#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tfp h PRO 11 N 0.00 0.46 -4.75 0.00 0.13 -1.88 -3.42 132.00 122.54 1tfp h PRO 11 Ca 0.00 -0.34 -0.68 0.00 -0.87 0.00 0.00 66.00 64.11 1tfp h PRO 11 Cb 0.00 0.06 -0.34 0.00 0.13 0.00 0.00 31.00 30.85 1tfp h PRO 11 CO 0.00 0.96 -0.70 -1.17 -0.23 0.00 0.00 178.00 176.87 1tfp s LEU 12 N -8.10 4.01 0.08 1.56 2.96 -1.26 0.34 118.68 118.26 1tfp s LEU 12 Ca -0.06 -1.39 0.09 0.00 -0.22 0.00 0.00 54.13 52.54 1tfp s LEU 12 Cb 0.11 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 1tfp s LEU 12 CO 0.84 -0.28 -0.21 -0.04 -1.32 0.00 0.00 176.35 175.34 1tfp s MET 13 N 1.21 1.84 0.13 1.98 -1.94 -0.03 -4.72 119.30 117.77 1tfp s MET 13 Ca -0.04 -1.11 0.10 0.00 -1.71 0.00 0.00 55.69 52.93 1tfp s MET 13 Cb -0.20 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.51 1tfp s MET 13 CO -0.02 0.51 -0.21 0.08 -0.01 0.00 0.00 175.02 175.37 1tfp s VAL 14 N -0.98 2.64 -0.30 -6.03 1.01 -1.26 -0.56 120.40 114.92 1tfp s VAL 14 Ca 0.15 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1tfp s VAL 14 Cb -0.10 -2.21 0.14 0.00 0.00 0.00 0.00 36.38 34.21 1tfp s VAL 14 CO 0.06 0.07 0.33 -0.75 0.00 0.00 0.00 175.10 174.80 1tfp s LYS 15 N -2.21 0.37 -0.23 2.72 2.47 -1.11 -4.29 119.74 117.47 1tfp s LYS 15 Ca 0.17 -0.16 -0.11 0.00 -1.56 0.00 0.00 55.97 54.32 1tfp s LYS 15 Cb -0.10 -0.59 -0.05 0.00 -1.46 0.00 0.00 37.83 35.63 1tfp s LYS 15 CO 0.09 -1.05 0.17 0.08 0.16 0.00 0.00 175.35 174.80 1tfp s VAL 16 N 2.31 5.36 -0.03 4.02 1.01 -0.07 -1.28 120.40 131.72 1tfp s VAL 16 Ca 0.10 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1tfp s VAL 16 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1tfp s VAL 16 CO -0.30 0.36 -0.12 -0.76 0.00 0.00 0.00 175.10 174.28 1tfp s LEU 17 N 0.94 2.89 -0.42 3.92 1.02 0.18 0.28 118.68 127.49 1tfp s LEU 17 Ca 0.08 -0.18 -0.14 0.00 0.02 0.00 0.00 54.13 53.91 1tfp s LEU 17 Cb -0.13 -1.63 0.03 0.00 0.02 0.00 0.00 46.19 44.48 1tfp s LEU 17 CO 0.04 0.32 0.31 -0.62 0.02 0.00 0.00 176.35 176.42 1tfp s ASP 18 N -1.00 6.06 0.43 2.29 -1.08 0.54 -0.37 116.67 123.55 1tfp s ASP 18 Ca 0.13 -1.03 0.27 0.00 -0.52 0.00 0.00 52.55 51.41 1tfp s ASP 18 Cb -0.11 -2.14 0.84 0.00 -1.46 0.00 0.00 42.92 40.05 1tfp s ASP 18 CO 0.03 -0.49 1.78 0.00 0.52 0.00 0.00 175.17 177.01 1tfp h ALA 19 N 8.63 1.00 0.04 3.66 0.00 -1.41 0.28 119.26 131.46 1tfp h ALA 19 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.35 1tfp h ALA 19 Cb 1.11 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1tfp h ALA 19 CO 0.76 0.00 -1.62 0.28 0.00 0.00 0.00 179.25 178.67 1tfp h VAL 20 N 0.00 0.99 0.00 0.00 2.07 -1.94 -3.38 116.25 113.99 1tfp h VAL 20 Ca 0.00 -2.77 -0.02 0.00 0.82 0.00 0.00 66.70 64.73 1tfp h VAL 20 Cb 0.73 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1tfp h VAL 20 CO 0.00 0.67 -2.01 0.54 0.02 0.00 0.00 177.57 176.79 1tfp n ARG 21 N -3.22 0.66 -2.74 1.57 1.74 -1.22 -5.03 