#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r5s s PRO 2 N 0.00 -0.03 -0.06 1.61 0.04 -1.26 -5.09 135.00 130.22 1r5s s PRO 2 Ca 0.00 0.34 -0.05 0.00 0.04 0.00 0.00 61.00 61.33 1r5s s PRO 2 Cb 0.00 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.86 1r5s s PRO 2 CO 0.00 -3.00 0.16 -0.48 0.04 0.00 0.00 177.00 173.72 1r5s s LEU 3 N -6.58 1.32 0.00 -3.56 2.34 -1.26 -4.98 118.68 105.96 1r5s s LEU 3 Ca 0.67 0.33 0.00 0.00 0.06 0.00 0.00 54.13 55.19 1r5s s LEU 3 Cb -0.16 0.55 0.00 0.00 -0.56 0.00 0.00 46.19 46.01 1r5s s LEU 3 CO 0.57 -0.06 0.00 0.61 -1.06 0.00 0.00 176.35 176.41 1r5s n GLY 4 N 3.10 -0.06 2.55 -3.48 0.00 -1.26 -5.02 105.19 101.02 1r5s n GLY 4 Ca -0.14 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1r5s n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r5s n SER 5 N 0.00 -1.54 0.27 1.61 3.41 -1.26 -4.97 113.62 111.13 1r5s n SER 5 Ca 0.00 -3.30 0.18 0.00 -0.26 0.00 0.00 58.87 55.49 1r5s n SER 5 Cb 0.00 1.04 0.97 0.00 -0.26 0.00 0.00 64.21 65.95 1r5s n SER 5 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1r5s h PRO 6 N 3.46 0.00 -0.13 4.33 0.11 -1.95 -0.17 132.00 137.65 1r5s h PRO 6 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1r5s h PRO 6 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1r5s h PRO 6 CO 0.31 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.55 1r5s n SER 7 N -2.75 1.12 -3.23 -2.05 2.88 -1.26 -4.94 113.62 103.40 1r5s n SER 7 Ca -0.02 -1.69 -0.11 0.00 -1.33 0.00 0.00 58.87 55.72 1r5s n SER 7 Cb 0.06 -0.09 0.04 0.00 -0.75 0.00 0.00 64.21 63.47 1r5s n SER 7 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1r5s n LYS 8 N -0.01 -1.76 -1.53 -1.46 4.01 -0.07 -4.72 118.16 112.62 1r5s n LYS 8 Ca 0.14 1.09 -0.25 0.00 -0.51 0.00 0.00 58.31 58.78 1r5s n LYS 8 Cb 0.23 -5.54 -0.12 0.00 -0.51 0.00 0.00 35.03 29.08 1r5s n LYS 8 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1r5s n ASP 9 N -2.56 0.65 -0.08 4.39 5.75 -1.26 -4.75 116.55 118.69 1r5s n ASP 9 Ca -0.05 -0.72 -0.13 0.00 -0.01 0.00 0.00 54.79 53.87 1r5s n ASP 9 Cb 0.57 -1.18 -0.05 0.00 -1.03 0.00 0.00 41.12 39.43 1r5s n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r5s n GLY 11 N 0.20 0.79 1.42 0.00 0.00 -1.26 -5.11 105.19 101.23 1r5s n GLY 11 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1r5s n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r5s n SER 12 N 0.00 -7.70 0.05 1.61 7.64 -1.26 -4.77 113.62 109.19 1r5s n SER 12 Ca 0.00 1.48 -0.05 0.00 1.01 0.00 0.00 58.87 61.31 1r5s n SER 12 Cb 0.00 -4.39 -0.03 0.00 -1.01 0.00 0.00 64.21 58.78 1r5s n SER 12 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1r5s h PRO 13 N 0.64 -0.24 -2.36 1.43 0.11 -2.01 -3.47 132.00 126.11 1r5s h PRO 13 Ca 0.00 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 1r5s h PRO 13 Cb 0.55 0.05 -0.20 0.00 0.11 0.00 0.00 31.00 31.52 1r5s h PRO 13 CO 0.00 -0.16 0.02 0.15 -0.21 0.00 0.00 178.00 177.80 1r5s s LYS 14 N -3.78 0.89 0.00 1.05 -0.14 -1.26 -4.99 119.74 111.51 1r5s s LYS 14 Ca -0.05 0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 1r5s s LYS 14 Cb 0.01 0.41 0.00 0.00 -1.68 0.00 0.00 37.83 36.58 1r5s s LYS 14 CO 0.17 -0.25 0.00 0.98 -0.76 0.00 0.00 175.35 175.49 1r5s n TYR 15 N 1.29 0.00 0.00 3.18 4.19 -1.26 -4.83 117.16 119.73 1r5s n TYR 15 Ca -0.19 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.02 1r5s n TYR 15 Cb 0.57 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.40 1r5s n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1r5s n ALA 16 N 0.00 0.00 -2.00 2.98 0.00 -1.26 -4.57 120.51 115.66 1r5s n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1r5s n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1r5s n ALA 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r5s n TYR 17 N 0.00 0.00 -3.30 0.00 4.01 -1.26 -4.99 117.16 111.62 1r5s n TYR 17 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 1r5s n TYR 17 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1r5s n TYR 17 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1r5s n PHE 18 N 0.00 -1.67 0.00 -0.72 3.01 -1.26 -4.81 117.46 112.01 1r5s n PHE 18 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.73 1r5s n PHE 18 Cb 0.00 -1.39 0.00 0.00 -0.01 0.00 0.00 39.48 38.08 1r5s n PHE 18 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1r5s n ASN 19 N -1.89 0.00 0.00 4.37 4.13 -1.26 -4.90 115.26 115.71 1r5s n ASN 19 Ca 0.04 0.91 0.00 