0.04 -1.26 -2.93 135.00 126.27 1csb s PRO 134 Ca 0.68 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1csb s PRO 134 Cb -0.23 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1csb s PRO 134 CO 0.50 0.13 0.00 0.41 0.04 0.00 0.00 177.00 178.08 1csb n GLY 135 N 2.05 0.63 3.46 0.56 0.00 -1.26 -5.09 105.19 105.55 1csb n GLY 135 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1csb n GLY 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1csb s TYR 136 N -2.00 2.61 0.05 1.61 5.04 -1.15 -5.13 117.35 118.38 1csb s TYR 136 Ca 0.00 -0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.41 1csb s TYR 136 Cb 0.00 -1.53 -0.03 0.00 0.35 0.00 0.00 41.96 40.75 1csb s TYR 136 CO 0.00 0.21 -0.05 -1.12 -1.34 0.00 0.00 175.55 173.24 1csb s SER 137 N -1.11 0.72 0.00 4.32 0.01 -1.26 -4.81 113.70 111.57 1csb s SER 137 Ca 0.13 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1csb s SER 137 Cb -0.11 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1csb s SER 137 CO 0.03 -0.37 0.00 -0.81 0.41 0.00 0.00 173.24 172.50 1csb n PRO 138 N 0.83 2.69 -1.05 12.44 -0.04 -1.26 -5.06 135.00 143.54 1csb n PRO 138 Ca -0.19 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 1csb n PRO 138 Cb 0.58 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.21 1csb n PRO 138 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1csb s THR 139 N 0.99 2.34 0.14 0.52 -4.23 -1.26 -4.76 115.64 109.38 1csb s THR 139 Ca 0.00 0.11 -0.18 0.00 -1.18 0.00 0.00 61.69 60.44 1csb s THR 139 Cb 0.00 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 1csb s THR 139 CO 0.00 -0.14 1.76 0.22 -0.54 0.00 0.00 174.62 175.91 1csb h TYR 140 N -1.86 0.22 -0.41 3.99 5.03 -1.93 0.23 116.97 122.24 1csb h TYR 140 Ca -0.53 0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.80 1csb h TYR 140 Cb 1.30 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.51 1csb h TYR 140 CO 0.36 0.11 0.26 -0.22 -1.32 0.00 0.00 178.16 177.35 1csb h LYS 141 N 0.26 0.54 -0.03 1.82 3.11 -1.93 -1.59 116.57 118.75 1csb h LYS 141 Ca 0.13 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.86 1csb h LYS 141 Cb 0.08 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 1csb h LYS 141 CO -0.11 0.38 -0.31 1.96 -2.81 0.00 0.00 179.45 178.55 1csb h GLN 142 N 0.54 0.05 0.00 1.90 4.20 -1.86 -3.01 115.11 116.93 1csb h GLN 142 Ca 0.15 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1csb h GLN 142 Cb -0.04 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1csb h GLN 142 CO -0.03 0.37 0.00 -3.47 -0.67 0.00 0.00 178.83 175.03 1csb n ASP 143 N -4.15 0.00 -4.77 1.46 2.03 0.79 -4.89 116.55 107.02 1csb n ASP 143 Ca -0.02 0.13 -0.40 0.00 0.52 0.00 0.00 54.79 55.01 1csb n ASP 143 Cb 0.37 -0.37 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1csb n ASP 143 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1csb s LYS 144 N -2.73 4.15 -0.16 -0.67 -0.14 -1.02 -4.23 119.74 114.93 1csb s LYS 144 Ca 0.21 2.27 0.01 0.00 -1.36 0.00 0.00 55.97 57.09 1csb s LYS 144 Cb 0.18 -2.93 0.03 0.00 -1.68 0.00 0.00 37.83 33.43 1csb s LYS 144 CO 0.44 -0.38 -0.14 -1.01 -0.76 0.00 0.00 175.35 173.50 1csb s HIS 145 N -1.18 2.27 0.07 3.18 3.76 0.97 -4.81 115.29 119.54 1csb s HIS 145 Ca 0.53 -1.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.09 1csb s HIS 145 Cb -0.40 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 1csb s HIS 145 CO 0.53 -0.70 0.22 0.71 -0.85 0.00 0.00 174.74 174.66 1csb s TYR 146 N 1.45 3.52 0.08 1.40 1.51 -1.26 -1.23 117.35 122.81 1csb s TYR 146 Ca 0.03 0.27 -0.08 0.00 -1.01 0.00 0.00 57.07 56.28 1csb s TYR 146 Cb -0.14 -1.78 -0.06 0.00 -0.11 0.00 0.00 41.96 39.88 1csb s TYR 146 CO -0.10 0.58 0.38 0.20 -1.11 0.00 0.00 175.55 175.49 1csb s GLY 147 N -2.51 2.31 0.03 0.71 0.00 -0.60 -1.83 107.32 105.43 1csb s GLY 147 Ca 0.35 -0.44 -0.18 0.00 0.00 0.00 0.00 44.72 44.46 1csb s GLY 147 CO 0.28 -0.25 1.16 -1.82 0.00 0.00 0.00 173.10 172.47 1csb h TYR 148 N 3.58 0.75 -3.04 1.90 3.20 0.40 -3.37 116.97 120.39 1csb h TYR 148 Ca -0.49 -0.39 0.06 0.00 3.14 0.00 0.00 58.73 61.05 1csb h TYR 148 Cb 1.19 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 1csb h TYR 148 CO 0.66 1.20 