116.66 108.42 1tfp n ARG 21 Ca -0.16 -0.19 -0.10 0.00 -0.77 0.00 0.00 57.85 56.62 1tfp n ARG 21 Cb 1.03 -1.51 0.05 0.00 -1.02 0.00 0.00 32.46 31.01 1tfp n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tfp n GLY 22 N 1.30 -0.35 3.68 -0.13 0.00 0.96 -5.04 105.19 105.61 1tfp n GLY 22 Ca -0.05 0.18 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 1tfp n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tfp s SER 23 N -3.44 -0.21 0.68 1.61 1.04 -1.12 -5.00 113.70 107.26 1tfp s SER 23 Ca 0.21 -0.28 -0.17 0.00 0.48 0.00 0.00 55.95 56.19 1tfp s SER 23 Cb -0.03 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.53 1tfp s SER 23 CO 0.49 -0.77 1.28 -2.84 0.98 0.00 0.00 173.24 172.37 1tfp s PRO 24 N -3.15 2.36 -0.24 4.02 0.02 -1.26 -0.34 135.00 136.41 1tfp s PRO 24 Ca 0.11 2.01 -0.17 0.00 0.02 0.00 0.00 61.00 62.96 1tfp s PRO 24 Cb -0.01 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.65 1tfp s PRO 24 CO -0.01 -1.73 0.47 0.00 -0.33 0.00 0.00 177.00 175.40 1tfp s ALA 25 N -1.54 3.57 0.01 -1.55 0.00 0.14 -4.60 121.76 117.80 1tfp s ALA 25 Ca 0.81 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 1tfp s ALA 25 Cb -0.36 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1tfp s ALA 25 CO 0.42 -0.60 0.13 0.00 0.00 0.00 0.00 175.76 175.71 1tfp s ALA 26 N 1.98 3.75 -1.22 0.00 0.00 -1.26 -3.51 121.76 121.50 1tfp s ALA 26 Ca 0.20 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1tfp s ALA 26 Cb -0.15 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1tfp s ALA 26 CO 0.09 0.73 0.00 -1.71 0.00 0.00 0.00 175.76 174.87 1tfp n ASN 27 N 0.93 -4.46 -4.70 0.00 5.15 0.10 -4.91 115.26 107.37 1tfp n ASN 27 Ca -0.11 0.29 -0.40 0.00 -0.60 0.00 0.00 54.58 53.76 1tfp n ASN 27 Cb 0.52 -2.98 -0.05 0.00 -0.53 0.00 0.00 39.78 36.75 1tfp n ASN 27 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1tfp s VAL 28 N -2.40 5.03 0.25 3.44 -7.23 -1.26 -4.72 120.40 113.51 1tfp s VAL 28 Ca 0.00 1.37 -0.30 0.00 -1.81 0.00 0.00 61.98 61.24 1tfp s VAL 28 Cb 0.00 -4.01 -0.09 0.00 0.56 0.00 0.00 36.38 32.83 1tfp s VAL 28 CO 0.00 0.20 1.28 0.00 -0.31 0.00 0.00 175.10 176.27 1tfp s ALA 29 N 1.20 3.50 -0.09 1.32 0.00 -0.27 -1.77 121.76 125.66 1tfp s ALA 29 Ca 0.35 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.46 1tfp s ALA 29 Cb -0.17 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1tfp s ALA 29 CO 0.15 -0.51 -0.15 0.08 0.00 0.00 0.00 175.76 175.32 1tfp s VAL 30 N -0.47 1.42 -0.11 0.00 1.01 -0.86 -0.17 120.40 121.22 1tfp s VAL 30 Ca 0.52 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1tfp s VAL 30 Cb -0.37 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1tfp s VAL 30 CO 0.43 0.42 -0.12 -0.54 0.00 0.00 0.00 175.10 175.29 1tfp s LYS 31 N 0.72 1.90 -0.03 2.72 1.02 -0.36 -1.72 119.74 123.99 1tfp s LYS 31 Ca -0.13 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.42 1tfp s LYS 31 Cb -0.16 