0.00 1.68 0.00 0.00 54.58 57.22 1r5s n ASN 19 Cb 0.48 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 1r5s n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r5s n GLY 20 N -0.97 -0.01 0.05 7.41 0.00 -1.26 -4.97 105.19 105.43 1r5s n GLY 20 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1r5s n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r5s n SER 22 N -2.36 -5.34 -4.60 0.00 2.88 -1.26 -4.91 113.62 98.03 1r5s n SER 22 Ca -0.16 0.29 -0.43 0.00 -1.33 0.00 0.00 58.87 57.24 1r5s n SER 22 Cb 0.77 -4.46 -0.03 0.00 -0.75 0.00 0.00 64.21 59.74 1r5s n SER 22 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1r5s s SER 23 N -2.57 5.96 0.21 -3.46 0.01 -1.26 -4.84 113.70 107.75 1r5s s SER 23 Ca 0.00 1.34 0.16 0.00 1.31 0.00 0.00 55.95 58.76 1r5s s SER 23 Cb 0.00 -2.53 0.80 0.00 0.21 0.00 0.00 66.02 64.50 1r5s s SER 23 CO 0.00 -1.64 1.48 -2.65 0.41 0.00 0.00 173.24 170.84 1r5s n PRO 24 N 8.33 0.10 -0.22 12.44 -0.02 -1.26 -3.77 135.00 150.60 1r5s n PRO 24 Ca 0.22 0.54 -0.05 0.00 -2.02 0.00 0.00 63.50 62.20 1r5s n PRO 24 Cb 0.46 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.11 1r5s n PRO 24 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1r5s n THR 25 N -2.00 -0.34 0.00 3.45 -2.24 -1.26 -4.79 114.28 107.09 1r5s n THR 25 Ca -0.00 1.26 0.00 0.00 -2.27 0.00 0.00 64.05 63.04 1r5s n THR 25 Cb 0.06 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 1r5s n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r5s n ALA 26 N -3.63 0.00 -1.95 6.98 0.00 -1.25 -5.08 120.51 115.58 1r5s n ALA 26 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.22 1r5s n ALA 26 Cb 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 1r5s n ALA 26 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1r5s s PRO 27 N 0.00 2.30 -0.12 0.00 0.02 -1.26 -4.62 135.00 131.33 1r5s s PRO 27 Ca 0.00 -0.42 0.21 0.00 0.02 0.00 0.00 61.00 60.81 1r5s s PRO 27 Cb 0.00 -5.07 0.45 0.00 0.02 0.00 0.00 34.50 29.90 1r5s s PRO 27 CO 0.00 -3.86 1.17 1.28 -0.33 0.00 0.00 177.00 175.26 1r5s n LEU 28 N 15.20 1.75 -3.65 -5.54 4.32 -1.26 -4.86 117.00 122.96 1r5s n LEU 28 Ca 0.42 -2.79 -0.02 0.00 -0.02 0.00 0.00 56.01 53.60 1r5s n LEU 28 Cb 0.46 -0.03 -0.06 0.00 -1.62 0.00 0.00 43.42 42.17 1r5s n LEU 28 CO 0.61 0.91 1.18 -0.94 -1.22 0.00 0.00 177.39 177.93 1r5s s SER 29 N -2.74 -0.03 0.00 -1.43 1.04 -1.26 -5.00 113.70 104.28 1r5s s SER 29 Ca 0.35 0.06 0.12 0.00 0.48 0.00 0.00 55.95 56.95 1r5s s SER 29 Cb 0.37 0.06 0.59 0.00 0.10 0.00 0.00 66.02 67.14 1r5s s SER 29 CO -0.11 -0.02 1.28 -0.81 0.98 0.00 0.00 173.24 174.56 1r5s n PRO 30 N 1.33 0.16 -0.83 4.02 -0.04 -1.26 -4.03 135.00 134.35 1r5s n PRO 30 Ca -0.08 0.18 -0.35 0.00 -0.04 0.00 0.00 63.50 63.21 1r5s n PRO 30 Cb 0.57 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1r5s n PRO 30 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1r5s n MET 31 N -1.29 -0.71 -0.30 0.54 1.56 -1.26 -4.70 117.12 110.97 1r5s n MET 31 Ca 0.05 -0.19 -0.05 0.00 -0.27 0.00 0.00 57.70 57.24 1r5s n MET 31 Cb 0.09 -1.41 -0.04 0.00 2.15 0.00 0.00 33.22 34.02 1r5s n MET 31 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1r5s n SER 32 N 0.67 -0.67 -4.04 6.12 7.64 -1.26 -4.30 113.62 117.78 1r5s n SER 32 Ca 0.00 1.29 -0.30 0.00 1.01 0.00 0.00 58.87 60.87 1r5s n SER 32 Cb 0.65 -0.21 0.11 0.00 -1.01 0.00 0.00 64.21 63.74 1r5s n SER 32 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1r5s n PRO 33 N -4.98 -1.09 -1.53 1.43 -0.04 -1.26 -4.57 135.00 122.97 1r5s n PRO 33 Ca 0.04 -0.31 -0.26 0.00 -0.04 0.00 0.00 63.50 62.93 1r5s n PRO 33 Cb 0.23 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 1r5s n PRO 33 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1r5s n PRO 34 N -0.22 0.41 -0.11 0.54 -0.04 -1.26 -4.69 135.00 129.63 1r5s n PRO 34 Ca 0.00 -0.28 -0.23 0.00 -0.04 0.00 0.00 63.50 62.95 1r5s n PRO 34 Cb 0.59 -2.52 -0.08 0.00 -0.04 0.00 0.00 33.50 31.45 1r5s n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r5s n GLY 35 N 6.23 -0.35 2.54 0.55 0.00 -1.26 -3.98 105.19 108.92 1r5s n GLY 35 Ca 0.54 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 1r5s n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1r5s n TYR 36 N -3.89 -1.42 0.00 1.61 4.01 -1.26 -4.81 117.16 111.40 1r5s n TYR 36 Ca -0.43 0.58 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1r5s n TYR 36 Cb 0.82 -3.80 0.00 0.00 -0.31 0.00 0.00 39.34 36.06 1r5s n TYR 36 