0.21 0.54 -1.64 0.00 0.00 178.16 179.13 1csb s ASN 149 N -6.87 -0.27 0.02 -2.11 4.22 -1.17 -4.98 114.94 103.78 1csb s ASN 149 Ca -0.12 -0.60 0.00 0.00 -2.14 0.00 0.00 52.86 50.00 1csb s ASN 149 Cb 0.05 0.71 -0.02 0.00 1.28 0.00 0.00 41.25 43.27 1csb s ASN 149 CO 0.85 -1.32 -0.04 -0.94 -2.04 0.00 0.00 177.10 173.62 1csb s SER 150 N -2.92 0.32 -0.07 3.54 1.04 -1.26 -2.16 113.70 112.19 1csb s SER 150 Ca 0.11 -0.52 -0.31 0.00 0.48 0.00 0.00 55.95 55.71 1csb s SER 150 Cb -0.05 0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.24 1csb s SER 150 CO 0.06 -0.30 0.74 -0.72 0.98 0.00 0.00 173.24 174.01 1csb s TYR 151 N -1.53 -0.60 0.63 5.02 -0.85 0.49 -4.97 117.35 115.54 1csb s TYR 151 Ca -0.15 1.02 -0.12 0.00 -0.52 0.00 0.00 57.07 57.30 1csb s TYR 151 Cb -0.09 0.42 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 1csb s TYR 151 CO -0.01 -0.56 1.04 -1.54 -1.52 0.00 0.00 175.55 172.96 1csb s SER 152 N -1.19 5.92 -0.08 -0.18 1.04 -1.26 -1.26 113.70 116.69 1csb s SER 152 Ca -0.09 1.56 0.01 0.00 0.48 0.00 0.00 55.95 57.91 1csb s SER 152 Cb -0.00 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 1csb s SER 152 CO 0.08 -1.07 -0.09 -0.69 0.98 0.00 0.00 173.24 172.44 1csb s VAL 153 N -2.96 3.46 0.58 5.02 1.01 -0.08 -4.85 120.40 122.58 1csb s VAL 153 Ca 0.58 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 1csb s VAL 153 Cb -0.13 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1csb s VAL 153 CO 0.49 0.57 1.01 -0.24 0.00 0.00 0.00 175.10 176.94 1csb n SER 154 N 2.58 1.03 -2.90 3.32 2.88 -1.26 -4.54 113.62 114.74 1csb n SER 154 Ca -0.18 0.85 -0.25 0.00 -1.33 0.00 0.00 58.87 57.97 1csb n SER 154 Cb 0.53 -1.41 -0.06 0.00 -0.75 0.00 0.00 64.21 62.52 1csb n SER 154 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1csb n ASN 155 N -0.67 6.14 -3.99 -3.46 4.05 -1.26 -4.37 115.26 111.70 1csb n ASN 155 Ca 0.13 -2.40 -0.25 0.00 0.45 0.00 0.00 54.58 52.51 1csb n ASN 155 Cb 0.46 -1.28 -0.17 0.00 1.23 0.00 0.00 39.78 40.03 1csb n ASN 155 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1csb s SER 156 N 2.58 1.87 0.41 1.20 0.01 -1.26 -4.97 113.70 113.53 1csb s SER 156 Ca 0.55 -0.30 0.10 0.00 1.31 0.00 0.00 55.95 57.61 1csb s SER 156 Cb 0.18 -0.83 0.90 0.00 0.21 0.00 0.00 66.02 66.48 1csb s SER 156 CO -0.03 -0.01 2.00 1.05 0.41 0.00 0.00 173.24 176.66 1csb h GLU 157 N 7.30 0.53 -0.70 12.44 4.11 -1.94 0.25 114.58 136.57 1csb h GLU 157 Ca -0.31 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.02 1csb h GLU 157 Cb 1.17 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1csb h GLU 157 CO 0.46 0.35 0.18 -0.22 0.07 0.00 0.00 179.01 179.85 1csb h LYS 158 N 0.55 1.11 -0.00 1.06 1.63 -1.94 0.17 116.57 119.14 1csb h LYS 158 Ca 0.25 -0.26 -0.18 0.00 -0.85 0.00 0.00 60.65 59.61 1csb h LYS 158 Cb 0.28 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 1csb h LYS 158 CO -0.07 0.98 -0.81 -0.44 -3.45 0.00 0.00 179.45 175.65 1csb h ASP 159 N 1.04 0.14 -0.10 4.20 5.19 -1.37 -1.64 116.42 123.88 1csb h ASP 159 Ca 0.22 -0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.41 1csb h ASP 159 Cb 0.36 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1csb h ASP 159 CO 0.00 0.89 -0.38 0.40 -3.12 0.00 0.00 179.24 177.02 1csb h ILE 160 N 0.06 1.39 -0.53 0.35 2.04 -0.15 -2.70 117.51 117.96 1csb h ILE 160 Ca -0.02 -1.73 0.06 0.00 1.00 0.00 0.00 64.86 64.16 1csb h ILE 160 Cb 1.42 2.22 -0.05 0.00 -0.74 0.00 0.00 36.82 39.66 1csb h ILE 160 CO 0.12 0.51 0.25 0.24 0.00 0.00 0.00 178.15 179.27 1csb h MET 161 N -0.01 0.47 -0.27 2.37 2.86 -0.71 -2.00 114.93 117.64 1csb h MET 161 Ca -0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1csb h MET 161 Cb 1.02 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1csb h MET 161 CO 0.08 0.31 0.16 0.00 1.06 0.00 0.00 176.91 178.52 1csb h ALA 162 N 1.31 0.34 -0.22 6.32 0.00 -1.33 -1.95 119.26 123.74 1csb h ALA 162 Ca 0.24 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1csb h ALA 162 Cb 0.19 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1csb h ALA 162 CO -0.19 -0.15 -0.18 1.49 0.00 0.00 0.00 179.25 180.22 1csb h GLU 163 N 0.34 -0.17 -0.12 0.00 4.57 -1.06 0.19 114.58 118.33 1csb h GLU 163 Ca 0.10 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1csb h GLU 163 Cb 0.02 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1csb h GLU 163 CO -0.02 -0.11 0.03 0.82 -1.18 0.00 0.00 179.01 178.54 1csb h ILE 164 N -0.18 0.96 -0.76 2.32 2.04 -1.35 0.30 117.51 120.84 1csb h ILE 164 Ca 0.13 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 66.01 1csb h ILE 164 Cb 0.37 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1csb h ILE 164 CO -0.33 0.01 0.47 0.22 0.00 0.00 0.00 178.15 178.52 1csb h TYR 165 N 0.08 0.87 0.07 1.37 3.20 -0.61 0.61 116.97 122.56 1csb h TYR 165 Ca 0.05 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 1csb h TYR 165 Cb 0.04 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 38.04 1csb h TYR 165 CO -0.11 0.47 -0.50 0.87 -1.64 0.00 0.00 178.16 177.24 1csb h LYS 166 N 0.89 0.21 0.00 1.82 1.57 -0.43 -3.42 116.57 117.21 1csb h LYS 166 Ca 0.32 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1csb h LYS 166 Cb 0.09 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1csb h LYS 166 CO -0.14 1.13 -0.67 0.09 -0.57 0.00 0.00 179.45 179.29 1csb n ASN 167 N -4.31 1.36 0.00 0.86 3.02 0.10 -5.09 115.26 111.20 1csb n ASN 167 Ca -0.12 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 1csb n ASN 167 Cb 0.68 1.11 0.00 0.00 -0.61 0.00 0.00 39.78 40.96 1csb n ASN 167 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1csb n GLY 168 N 1.48 -0.45 3.67 7.41 0.00 0.21 -4.98 105.19 112.53 1csb n GLY 168 Ca 0.00 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 1csb n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1csb n PRO 169 N -0.55 1.74 -4.47 1.61 -0.02 -1.26 -3.74 135.00 128.32 1csb n PRO 169 Ca 0.00 0.62 -0.27 0.00 -2.02 0.00 0.00 63.50 61.84 1csb n PRO 169 Cb 0.00 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.11 1csb n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1csb s VAL 170 N -1.22 2.18 -0.05 -1.45 -7.23 -0.24 -4.94 120.40 107.46 1csb s VAL 170 Ca 0.62 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1csb s VAL 170 Cb -0.52 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 1csb s VAL 170 CO 0.57 -0.06 0.01 -0.70 -0.31 0.00 0.00 175.10 174.62 1csb s GLU 171 N -3.73 2.93 0.27 4.82 2.12 -0.91 0.04 118.70 124.23 1csb s GLU 171 Ca 0.36 -0.49 0.03 0.00 0.36 0.00 0.00 54.97 55.23 1csb s GLU 171 Cb 0.06 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 1csb s GLU 171 CO 0.19 0.67 0.31 0.41 -0.54 0.00 0.00 175.26 176.30 1csb n GLY 172 N 1.76 2.73 3.04 -1.50 0.00 -0.54 -0.20 105.19 110.49 1csb n GLY 172 Ca -0.17 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 1csb n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1csb s ALA 173 N -2.83 -0.14 0.16 4.61 0.00 -1.25 -1.21 121.76 121.10 1csb s ALA 173 Ca 0.28 -0.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 1csb s ALA 173 Cb 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 1csb s ALA 173 CO 0.20 -0.18 0.30 -0.59 0.00 0.00 0.00 175.76 175.49 1csb s PHE 174 N -1.30 0.32 -0.28 0.00 -0.71 -0.53 -3.91 117.98 111.56 1csb s PHE 174 Ca -0.14 -0.69 -0.20 0.00 -1.04 0.00 0.00 56.93 54.86 1csb s PHE 174 Cb -0.08 -0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.70 1csb s PHE 174 CO 0.00 -0.72 0.61 -1.12 -1.34 0.00 0.00 175.22 172.65 1csb s SER 175 N -2.95 6.51 -0.19 1.98 0.01 0.37 -0.89 113.70 118.55 1csb s SER 175 Ca 0.15 0.53 -0.27 0.00 1.31 0.00 0.00 55.95 57.67 1csb s SER 175 Cb 0.03 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 1csb s SER 175 CO -0.01 -0.42 0.93 -0.69 0.41 0.00 0.00 173.24 173.46 1csb s VAL 176 N 2.53 4.79 0.28 3.43 1.01 -0.50 -4.88 120.40 127.07 1csb s VAL 176 Ca 0.25 1.82 0.07 0.00 0.00 0.00 0.00 61.98 64.12 1csb s VAL 176 Cb -0.15 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1csb s VAL 176 CO 0.10 -0.05 0.29 -0.31 0.00 0.00 0.00 175.10 175.13 1csb s TYR 177 N 2.54 3.13 0.29 5.22 1.51 -1.26 -0.37 117.35 128.41 1csb s TYR 177 Ca 0.41 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.35 1csb s TYR 177 Cb -0.16 -1.61 0.71 0.00 -0.11 0.00 0.00 41.96 40.79 1csb s TYR 177 CO 0.11 0.36 1.71 0.77 -1.11 0.00 0.00 