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1r5s n LYS 37 N -2.98 0.00 -3.11 -0.72 5.02 -1.26 -4.92 118.16 110.19 1r5s n LYS 37 Ca -0.14 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.81 1r5s n LYS 37 Cb 0.59 -0.22 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 1r5s n LYS 37 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1r5s n LEU 38 N -2.21 5.23 -3.37 -0.35 7.94 -1.26 -4.85 117.00 118.13 1r5s n LEU 38 Ca 0.00 -5.40 -0.17 0.00 -1.11 0.00 0.00 56.01 49.33 1r5s n LEU 38 Cb 0.04 -0.91 0.04 0.00 0.53 0.00 0.00 43.42 43.12 1r5s n LEU 38 CO 0.00 1.99 0.06 0.52 -1.11 0.00 0.00 177.39 178.85 1r5s n VAL 39 N 0.71 -8.04 -2.03 1.96 0.31 -1.26 -4.92 118.33 105.05 1r5s n VAL 39 Ca 0.31 -0.85 -0.33 0.00 -0.01 0.00 0.00 64.34 63.46 1r5s n VAL 39 Cb 0.36 -5.73 0.03 0.00 -0.91 0.00 0.00 33.84 27.59 1r5s n VAL 39 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1r5s n THR 40 N -3.08 3.07 -0.25 2.52 -1.04 -1.26 -4.75 114.28 109.50 1r5s n THR 40 Ca -0.08 -4.31 0.00 0.00 -2.04 0.00 0.00 64.05 57.62 1r5s n THR 40 Cb 0.59 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1r5s n THR 40 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r5s n GLY 41 N -0.59 1.53 1.39 3.41 0.00 -1.26 -4.59 105.19 105.07 1r5s n GLY 41 Ca 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1r5s n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r5s n ASP 42 N 0.29 0.19 -2.23 1.61 9.92 -1.26 -4.85 116.55 120.21 1r5s n ASP 42 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1r5s n ASP 42 Cb 0.05 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.62 1r5s n ASP 42 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1r5s n ARG 43 N -2.41 2.46 -0.08 -1.24 1.74 -1.26 -3.94 116.66 111.93 1r5s n ARG 43 Ca 0.00 -2.95 -0.08 0.00 -0.77 0.00 0.00 57.85 54.04 1r5s n ARG 43 Cb 0.11 -2.16 -0.13 0.00 -1.02 0.00 0.00 32.46 29.26 1r5s n ARG 43 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1r5s n ASN 44 N -0.77 0.96 -0.10 0.55 6.94 -1.26 -4.72 115.26 116.85 1r5s n ASN 44 Ca 0.57 -0.01 -0.16 0.00 -0.02 0.00 0.00 54.58 54.97 1r5s n ASN 44 Cb 0.83 0.86 -0.06 0.00 -2.36 0.00 0.00 39.78 39.04 1r5s n ASN 44 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1r5s n ASN 45 N -2.64 1.88 0.00 0.53 3.02 -1.26 -5.02 115.26 111.77 1r5s n ASN 45 Ca -0.28 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1r5s n ASN 45 Cb 1.04 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1r5s n ASN 45 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1r5s n SER 46 N -4.45 0.00 -3.29 6.41 3.41 -1.26 -5.07 113.62 109.37 1r5s n SER 46 Ca -0.26 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.21 1r5s n SER 46 Cb 0.57 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 1r5s n SER 46 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1r5s n SER 47 N -0.43 -6.69 0.05 4.04 3.41 -1.25 -4.96 113.62 107.78 1r5s n SER 47 Ca 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1r5s n SER 47 Cb 0.00 -3.81 0.00 0.00 -0.26 0.00 0.00 64.21 60.14 1r5s n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r5s n ARG 49 N -3.06 0.00 -1.60 0.00 3.00 -1.26 -5.07 116.66 108.67 1r5s n ARG 49 Ca 0.00 0.00 -0.52 0.00 -0.01 0.00 0.00 57.85 57.32 1r5s n ARG 49 Cb 0.11 -0.58 -0.06 0.00 0.00 0.00 0.00 32.46 31.94 1r5s n ARG 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1r5s n ASN 50 N -2.10 1.72 -2.40 0.55 2.04 -1.26 -4.89 115.26 108.91 1r5s n ASN 50 Ca 0.00 1.11 -0.02 0.00 -0.44 0.00 0.00 54.58 55.24 1r5s n ASN 50 Cb 0.20 -1.19 0.05 0.00 -2.53 0.00 0.00 39.78 36.31 1r5s n ASN 50 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1r5s n TYR 51 N 2.77 1.12 -0.11 -2.53 4.11 -1.26 -4.85 117.16 116.41 1r5s n TYR 51 Ca 0.19 -1.79 -0.24 0.00 -0.00 0.00 0.00 57.90 56.07 1r5s n TYR 51 Cb 0.19 -0.23 -0.11 0.00 -0.00 0.00 0.00 39.34 39.19 1r5s n TYR 51 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1r5s n ASN 52 N -0.40 1.90 -2.66 9.48 6.94 -1.26 -4.98 115.26 124.28 1r5s n ASN 52 Ca 0.11 0.38 -0.20 0.00 -0.02 0.00 0.00 54.58 54.85 1r5s n ASN 52 Cb 0.89 -0.92 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 1r5s n ASN 52 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1r5s n LYS 53 N -4.31 -2.84 -2.14 -3.83 5.02 -1.26 -4.87 118.16 103.92 1r5s n LYS 53 Ca -0.37 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1r5s n LYS 53 Cb 0.76 -5.58 0.00 0.00 -0.02 0.00 0.00 35.03 30.19 