175.55 177.38 1csb h SER 178 N 1.29 0.37 0.53 2.29 0.02 -1.71 -2.05 113.55 114.30 1csb h SER 178 Ca -0.48 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1csb h SER 178 Cb 1.24 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1csb h SER 178 CO 0.59 0.03 0.00 -0.90 -1.14 0.00 0.00 176.83 175.41 1csb n ASP 179 N -5.02 0.24 -0.09 3.07 5.75 -1.24 -2.96 116.55 116.31 1csb n ASP 179 Ca 0.22 0.56 -0.14 0.00 -0.01 0.00 0.00 54.79 55.42 1csb n ASP 179 Cb 0.63 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 40.08 1csb n ASP 179 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1csb h PHE 180 N 0.00 1.10 -1.00 2.11 3.57 -1.69 -3.26 116.94 117.76 1csb h PHE 180 Ca 0.00 -0.37 0.21 0.00 3.53 0.00 0.00 57.97 61.34 1csb h PHE 180 Cb 0.27 -0.22 -0.11 0.00 2.79 0.00 0.00 35.95 38.68 1csb h PHE 180 CO 0.00 1.20 0.60 -0.07 -2.23 0.00 0.00 178.31 177.81 1csb h LEU 181 N 0.70 0.74 -0.19 0.59 3.38 -1.69 -0.96 115.31 117.89 1csb h LEU 181 Ca 0.03 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1csb h LEU 181 Cb 1.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1csb h LEU 181 CO 0.11 0.21 0.00 0.18 0.09 0.00 0.00 178.44 179.03 1csb n LEU 182 N -4.82 0.15 -4.71 1.67 4.77 -1.23 -4.90 117.00 107.93 1csb n LEU 182 Ca 0.24 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1csb n LEU 182 Cb 0.63 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1csb n LEU 182 CO 0.19 0.04 0.92 -0.47 -1.33 0.00 0.00 177.39 176.74 1csb s TYR 183 N -1.81 3.39 -0.05 -1.77 6.14 -0.37 -4.91 117.35 117.97 1csb s TYR 183 Ca 0.00 1.24 -0.01 0.00 0.64 0.00 0.00 57.07 58.93 1csb s TYR 183 Cb 0.00 -3.46 -0.03 0.00 0.42 0.00 0.00 41.96 38.89 1csb s TYR 183 CO 0.00 -1.47 -0.06 1.63 0.64 0.00 0.00 175.55 176.30 1csb n LYS 184 N 3.98 0.11 -3.79 4.97 4.76 -1.26 -3.10 118.16 123.83 1csb n LYS 184 Ca 0.09 0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.56 1csb n LYS 184 Cb 0.46 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 1csb n LYS 184 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1csb s SER 185 N -5.01 -0.07 0.00 4.39 1.04 -1.26 -2.36 113.70 110.43 1csb s SER 185 Ca -0.07 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1csb s SER 185 Cb 0.02 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1csb s SER 185 CO 0.10 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1csb n GLY 186 N -0.60 -0.53 3.23 7.32 0.00 -1.26 -4.83 105.19 108.53 1csb n GLY 186 Ca -0.05 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 1csb n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1csb s VAL 187 N 0.00 2.72 0.23 1.61 1.01 -1.26 -4.00 120.40 120.71 1csb s VAL 187 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1csb s VAL 187 Cb 0.00 -2.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 1csb s VAL 187 CO 0.00 0.49 1.23 -0.47 0.00 0.00 0.00 175.10 176.35 1csb s TYR 188 N 1.20 3.36 -0.22 5.22 5.04 0.18 -4.84 117.35 127.28 1csb s TYR 188 Ca 0.02 1.42 -0.03 0.00 -2.44 0.00 0.00 57.07 56.03 1csb s TYR 188 Cb -0.14 -3.49 0.11 0.00 0.35 0.00 0.00 41.96 38.80 1csb s TYR 188 CO -0.05 -1.36 0.32 1.14 -1.34 0.00 0.00 175.55 174.26 1csb s GLN 189 N -0.64 0.28 0.16 4.97 -2.07 -1.26 -1.10 119.66 120.00 1csb s GLN 189 Ca 0.52 0.46 -0.34 0.00 -1.82 0.00 0.00 55.36 54.18 1csb s GLN 189 Cb -0.35 -0.66 -0.14 0.00 -1.09 0.00 0.00 33.01 30.77 1csb s GLN 189 CO 0.40 -0.61 1.56 1.58 -1.32 0.00 0.00 175.29 176.90 1csb n HIS 190 N 5.35 2.25 0.05 9.60 -0.00 -1.26 -4.88 115.22 126.32 1csb n HIS 190 Ca -0.05 0.29 0.00 0.00 -0.00 0.00 0.00 57.72 57.96 1csb n HIS 190 Cb 0.50 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 27.95 1csb n HIS 190 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1csb n VAL 191 N 3.34 0.49 -4.31 3.57 0.31 -1.26 -5.12 118.33 115.34 1csb n VAL 191 Ca 0.17 0.16 -0.27 0.00 -0.01 0.00 0.00 64.34 64.39 1csb n VAL 191 Cb 0.28 -1.