1r5s n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r5s n GLN 54 N -3.32 0.02 -3.08 1.97 10.64 -1.26 -5.06 117.38 117.29 1r5s n GLN 54 Ca -0.17 -0.10 -0.10 0.00 -1.83 0.00 0.00 57.00 54.80 1r5s n GLN 54 Cb 0.64 0.16 0.05 0.00 -0.86 0.00 0.00 30.24 30.23 1r5s n GLN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1r5s n ALA 55 N -2.73 -2.37 0.00 2.61 0.00 -1.26 -4.90 120.51 111.86 1r5s n ALA 55 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1r5s n ALA 55 Cb 0.08 -4.41 0.00 0.00 0.00 0.00 0.00 19.45 15.11 1r5s n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r5s n SER 56 N -2.75 0.00 0.00 0.00 3.41 -1.26 -5.06 113.62 107.95 1r5s n SER 56 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1r5s n SER 56 Cb 0.58 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1r5s n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r5s n GLU 57 N -1.71 0.00 -1.99 4.33 1.02 -1.26 -4.67 120.64 116.36 1r5s n GLU 57 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1r5s n GLU 57 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1r5s n GLU 57 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1r5s n GLN 58 N 0.00 -1.65 -1.14 3.49 1.13 -1.26 -4.84 117.38 113.11 1r5s n GLN 58 Ca 0.00 0.95 -0.19 0.00 -1.94 0.00 0.00 57.00 55.83 1r5s n GLN 58 Cb 0.00 -5.45 0.16 0.00 0.11 0.00 0.00 30.24 25.06 1r5s n GLN 58 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1r5s n ASN 59 N -1.51 3.92 0.00 1.08 0.23 -1.26 -4.33 115.26 113.39 1r5s n ASN 59 Ca -0.20 -3.71 0.00 0.00 -0.53 0.00 0.00 54.58 50.14 1r5s n ASN 59 Cb 0.62 -0.76 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 1r5s n ASN 59 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 1r5s n TRP 60 N -1.08 0.00 -1.20 -2.53 4.27 -1.26 -5.13 117.44 110.50 1r5s n TRP 60 Ca 0.50 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 54.11 1r5s n TRP 60 Cb 1.26 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 31.21 1r5s n TRP 60 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1r5s n ALA 61 N -1.34 -2.86 -2.00 -1.67 0.00 -1.26 -4.62 120.51 106.75 1r5s n ALA 61 Ca 0.00 0.07 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 1r5s n ALA 61 Cb 0.27 -0.22 0.03 0.00 0.00 0.00 0.00 19.45 19.53 1r5s n ALA 61 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1r5s n ASN 62 N 0.26 7.46 -0.12 0.00 0.23 -1.26 -4.10 115.26 117.73 1r5s n ASN 62 Ca -0.00 -3.77 -0.26 0.00 -0.53 0.00 0.00 54.58 50.02 1r5s n ASN 62 Cb 0.00 -1.10 -0.09 0.00 -2.08 0.00 0.00 39.78 36.52 1r5s n ASN 62 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1r5s n TYR 63 N -0.36 0.00 -2.02 -2.53 4.02 -1.26 -4.88 117.16 110.13 1r5s n TYR 63 Ca 0.53 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 58.37 1r5s n TYR 63 Cb 0.25 -0.87 -0.04 0.00 -0.02 0.00 0.00 39.34 38.66 1r5s n TYR 63 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1r5s n SER 64 N -4.09 -0.60 -2.92 7.72 7.64 -1.26 -4.99 113.62 115.12 1r5s n SER 64 Ca -0.48 -1.68 -0.15 0.00 1.01 0.00 0.00 58.87 57.58 1r5s n SER 64 Cb 0.84 0.18 -0.01 0.00 -1.01 0.00 0.00 64.21 64.21 1r5s n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r5s n ALA 65 N 0.02 -0.96 -0.02 -0.43 0.00 -1.26 -4.76 120.51 113.09 1r5s n ALA 65 Ca -0.17 0.05 0.24 0.00 0.00 0.00 0.00 53.44 53.55 1r5s n ALA 65 Cb 0.65 -1.74 0.71 0.00 0.00 0.00 0.00 19.45 19.07 1r5s n ALA 65 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1r5s h GLU 66 N -0.39 0.00 0.22 0.00 4.11 -1.88 -0.74 114.58 115.90 1r5s h GLU 66 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 1r5s h GLU 66 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1r5s h GLU 66 CO 0.36 0.00 -0.11 1.96 0.07 0.00 0.00 179.01 181.29 1r5s h GLN 67 N 0.00 -0.29 -0.70 1.06 1.08 -1.86 -1.41 115.11 113.00 1r5s h GLN 67 Ca 0.29 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.63 1r5s h GLN 67 Cb 1.45 0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 28.86 1r5s h GLN 67 CO -0.00 -0.12 0.27 -0.91 -0.95 0.00 0.00 178.83 177.12 1r5s h ASN 68 N -0.39 0.26 -0.53 1.46 4.21 -1.50 0.58 115.58 119.66 1r5s h ASN 68 Ca -0.03 0.10 0.09 0.00 1.21 0.00 0.00 56.30 57.66 1r5s h ASN 68 Cb 0.30 0.07 -0.07 0.00 -1.12 0.00 0.00 38.32 37.50 1r5s h ASN 68 CO 0.05 0.12 0.14 0.03 -1.29 0.00 0.00 177.43 176.49 1r5s h ARG 69 N 0.44 0.28 -0.10 0.81 -0.00 -1.33 0.67 114.38 115.15 1r5s h ARG 69 Ca 0.37 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.98 