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.14 1csb n VAL 191 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1csb s THR 192 N -1.59 2.01 0.00 2.52 -4.23 -1.26 -5.11 115.64 107.98 1csb s THR 192 Ca 0.00 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1csb s THR 192 Cb 0.00 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1csb s THR 192 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1csb n GLY 193 N -1.23 2.16 3.59 3.99 0.00 -1.26 -3.61 105.19 108.84 1csb n GLY 193 Ca -0.05 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 1csb n GLY 193 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1csb s GLU 194 N -1.95 2.59 0.17 1.61 -1.05 -1.26 -4.75 118.70 114.06 1csb s GLU 194 Ca 0.00 -0.69 -0.34 0.00 -0.15 0.00 0.00 54.97 53.80 1csb s GLU 194 Cb 0.00 -2.52 -0.14 0.00 -0.44 0.00 0.00 34.13 31.03 1csb s GLU 194 CO 0.00 0.61 1.46 -0.12 0.95 0.00 0.00 175.26 178.17 1csb n MET 195 N 1.70 1.88 -0.04 -4.83 0.00 -1.26 -2.51 117.12 112.05 1csb n MET 195 Ca -0.16 0.67 -0.04 0.00 -0.00 0.00 0.00 57.70 58.18 1csb n MET 195 Cb 0.53 -2.37 -0.07 0.00 0.00 0.00 0.00 33.22 31.30 1csb n MET 195 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1csb n MET 196 N 2.78 2.43 0.00 2.12 0.00 0.51 -4.93 117.12 120.03 1csb n MET 196 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1csb n MET 196 Cb 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.27 1csb n MET 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1csb n GLY 197 N 2.43 2.18 3.85 3.03 0.00 -1.21 -4.99 105.19 110.47 1csb n GLY 197 Ca -0.13 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 1csb n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1csb s GLY 198 N 0.00 1.90 -0.10 -0.02 0.00 -1.26 -1.41 107.32 106.43 1csb s GLY 198 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.78 1csb s GLY 198 CO 0.00 0.38 0.19 -1.58 0.00 0.00 0.00 173.10 172.09 1csb s HIS 199 N -2.83 -0.25 -0.13 1.90 5.04 -0.07 -4.85 115.29 114.09 1csb s HIS 199 Ca 0.58 0.71 -0.18 0.00 -1.54 0.00 0.00 55.06 54.63 1csb s HIS 199 Cb -0.11 -0.16 -0.04 0.00 0.04 0.00 0.00 32.58 32.30 1csb s HIS 199 CO 0.42 -0.28 0.48 0.00 -2.34 0.00 0.00 174.74 173.02 1csb s ALA 200 N 2.16 3.48 0.37 1.58 0.00 -1.26 -1.46 121.76 126.64 1csb s ALA 200 Ca 0.01 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 51.80 1csb s ALA 200 Cb -0.12 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1csb s ALA 200 CO -0.07 -0.07 0.21 0.96 0.00 0.00 0.00 175.76 176.79 1csb s ILE 201 N 0.79 0.25 -0.27 0.00 -5.25 -0.35 -4.91 121.20 111.46 1csb s ILE 201 Ca 0.26 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 57.89 1csb s ILE 201 Cb -0.15 -2.41 0.03 0.00 2.95 0.00 0.00 42.46 42.88 1csb s ILE 201 CO 0.10 0.00 -0.01 -0.60 -1.79 0.00 0.00 174.94 172.64 1csb s ARG 202 N -3.56 2.83 -0.19 0.37 3.52 -1.15 -1.47 118.95 119.30 1csb s ARG 202 Ca 0.32 -1.00 -0.19 0.00 -0.13 0.00 0.00 55.73 54.74 1csb s ARG 202 Cb 0.02 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.26 1csb s ARG 202 CO 0.22 -0.45 0.53 0.42 -0.81 0.00 0.00 175.30 175.21 1csb s ILE 203 N 1.36 5.10 -0.03 4.11 1.01 0.11 -0.90 121.20 131.96 1csb s ILE 203 Ca -0.00 1.00 0.04 0.00 0.00 0.00 0.00 60.65 61.69 1csb s ILE 203 Cb -0.17 -3.86 0.06 0.00 0.01 0.00 0.00 42.46 38.50 1csb s ILE 203 CO -0.02 0.19 0.94 0.00 0.00 0.00 0.00 174.94 176.05 1csb n LEU 204 N 4.68 1.57 0.00 2.97 -0.00 -0.51 -1.08 117.00 124.63 1csb n LEU 204 Ca -0.04 -1.81 0.00 0.00 -0.00 0.00 0.00 56.01 54.15 1csb n LEU 204 Cb 0.50 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1csb n LEU 204 CO 0.42 0.44 0.00 0.61 -0.00 0.00 0.00 177.39 178.86 1csb n GLY 205 N -0.58 -1.24 3.77 1.47 0.00 -1.20 -4.88 105.19 102.52 1csb n GLY 205 Ca 0.04 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 1csb n GLY 205 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1csb s TRP 206 N -3.00 -0.18 -0.38 1.61 -2.14 -1.26 -0.88 118.94 112.72 1csb s TRP 206 Ca 0.00 -0.17 0.00 0.00 2.66 0.00 0.00 56.10 58.59 1csb s TRP 206 Cb 0.00 0.66 0.00 0.00 -3.10 0.00 0.00 33.47 31.03 1csb s TRP 206 CO 0.00 -0.96 0.00 0.41 -2.66 0.00 0.00 176.95 173.74 1csb n GLY 207 N -0.45 -0.96 2.82 3.67 0.00 -1.15 -4.87 105.19 104.24 1csb n GLY 207 Ca -0.06 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 1csb n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1csb s VAL 208 N -3.00 0.28 -0.21 1.61 1.01 -1.26 -1.65 120.40 117.17 1csb s VAL 208 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1csb s VAL 208 Cb 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 36.05 1csb s VAL 208 CO 0.00 0.18 -0.15 -0.70 0.00 0.00 0.00 175.10 174.43 1csb s GLU 209 N 1.17 2.59 -0.97 2.72 2.12 -0.21 -4.82 118.70 121.30 1csb s GLU 209 Ca -0.08 -1.04 -0.13 0.00 0.36 0.00 0.00 54.97 54.09 1csb s GLU 209 Cb -0.13 -2.68 0.01 0.00 0.26 0.00 0.00 34.13 31.59 1csb s GLU 209 CO -0.02 -0.38 0.66 0.27 -0.54 0.00 0.00 175.26 175.25 1csb n ASN 210 N 4.55 -4.95 0.00 -1.70 6.94 -1.26 -1.21 115.26 117.63 1csb n ASN 210 Ca -0.18 -1.00 0.00 0.00 -0.02 0.00 0.00 54.58 53.39 1csb n ASN 210 Cb 0.46 -2.16 0.00 0.00 -2.36 0.00 0.00 39.78 35.72 1csb n ASN 210 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1csb n GLY 211 N -1.79 1.47 3.54 4.83 0.00 -1.26 -4.93 105.19 107.04 1csb n GLY 211 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1csb n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1csb s THR 212 N -1.33 4.96 0.53 2.61 2.01 -0.35 -5.07 115.64 119.01 1csb s THR 212 Ca 0.00 0.23 -0.19 0.00 0.31 0.00 0.00 61.69 62.04 1csb s THR 212 Cb 0.00 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.40 1csb s THR 212 CO 0.00 -0.34 1.06 -2.16 -0.69 0.00 0.00 174.62 172.48 1csb s PRO 213 N 2.50 3.59 0.31 4.92 0.04 -1.26 -1.04 135.00 144.05 1csb s PRO 213 Ca 0.19 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.43 1csb s PRO 213 Cb -0.15 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1csb s PRO 213 CO 0.15 -0.61 0.64 1.52 0.04 0.00 0.00 177.00 178.74 1csb s TYR 214 N -2.10 0.20 -0.06 0.56 -0.85 -0.66 -2.12 117.35 112.32 1csb s TYR 214 Ca 0.67 -0.66 0.04 0.00 -0.52 0.00 0.00 57.07 56.59 1csb s TYR 214 Cb -0.17 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.65 1csb s TYR 214 CO 0.26 -1.25 -0.16 -1.58 -1.52 0.00 0.00 175.55 171.31 1csb s TRP 215 N -3.42 2.67 -0.20 -3.49 0.52 -0.33 -2.94 118.94 111.76 1csb s TRP 215 Ca 0.18 -0.28 -0.21 0.00 0.02 0.00 0.00 56.10 55.81 1csb s TRP 215 Cb -0.04 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.61 1csb s TRP 215 CO 0.10 0.09 0.65 -1.17 0.02 0.00 0.00 176.95 176.65 1csb s LEU 216 N -0.54 4.13 0.01 2.99 2.96 -0.06 -2.50 118.68 125.68 1csb s LEU 216 Ca 0.07 0.85 0.05 0.00 -0.22 0.00 0.00 54.13 54.88 1csb s LEU 216 Cb -0.11 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 1csb s LEU 216 CO 0.01 -0.30 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.90 1csb s VAL 217 N 2.03 1.19 -0.16 1.68 1.01 0.56 -1.43 120.40 125.29 1csb s VAL 217 Ca 0.29 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1csb s VAL 217 Cb -0.16 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1csb s VAL 217 CO 0.10 0.20 -0.01 0.00 0.00 0.00 0.00 175.10 175.39 1csb s ALA 218 N -0.57 3.10 0.49 5.51 0.00 -0.08 -0.48 121.76 129.74 1csb s ALA 218 Ca 0.04 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.28 1csb s ALA 218 Cb -0.07 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.45 1csb s ALA 218 CO 0.00 0.21 0.67 1.21 0.00 0.00 0.00 175.76 177.85 1csb s ASN 219 N 0.35 5.41 -0.34 0.00 3.84 -0.70 -2.92 114.94 120.58 1csb s ASN 219 Ca -0.02 -0.53 0.07 0.00 0.21 0.00 0.00 52.86 52.59 1csb s ASN 219 Cb -0.14 -0.34 0.45 0.00 -0.55 0.00 0.00 41.25 40.67 1csb s ASN 219 CO 0.02 -1.01 1.16 -1.54 -2.79 0.00 0.00 177.10 172.94 1csb n SER 220 N -2.04 4.73 -1.50 -4.21 3.41 -1.26 -4.74 113.62 108.00 1csb n SER 220 Ca 0.11 -3.68 -0.11 0.00 -0.26 0.00 0.00 58.87 54.92 1csb n SER 220 Cb 0.60 -0.38 0.18 0.00 -0.26 0.00 0.00 64.21 64.35 1csb n SER 220 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1csb n TRP 221 N -0.63 1.71 -2.26 7.33 7.02 -1.26 -5.08 117.44 124.27 1csb n TRP 221 Ca 0.41 -1.77 0.05 0.00 -1.02 0.00 0.00 57.50 55.17 1csb n TRP 221 Cb 0.87 -0.64 -0.01 0.00 -2.42 0.00 0.00 31.31 29.11 1csb n TRP 221 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1csb n ASN 222 N -1.10 -3.16 0.05 -0.99 2.85 -1.26 -4.25 115.26 107.39 1csb n ASN 222 Ca 0.41 0.38 -0.05 0.00 -0.11 0.00 0.00 54.58 55.21 1csb n ASN 222 Cb 1.16 -1.06 -0.09 0.00 1.24 0.00 0.00 39.78 41.03 1csb n ASN 222 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1csb