59.72 1r5s h ARG 69 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.40 1r5s h ARG 69 CO -0.36 0.19 -0.45 1.98 0.00 0.00 0.00 179.97 181.32 1r5s h MET 70 N 0.29 0.24 -0.42 0.04 4.05 0.27 -1.44 114.93 117.96 1r5s h MET 70 Ca 0.27 -0.12 0.09 0.00 -0.28 0.00 0.00 59.70 59.65 1r5s h MET 70 Cb 0.35 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.07 1r5s h MET 70 CO -0.32 0.65 -0.13 0.78 0.23 0.00 0.00 176.91 178.12 1r5s h GLY 71 N 1.28 0.26 0.87 1.39 0.00 0.23 0.59 103.07 107.70 1r5s h GLY 71 Ca 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1r5s h GLY 71 CO 0.07 -0.17 -0.30 1.46 0.00 0.00 0.00 176.54 177.60 1r5s h GLN 72 N -0.03 -0.80 -1.61 4.80 4.20 -1.14 -0.31 115.11 120.22 1r5s h GLN 72 Ca 0.20 0.05 0.48 0.00 0.06 0.00 0.00 58.65 59.45 1r5s h GLN 72 Cb 0.34 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 1r5s h GLN 72 CO -0.45 -0.49 1.14 0.00 -0.67 0.00 0.00 178.83 178.36 1r5s n ALA 73 N -2.54 1.55 -0.04 3.87 0.00 -0.56 0.14 120.51 122.93 1r5s n ALA 73 Ca -0.12 0.58 0.02 0.00 0.00 0.00 0.00 53.44 53.92 1r5s n ALA 73 Cb 0.36 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.71 1r5s n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r5s n GLY 74 N -1.73 -0.85 0.07 0.00 0.00 0.10 -4.64 105.19 98.15 1r5s n GLY 74 Ca 0.37 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1r5s n GLY 74 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1r5s h SER 75 N 0.00 0.00 0.00 1.61 0.87 0.30 -3.46 113.55 112.86 1r5s h SER 75 Ca -0.20 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1r5s h SER 75 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1r5s h SER 75 CO 0.01 0.95 0.00 0.35 -0.53 0.00 0.00 176.83 177.61 1r5s n THR 76 N -4.61 0.00 0.00 2.23 -2.24 0.17 -4.79 114.28 105.04 1r5s n THR 76 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1r5s n THR 76 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1r5s n THR 76 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1r5s n ILE 77 N 0.00 0.00 0.56 2.28 5.41 -1.26 -0.86 119.36 125.49 1r5s n ILE 77 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 1r5s n ILE 77 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 1r5s n ILE 77 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1r5s n SER 78 N 1.55 0.59 -3.44 4.38 2.88 -1.26 -4.61 113.62 113.70 1r5s n SER 78 Ca 0.00 -0.36 -0.26 0.00 -1.33 0.00 0.00 58.87 56.92 1r5s n SER 78 Cb 0.00 1.08 -0.09 0.00 -0.75 0.00 0.00 64.21 64.44 1r5s n SER 78 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1r5s n ASN 79 N -1.91 0.91 0.08 -3.46 2.85 -0.04 -4.89 115.26 108.81 1r5s n ASN 79 Ca 0.01 -2.76 0.08 0.00 -0.11 0.00 0.00 54.58 51.81 1r5s n ASN 79 Cb 0.44 -0.63 -0.02 0.00 1.24 0.00 0.00 39.78 40.80 1r5s n ASN 79 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1r5s n SER 80 N 2.02 0.84 0.00 1.20 3.41 -1.26 -4.35 113.62 115.47 1r5s n SER 80 Ca 0.26 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1r5s n SER 80 Cb 0.46 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1r5s n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r5s n HIS 81 N -2.73 0.00 -2.67 7.33 1.44 -1.26 -5.00 115.22 112.33 1r5s n HIS 81 Ca -0.03 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.63 1r5s n HIS 81 Cb 0.63 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.73 1r5s n HIS 81 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1r5s n ALA 82 N 0.00 -0.99 -0.06 1.59 0.00 -1.26 -4.79 120.51 115.00 1r5s n ALA 82 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1r5s n ALA 82 Cb 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 1r5s n ALA 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r5s n GLN 83 N -2.69 0.64 0.21 0.00 6.02 -1.26 -1.82 117.38 118.48 1r5s n GLN 83 Ca -0.01 0.46 0.12 0.00 -0.01 0.00 0.00 57.00 57.55 1r5s n GLN 83 Cb 0.51 -1.73 0.16 0.00 1.02 0.00 0.00 30.24 30.20 1r5s n GLN 83 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1r5s h PRO 84 N -0.60 0.00 0.00 -1.09 0.13 -1.99 -3.36 132.00 125.10 1r5s h PRO 84 Ca -0.38 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.59 1r5s h PRO 84 Cb 1.58 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.69 1r5s h PRO 84 CO -0.10 0.00 -1.57 1.19 -0.23 0.00 0.00 178.00 177.28 1r5s n PHE 85 N -3.04 0.00 -2.72 1.56 3.72 -1.26 -4.99 117.46 110.73 1r5s n PHE 85 Ca 0.04 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.36 1r5s n PHE 85 Cb 0.53 -0.40 