h THR 223 N -0.32 1.21 0.00 -0.44 1.35 -1.94 -3.33 112.91 109.43 1csb h THR 223 Ca 0.01 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.01 1csb h THR 223 Cb 0.32 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1csb h THR 223 CO 0.00 0.69 0.00 -0.90 -0.25 0.00 0.00 175.52 175.06 1csb n ASP 224 N -3.20 0.23 -4.58 5.36 5.68 -1.26 -2.79 116.55 115.98 1csb n ASP 224 Ca -0.04 -1.84 -0.33 0.00 -0.50 0.00 0.00 54.79 52.07 1csb n ASP 224 Cb 0.91 -0.11 -0.11 0.00 -1.14 0.00 0.00 41.12 40.67 1csb n ASP 224 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1csb s TRP 225 N -1.75 2.91 0.00 2.11 -0.00 -1.25 -4.91 118.94 116.04 1csb s TRP 225 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 56.10 56.09 1csb s TRP 225 Cb 0.00 -1.67 0.00 0.00 -0.00 0.00 0.00 33.47 31.80 1csb s TRP 225 CO 0.00 0.34 0.00 0.41 -0.00 0.00 0.00 176.95 177.70 1csb n GLY 226 N 1.97 2.23 3.23 5.86 0.00 -1.18 -0.61 105.19 116.70 1csb n GLY 226 Ca -0.17 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1csb n GLY 226 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1csb n ASP 227 N -0.43 5.09 -2.06 1.61 -0.08 -0.88 -4.39 116.55 115.41 1csb n ASP 227 Ca 0.00 -3.01 -0.19 0.00 -1.51 0.00 0.00 54.79 50.08 1csb n ASP 227 Cb 0.00 -1.56 -0.02 0.00 2.34 0.00 0.00 41.12 41.88 1csb n ASP 227 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1csb n ASN 228 N 5.26 -5.44 0.00 1.67 5.15 -1.24 -2.02 115.26 118.65 1csb n ASN 228 Ca 0.40 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 1csb n ASN 228 Cb 0.40 -4.51 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 1csb n ASN 228 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1csb n GLY 229 N -0.96 0.47 3.86 8.20 0.00 0.23 -4.65 105.19 112.33 1csb n GLY 229 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 1csb n GLY 229 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1csb s PHE 230 N -2.18 2.52 0.03 1.61 0.40 -0.86 -1.72 117.98 117.79 1csb s PHE 230 Ca 0.00 -0.56 -0.27 0.00 -0.60 0.00 0.00 56.93 55.49 1csb s PHE 230 Cb 0.00 -2.10 0.08 0.00 0.51 0.00 0.00 43.02 41.51 1csb s PHE 230 CO 0.00 -0.13 0.71 -0.59 0.70 0.00 0.00 175.22 175.91 1csb s PHE 231 N -2.54 -0.54 -0.07 0.36 -0.71 0.37 -2.08 117.98 112.78 1csb s PHE 231 Ca 0.45 0.63 0.02 0.00 -1.04 0.00 0.00 56.93 56.99 1csb s PHE 231 Cb -0.02 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.26 1csb s PHE 231 CO 0.26 -0.67 -0.09 0.15 -1.34 0.00 0.00 175.22 173.53 1csb s LYS 232 N -2.47 2.71 0.02 1.99 1.02 -1.26 -0.32 119.74 121.42 1csb s LYS 232 Ca -0.03 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.39 1csb s LYS 232 Cb -0.01 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1csb s LYS 232 CO -0.03 0.63 -0.08 -1.50 -0.92 0.00 0.00 175.35 173.45 1csb s ILE 233 N -0.72 0.64 0.04 2.17 2.07 -1.04 0.50 121.20 124.85 1csb s ILE 233 Ca 0.11 -0.63 -0.32 0.00 -1.41 0.00 0.00 60.65 58.40 1csb s ILE 233 Cb -0.11 -0.59 -0.17 0.00 0.13 0.00 0.00 42.46 41.72 1csb s ILE 233 CO 0.01 -0.02 0.81 -0.11 -1.91 0.00 0.00 174.94 173.72 1csb n LEU 234 N 2.33 -0.27 -4.48 8.50 7.94 -0.26 -1.18 117.00 129.58 1csb n LEU 234 Ca -0.17 1.00 -0.32 0.00 -1.11 0.00 0.00 56.01 55.41 1csb n LEU 234 Cb 0.56 -0.80 -0.13 0.00 0.53 0.00 0.00 43.42 43.58 1csb n LEU 234 CO 0.24 -1.88 -0.46 -0.60 -1.11 0.00 0.00 177.39 173.58 1csb s ARG 235 N -0.21 2.39 0.00 1.96 3.52 -0.90 -4.58 118.95 121.13 1csb s ARG 235 Ca 0.73 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1csb s ARG 235 Cb -1.03 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1csb s ARG 235 CO 0.49 0.60 0.00 0.41 -0.81 0.00 0.00 175.30 175.99 1csb n GLY 236 N 2.04 0.71 0.03 8.12 0.00 -1.26 -4.72 105.19 110.12 1csb n GLY 236 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.88 1csb n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1csb n GLN 237 N -2.00 2.31 -3.96 1.61 6.02 -1.26 -4.96 117.38 115.14 1csb n GLN 237 Ca 0.00 -1.80 -0.31 0.00 -0.01 0.00 0.00 57.00 54.89 1csb n GLN 237 Cb 0.00 -1.13 0.02 0.00 1.02 0.00 0.00 30.24 30.14 1csb n GLN 237 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1csb n ASP 238 N -0.77 -4.21 -4.67 1.08 2.03 -1.26 -4.83 116.55 