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 1r5s n PHE 85 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1r5s n ASP 86 N -2.52 -1.91 -0.00 4.37 5.68 -0.75 -4.81 116.55 116.60 1r5s n ASP 86 Ca -0.15 0.23 -0.12 0.00 -0.50 0.00 0.00 54.79 54.24 1r5s n ASP 86 Cb 0.74 -1.72 -0.07 0.00 -1.14 0.00 0.00 41.12 38.93 1r5s n ASP 86 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1r5s h PHE 87 N -0.14 0.09 -1.42 2.11 0.04 -1.91 -3.45 116.94 112.27 1r5s h PHE 87 Ca -0.15 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1r5s h PHE 87 Cb 1.10 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1r5s h PHE 87 CO 0.82 0.22 0.00 -0.35 -0.60 0.00 0.00 178.31 178.41 1r5s n PRO 88 N -4.95 -0.35 -0.82 1.51 -0.04 -1.26 -4.89 135.00 124.20 1r5s n PRO 88 Ca -0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 1r5s n PRO 88 Cb 0.11 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.60 1r5s n PRO 88 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1r5s n ASP 89 N -2.34 6.21 -3.86 3.54 8.00 -1.26 -4.65 116.55 122.18 1r5s n ASP 89 Ca 0.00 -2.94 -0.28 0.00 0.71 0.00 0.00 54.79 52.28 1r5s n ASP 89 Cb 0.00 -1.06 -0.12 0.00 -0.02 0.00 0.00 41.12 39.92 1r5s n ASP 89 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1r5s s ASP 90 N 0.49 4.55 0.00 -2.24 1.01 -1.26 -4.48 116.67 114.74 1r5s s ASP 90 Ca 0.25 -3.77 0.00 0.00 0.71 0.00 0.00 52.55 49.75 1r5s s ASP 90 Cb 0.20 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.59 1r5s s ASP 90 CO -0.00 -0.10 0.00 -3.20 0.21 0.00 0.00 175.17 172.08 1r5s n ASN 91 N 2.07 0.00 0.20 0.27 5.15 -1.26 -4.72 115.26 116.98 1r5s n ASN 91 Ca 0.20 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.07 1r5s n ASN 91 Cb 0.36 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.55 1r5s n ASN 91 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1r5s h GLN 92 N 0.00 -0.62 0.00 1.20 4.20 -1.93 -1.43 115.11 116.53 1r5s h GLN 92 Ca 0.00 0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1r5s h GLN 92 Cb 0.00 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1r5s h GLN 92 CO 0.00 -0.42 -0.13 -2.95 -0.67 0.00 0.00 178.83 174.66 1r5s h ASN 93 N -0.65 0.00 -0.64 1.46 7.08 -1.95 -1.39 115.58 119.49 1r5s h ASN 93 Ca -0.05 0.00 0.03 0.00 -3.08 0.00 0.00 56.30 53.20 1r5s h ASN 93 Cb 0.55 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.75 1r5s h ASN 93 CO -0.01 0.13 0.40 0.00 -2.08 0.00 0.00 177.43 175.87 1r5s h ALA 94 N 1.87 0.83 0.18 4.14 0.00 -1.67 0.14 119.26 124.74 1r5s h ALA 94 Ca -0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1r5s h ALA 94 Cb 0.26 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1r5s h ALA 94 CO 0.02 0.15 -1.33 1.57 0.00 0.00 0.00 179.25 179.66 1r5s h LYS 95 N 0.78 0.44 0.00 0.00 2.10 -0.81 0.23 116.57 119.30 1r5s h LYS 95 Ca 0.26 -0.71 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1r5s h LYS 95 Cb 0.01 0.26 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1r5s h LYS 95 CO -0.10 1.33 0.00 1.63 -2.00 0.00 0.00 179.45 180.31 1r5s n LYS 96 N -3.65 0.66 0.00 0.07 5.02 -0.57 -2.41 118.16 117.28 1r5s n LYS 96 Ca -0.13 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1r5s n LYS 96 Cb 1.05 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1r5s n LYS 96 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1r5s n VAL 97 N -1.08 0.00 0.20 -0.18 0.31 0.48 -4.73 118.33 113.34 1r5s n VAL 97 Ca 0.17 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.56 1r5s n VAL 97 Cb 0.11 -0.44 0.43 0.00 -0.91 0.00 0.00 33.84 33.03 1r5s n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r5s h ALA 98 N 0.00 1.21 -1.33 3.52 0.00 -0.61 -1.96 119.26 120.09 1r5s h ALA 98 Ca 0.00 -0.29 -0.77 0.00 0.00 0.00 0.00 54.91 53.85 1r5s h ALA 98 Cb 0.82 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.27 1r5s h ALA 98 CO 0.00 0.40 0.79 0.00 0.00 0.00 0.00 179.25 180.45 1r5s n ALA 99 N -2.36 5.98 0.00 0.00 0.00 -1.01 -4.34 120.51 118.77 1r5s n ALA 99 Ca -0.01 -4.51 0.00 0.00 0.00 0.00 0.00 53.44 48.91 1r5s n ALA 99 Cb 0.41 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1r5s n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r5s n GLY 100 N -0.19 0.08 0.70 0.00 0.00 -1.21 -4.93 105.19 99.64 1r5s n GLY 100 Ca 0.46 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.51 1r5s n GLY 100 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r5s n HIS 101 N 0.00 0.47 0.29 1.61 -0.00 -0.74 -3.26 115.22 113.59 1r5s n HIS 101 Ca 0.00 -0.18 0.03 0.00 -0.00 0.00 0.00 57.72 57.57 1r5s n HIS 101 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.99 29.84 1r5s n HIS 101 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1r5s n GLU 102 N 0.15 3.53 0.00 1.57 1.02 -1.26 -5.02 120.64 120.63 1r5s n GLU 102 Ca 0.07 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1r5s n GLU 102 Cb 0.39 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 1r5s n GLU 102 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1r5s n LEU 103 N -0.70 0.00 -3.09 -4.62 4.77 -1.20 -4.79 117.00 107.36 1r5s n LEU 103 Ca 0.02 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1r5s n LEU 103 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1r5s n LEU 103 CO 0.10 0.00 -0.50 0.00 -1.33 0.00 0.00 177.39 175.66 1r5s n GLN 104 N 0.00 -0.97 0.06 3.23 10.64 -1.26 -4.74 117.38 124.34 1r5s n GLN 104 Ca 0.00 1.21 0.21 0.00 -1.83 0.00 0.00 57.00 56.59 1r5s n GLN 104 Cb 0.00 -1.94 0.69 0.00 -0.86 0.00 0.00 30.24 28.13 1r5s n GLN 104 CO 0.00 0.00 0.00 -1.35 -1.83 0.00 0.00 177.06 173.88 1r5s h PRO 105 N 3.47 0.00 -3.61 2.61 0.11 -2.04 -3.40 132.00 129.14 1r5s h PRO 105 Ca -0.00 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.89 1r5s h PRO 105 Cb 0.79 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.62 1r5s h PRO 105 CO 0.02 0.00 -0.67 -0.48 -0.21 0.00 0.00 178.00 176.67 1r5s s LEU 106 N -7.06 1.80 -0.19 2.35 2.34 -1.26 -5.03 118.68 111.62 1r5s s LEU 106 Ca -0.04 0.10 0.14 0.00 0.06 0.00 0.00 54.13 54.39 1r5s s LEU 106 Cb 0.14 0.16 0.75 0.00 -0.56 0.00 0.00 46.19 46.68 1r5s s LEU 106 CO 0.50 -0.02 1.65 0.00 -1.06 0.00 0.00 176.35 177.42 1r5s n ALA 107 N 3.08 3.61 -2.27 1.48 0.00 -1.26 -4.89 120.51 120.26 1r5s n ALA 107 Ca -0.12 -1.71 -0.14 0.00 0.00 0.00 0.00 53.44 51.46 1r5s n ALA 107 Cb 0.59 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1r5s n ALA 107 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1r5s n ILE 108 N 0.72 -0.68 -2.71 0.00 -0.00 -1.26 -4.89 119.36 110.55 1r5s n ILE 108 Ca 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.96 1r5s n ILE 108 Cb 1.06 -2.20 0.09 0.00 -0.00 0.00 0.00 39.64 38.60 1r5s n ILE 108 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 1r5s n VAL 109 N -4.01 0.44 -0.20 1.39 0.24 -1.26 -4.97 118.33 109.97 1r5s n VAL 109 Ca -0.17 -1.94 -0.02 0.00 -2.04 0.00 0.00 64.34 60.16 1r5s n VAL 109 Cb 0.63 0.99 0.08 0.00 -1.47 0.00 0.00 33.84 34.07 1r5s n VAL 109 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1r5s h ASP 110 N 2.03 0.43 -0.03 -1.34 5.19 -1.98 -2.83 116.42 117.89 1r5s h ASP 110 Ca -0.27 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.06 1r5s h ASP 110 Cb 1.27 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.75 1r5s h ASP 110 CO 0.06 0.28 -0.47 1.56 -3.12 0.00 0.00 179.24 177.55 1r5s h GLN 111 N 0.57 0.37 0.00 3.56 1.08 -2.03 -3.49 115.11 115.17 1r5s h GLN 111 Ca 0.27 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1r5s h GLN 111 Cb 0.20 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1r5s h GLN 111 CO -0.19 1.03 0.00 0.54 -0.95 0.00 0.00 178.83 179.25 1r5s n ARG 112 N -4.31 0.00 -2.81 1.46 3.00 -1.07 -4.98 116.66 107.95 1r5s n ARG 112 Ca -0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.31 1r5s n ARG 112 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.05 1r5s n ARG 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1r5s s PRO 113 N 0.00 3.95 0.00 5.56 0.04 -1.26 -4.85 135.00 138.43 1r5s s PRO 113 Ca 0.00 -2.18 -0.02 0.00 0.04 0.00 0.00 61.00 58.84 1r5s s PRO 113 Cb 0.00 -5.20 -0.10 0.00 0.04 0.00 0.00 34.50 29.24 1r5s s PRO 113 CO 0.00 -1.94 2.41 0.45 0.04 0.00 0.00 177.00 177.96 1r5s n SER 114 N 6.82 4.78 -1.29 6.66 2.88 -1.26 -4.48 113.62 127.73 1r5s n SER 114 Ca 0.38 -2.32 -0.04 0.00 -1.33 0.00 0.00 58.87 55.57 1r5s n SER 114 Cb 0.45 -1.12 0.02 0.00 -0.75 0.00 0.00 64.21 62.81 1r5s n SER 114 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1r5s n SER 115 N 1.95 -2.37 0.00 -3.46 7.64 -1.26 -5.03 113.62 111.08 1r5s n SER 115 Ca 0.15 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1r5s n SER 115 Cb 0.60 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1r5s n SER 115 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1r5s n ARG 116 N -1.48 0.00 -0.66 1.43 1.74 -1.26 -4.94 116.66 111.49 1r5s n ARG 116 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1r5s