103.92 1csb n ASP 238 Ca 0.05 -0.83 -0.42 0.00 0.52 0.00 0.00 54.79 54.11 1csb n ASP 238 Cb 0.39 -3.67 -0.03 0.00 -0.72 0.00 0.00 41.12 37.09 1csb n ASP 238 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1csb s HIS 239 N -3.34 1.75 -1.97 -0.67 5.65 -1.26 -0.94 115.29 114.50 1csb s HIS 239 Ca 0.62 -0.16 0.00 0.00 0.25 0.00 0.00 55.06 55.78 1csb s HIS 239 Cb -0.32 -4.15 0.00 0.00 -1.18 0.00 0.00 32.58 26.94 1csb s HIS 239 CO 0.85 -4.93 0.00 0.00 -0.65 0.00 0.00 174.74 170.01 1csb n GLY 241 N -0.64 0.31 0.21 0.00 0.00 -0.12 -0.48 105.19 104.47 1csb n GLY 241 Ca -0.22 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.37 1csb n GLY 241 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1csb h ILE 242 N 0.00 1.25 -0.00 -0.61 6.09 -1.51 -2.97 117.51 119.76 1csb h ILE 242 Ca -0.26 -1.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.07 1csb h ILE 242 Cb 1.06 1.49 0.00 0.00 0.47 0.00 0.00 36.82 39.84 1csb h ILE 242 CO 0.32 0.35 -0.66 -0.62 -3.07 0.00 0.00 178.15 174.47 1csb n GLU 243 N -4.14 0.06 0.14 2.19 1.02 -1.26 -4.34 120.64 114.31 1csb n GLU 243 Ca -0.01 -0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.21 1csb n GLU 243 Cb 0.38 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.45 1csb n GLU 243 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1csb h SER 244 N 0.10 0.00 -0.66 1.62 4.64 -1.83 -3.39 113.55 114.04 1csb h SER 244 Ca 0.00 -0.04 -0.46 0.00 -0.47 0.00 0.00 61.79 60.82 1csb h SER 244 Cb 0.51 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.18 1csb h SER 244 CO 0.00 0.02 -0.90 1.21 -0.87 0.00 0.00 176.83 176.29 1csb n GLU 245 N -2.68 3.09 -2.80 4.77 4.07 -1.25 -4.93 120.64 120.91 1csb n GLU 245 Ca 0.03 -3.98 -0.41 0.00 -0.06 0.00 0.00 57.16 52.73 1csb n GLU 245 Cb 0.51 -2.09 -0.04 0.00 -0.06 0.00 0.00 31.44 29.76 1csb n GLU 245 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1csb s VAL 246 N -4.37 4.89 0.04 6.31 1.01 -1.26 -3.79 120.40 123.24 1csb s VAL 246 Ca 0.44 1.89 0.03 0.00 0.00 0.00 0.00 61.98 64.35 1csb s VAL 246 Cb 0.39 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1csb s VAL 246 CO 0.02 0.20 -0.11 0.54 0.00 0.00 0.00 175.10 175.75 1csb s VAL 247 N 0.88 0.80 0.39 2.92 0.11 0.72 -0.90 120.40 125.32 1csb s VAL 247 Ca 0.48 -1.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.37 1csb s VAL 247 Cb -0.20 -0.79 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1csb s VAL 247 CO 0.25 -0.21 0.74 0.00 -3.33 0.00 0.00 175.10 172.56 1csb s ALA 248 N -1.11 -0.39 0.09 1.54 0.00 -0.39 -2.14 121.76 119.37 1csb s ALA 248 Ca -0.04 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.70 1csb s ALA 248 Cb -0.09 0.75 0.08 0.00 0.00 0.00 0.00 23.12 23.86 1csb s ALA 248 CO 0.01 -0.94 0.98 0.20 0.00 0.00 0.00 175.76 176.00 1csb s GLY 249 N -3.12 -0.31 -0.16 0.00 0.00 -1.26 -0.38 107.32 102.08 1csb s GLY 249 Ca 0.19 0.44 -0.03 0.00 0.00 0.00 0.00 44.72 45.32 1csb s GLY 249 CO 0.14 0.11 -0.05 -0.42 0.00 0.00 0.00 173.10 172.88 1csb s ILE 250 N -3.15 3.69 0.43 0.90 1.01 -0.92 -4.97 121.20 118.20 1csb s ILE 250 Ca 0.10 -0.42 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 1csb s ILE 250 Cb -0.01 -2.62 -0.10 0.00 0.01 0.00 0.00 42.46 39.74 1csb s ILE 250 CO -0.01 0.49 1.08 -2.65 0.00 0.00 0.00 174.94 173.84 1csb n PRO 251 N 3.73 1.47 0.19 2.79 -0.02 -1.26 0.95 135.00 142.84 1csb n PRO 251 Ca -0.18 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 1csb n PRO 251 Cb 0.52 -2.14 0.33 0.00 -0.02 0.00 0.00 33.50 32.19 1csb n PRO 251 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1csb h ARG 252 N 1.62 0.00 -0.96 -0.52 2.43 -1.62 -3.37 114.38 111.96 1csb h ARG 252 Ca -0.46 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 58.91 1csb h ARG 252 Cb 1.33 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.69 1csb h ARG 252 CO 0.57 0.34 -0.23 -2.37 -1.51 0.00 0.00 179.97 176.77 1csb n THR 253 N -3.44 -0.41 0.00 0.20 5.66 -1.26 -4.90 114.28 110.13 1csb n THR 253 Ca 0.00 2.21 0.00 0.00 -3.05 0.00 0.00 64.05 63.21 1csb n THR 253 Cb 0.52 -3.06 0.00 0.00 -1.55 0.00 0.00 70.33 66.24 1csb n THR 253 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35