n ARG 116 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1r5s n ARG 116 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1r5s n ALA 117 N -3.00 0.00 -2.50 7.54 0.00 -1.26 -4.80 120.51 116.49 1r5s n ALA 117 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1r5s n ALA 117 Cb 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 19.45 19.21 1r5s n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r5s n SER 118 N 0.00 3.05 0.00 0.00 2.88 -1.26 -4.81 113.62 113.48 1r5s n SER 118 Ca 0.00 -2.89 0.09 0.00 -1.33 0.00 0.00 58.87 54.74 1r5s n SER 118 Cb 0.00 -0.44 0.42 0.00 -0.75 0.00 0.00 64.21 63.44 1r5s n SER 118 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1r5s n SER 119 N -0.55 0.00 0.00 -3.46 2.88 -1.26 -2.90 113.62 108.33 1r5s n SER 119 Ca 0.23 0.32 -0.22 0.00 -1.33 0.00 0.00 58.87 57.87 1r5s n SER 119 Cb 0.84 -0.42 -0.14 0.00 -0.75 0.00 0.00 64.21 63.75 1r5s n SER 119 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1r5s h ARG 120 N 0.00 0.24 0.00 -1.46 3.08 -1.88 -3.43 114.38 110.94 1r5s h ARG 120 Ca 0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1r5s h ARG 120 Cb 0.26 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1r5s h ARG 120 CO 0.00 1.20 0.00 0.00 -1.07 0.00 0.00 179.97 180.10 1r5s n ALA 121 N -3.03 0.00 -1.67 0.04 0.00 -1.14 -2.97 120.51 111.73 1r5s n ALA 121 Ca -0.29 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.12 1r5s n ALA 121 Cb 0.96 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.39 1r5s n ALA 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r5s n SER 122 N 3.82 -0.36 -4.04 0.00 2.88 -1.26 -4.99 113.62 109.66 1r5s n SER 122 Ca 0.00 -0.76 -0.31 0.00 -1.33 0.00 0.00 58.87 56.47 1r5s n SER 122 Cb 0.00 0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 1r5s n SER 122 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1r5s n SER 123 N 0.00 -2.84 -4.14 -3.46 2.88 -1.16 -4.92 113.62 99.98 1r5s n SER 123 Ca -0.10 -0.94 -0.38 0.00 -1.33 0.00 0.00 58.87 56.12 1r5s n SER 123 Cb 0.41 -3.22 -0.07 0.00 -0.75 0.00 0.00 64.21 60.58 1r5s n SER 123 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1r5s s ARG 124 N -6.70 3.03 0.20 -1.46 0.52 -1.26 -5.07 118.95 108.21 1r5s s ARG 124 Ca 0.49 -2.81 -0.30 0.00 -0.52 0.00 0.00 55.73 52.60 1r5s s ARG 124 Cb -0.26 -3.95 -0.08 0.00 0.52 0.00 0.00 34.95 31.18 1r5s s ARG 124 CO 0.88 -1.23 1.01 -1.25 0.02 0.00 0.00 175.30 174.74 1r5s s PRO 125 N -0.52 4.73 0.02 3.54 0.04 -1.26 -4.70 135.00 136.85 1r5s s PRO 125 Ca 0.21 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1r5s s PRO 125 Cb -0.14 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1r5s s PRO 125 CO -0.07 0.30 0.00 -2.13 0.04 0.00 0.00 177.00 175.13 1r5s n ARG 126 N 1.95 0.00 0.00 4.56 3.00 -1.26 -5.01 116.66 119.90 1r5s n ARG 126 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1r5s n ARG 126 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 1r5s n ARG 126 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1r5s n PRO 127 N -2.34 0.00 -2.05 -0.14 -0.05 -1.26 -4.91 135.00 124.25 1r5s n PRO 127 Ca 0.00 0.23 -0.03 0.00 -0.05 0.00 0.00 63.50 63.65 1r5s n PRO 127 Cb 0.00 -0.73 0.05 0.00 -0.05 0.00 0.00 33.50 32.76 1r5s n PRO 127 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1r5s n ASP 128 N -2.26 -0.81 -0.61 3.54 2.03 -1.26 -4.95 116.55 112.22 1r5s n ASP 128 Ca 0.00 -2.11 -0.06 0.00 0.52 0.00 0.00 54.79 53.14 1r5s n ASP 128 Cb 0.00 0.36 -0.01 0.00 -0.72 0.00 0.00 41.12 40.75 1r5s n ASP 128 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r5s n ASP 129 N -0.79 -2.84 0.00 1.67 -0.08 -1.26 -3.12 116.55 110.13 1r5s n ASP 129 Ca -0.17 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1r5s n ASP 129 Cb 0.83 -1.76 0.00 0.00 2.34 0.00 0.00 41.12 42.53 1r5s n ASP 129 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1r5s n LEU 130 N -0.80 0.81 -2.03 -2.67 4.77 -1.26 -4.77 117.00 111.05 1r5s n LEU 130 Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 1r5s n LEU 130 Cb 0.44 -1.35 0.28 0.00 -2.33 0.00 0.00 43.42 40.45 1r5s n LEU 130 CO 0.09 -0.47 1.09 -1.84 -1.33 0.00 0.00 177.39 174.93 1r5s n GLU 131 N -1.66 3.35 -0.69 3.23 0.28 -1.18 -5.05 120.64 118.91 1r5s n GLU 131 Ca 0.00 -3.08 0.00 0.00 -0.16 0.00 0.00 57.16 53.92 1r5s n GLU 131 Cb 0.06 -2.20 0.00 0.00 1.43 0.00 0.00 31.44 30.73 1r5s n GLU 131 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08