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1tfp s LYS 31 CO 0.03 -0.14 0.08 0.08 -0.92 0.00 0.00 175.35 174.48 1tfp s VAL 32 N 1.22 4.76 0.12 3.17 1.01 -0.97 -0.59 120.40 129.11 1tfp s VAL 32 Ca -0.03 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1tfp s VAL 32 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1tfp s VAL 32 CO -0.04 0.41 -0.11 -0.36 0.00 0.00 0.00 175.10 175.01 1tfp s PHE 33 N -1.14 1.17 -0.07 5.22 0.40 -0.36 -1.10 117.98 122.11 1tfp s PHE 33 Ca 0.21 -0.67 0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1tfp s PHE 33 Cb -0.12 -0.62 0.01 0.00 0.51 0.00 0.00 43.02 42.80 1tfp s PHE 33 CO 0.11 0.04 -0.16 0.21 0.70 0.00 0.00 175.22 176.13 1tfp s LYS 34 N -3.06 2.01 -0.47 0.44 2.20 0.04 -1.32 119.74 119.57 1tfp s LYS 34 Ca 0.09 -0.55 -0.28 0.00 -0.36 0.00 0.00 55.97 54.88 1tfp s LYS 34 Cb -0.01 -1.62 0.03 0.00 -1.51 0.00 0.00 37.83 34.71 1tfp s LYS 34 CO 0.01 0.10 1.09 0.21 -0.36 0.00 0.00 175.35 176.39 1tfp s LYS 35 N 0.49 3.68 0.82 4.03 2.20 -0.18 -0.04 119.74 130.73 1tfp s LYS 35 Ca -0.14 0.47 -0.11 0.00 -0.36 0.00 0.00 55.97 55.83 1tfp s LYS 35 Cb -0.16 -3.91 0.08 0.00 -1.51 0.00 0.00 37.83 32.33 1tfp s LYS 35 CO 0.05 -1.34 1.09 0.00 -0.36 0.00 0.00 175.35 174.79 1tfp s ALA 36 N 4.28 2.00 -0.36 3.13 0.00 0.13 -4.66 121.76 126.28 1tfp s ALA 36 Ca 0.45 0.20 0.17 0.00 0.00 0.00 0.00 51.96 52.79 1tfp s ALA 36 Cb -0.08 -3.27 0.93 0.00 0.00 0.00 0.00 23.12 20.71 1tfp s ALA 36 CO 0.30 -2.00 1.53 0.00 0.00 0.00 0.00 175.76 175.59 1tfp n ALA 37 N -3.67 1.04 1.71 0.00 0.00 -1.26 -0.04 120.51 118.28 1tfp n ALA 37 Ca 0.09 0.16 0.15 0.00 0.00 0.00 0.00 53.44 53.84 1tfp n ALA 37 Cb 0.53 -1.25 0.85 0.00 0.00 0.00 0.00 19.45 19.59 1tfp n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1tfp n ASP 38 N -2.10 0.00 -0.10 0.00 8.00 -1.26 -4.85 116.55 116.23 1tfp n ASP 38 Ca -0.01 -0.57 -0.01 0.00 0.71 0.00 0.00 54.79 54.90 1tfp n ASP 38 Cb 0.03 -0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 40.98 1tfp n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tfp n GLY 39 N 1.13 0.51 3.71 0.44 0.00 0.95 -5.02 105.19 106.91 1tfp n GLY 39 Ca 0.19 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1tfp n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1tfp s THR 40 N -1.97 4.21 -0.37 2.61 -1.32 -1.23 -4.88 115.64 112.69 1tfp s THR 40 Ca 0.00 -0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 59.50 1tfp s THR 40 Cb 0.00 -2.95 0.01 0.00 -1.51 0.00 0.00 72.50 68.05 1tfp s THR 40 CO 0.00 0.24 0.77 0.26 -2.21 0.00 0.00 174.62 173.68 1tfp s TRP 41 N -1.22 3.11 -0.06 9.09 0.52 -1.26 0.18 118.94 129.30 1tfp s TRP 41 Ca 0.24 0.53 -0.14 0.00 0.02 0.00 0.00 56.10 56.74 1tfp s TRP 41 Cb -0.12 -3.39 -0.05 0.00 -1.15 0.00 0.00 33.47 28.76 1tfp s TRP 41 CO 0.15 -0.73 0.37 -1.14 0.02 0.00 0.00 176.95 175.62 1tfp s GLN 42 N 3.08 4.00 0.37 4.98 2.00 0.94 -4.88 119.66 130.14 1tfp s GLN 42 Ca 0.31 0.30 -0.28 0.00 -2.00 0.00 0.00 55.36 53.69 1tfp s GLN 42 Cb -0.13 -3.29 -0.11 0.00 0.80 0.00 0.00 33.01 30.27 1tfp s GLN 42 CO 0.17 0.53 1.37 -3.47 -0.50 0.00 0.00 175.29 173.39 1tfp n ASP 43 N 2.46 3.19 0.06 6.67 2.03 -1.26 -0.78 116.55 128.91 1tfp n ASP 43 Ca -0.13 1.21 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1tfp n ASP 43 Cb 0.52 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1tfp n ASP 43 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1tfp n PHE 44 N 0.31 -0.19 -4.20 -0.67 7.35 -0.25 -4.73 117.46 115.07 1tfp n PHE 44 Ca 0.03 0.03 -0.14 0.00 -0.76 0.00 0.00 57.45 56.62 1tfp n PHE 44 Cb 0.38 0.04 -0.06 0.00 0.35 0.00 0.00 39.48 40.19 1tfp n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tfp n ALA 45 N -3.49 0.52 0.00 3.13 0.00 -1.14 -5.00 120.51 114.52 1tfp n ALA 45 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 52.05 1tfp n ALA 45 Cb 0.01 1.13 0.00 0.00 0.00 0.00 0.00 19.45 20.59 1tfp n ALA 45 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1tfp n THR 46 N -0.45 0.00 -3.07 0.00 5.66 -1.26 -2.30 114.28 112.86 1tfp n THR 46 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1tfp n THR 46 Cb 0.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 1tfp n THR 46 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tfp n GLY 47 N -0.14 1.33 2.99 1.09 0.00 -0.70 -4.99 105.19 104.77 1tfp n GLY 47 Ca 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 1tfp n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tfp s LYS 48 N -0.36 0.15 0.53 1.61 1.02 -1.26 -2.03 119.74 119.40 1tfp s LYS 48 Ca 0.00 0.43 -0.21 0.00 0.02 0.00 0.00 55.97 56.21 1tfp s LYS 48 Cb 0.00 -0.14 -0.07 0.00 -0.52 0.00 0.00 37.83 37.11 1tfp s LYS 48 CO 0.00 -0.16 1.05 0.25 -0.92 0.00 0.00 175.35 175.58 1tfp n THR 49 N 4.14 3.24 -2.19 2.17 -2.24 -0.73 -4.73 114.28 113.94 1tfp n THR 49 Ca -0.25 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 60.88 1tfp n THR 49 Cb 0.53 -1.26 0.09 0.00 -2.10 0.00 0.00 70.33 67.59 1tfp n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1tfp n THR 50 N -1.15 0.00 0.14 4.28 -2.24 0.47 0.01 114.28 115.78 1tfp n THR 50 Ca 0.11 -0.86 0.01 0.00 -2.27 0.00 0.00 64.05 61.05 1tfp n THR 50 Cb 0.44 -1.27 0.07 0.00 -2.10 0.00 0.00 70.33 67.46 1tfp n THR 50 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1tfp n GLU 51 N -2.32 0.06 -0.13 -0.78 0.28 -1.26 0.09 120.64 116.58 1tfp n GLU 51 Ca 0.10 0.09 0.06 0.00 -0.16 0.00 0.00 57.16 57.26 1tfp n GLU 51 Cb 0.36 -1.50 0.12 0.00 1.43 0.00 0.00 31.44 31.85 1tfp n GLU 51 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1tfp n PHE 52 N -1.10 0.22 -2.50 -1.84 3.72 -1.26 -4.72 117.46 109.97 1tfp n PHE 52 Ca 0.02 -0.77 -0.19 0.00 -0.05 0.00 0.00 57.45 56.45 1tfp n PHE 52 Cb 0.01 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1tfp n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tfp n GLY 53 N -0.77 -0.41 3.26 1.37 0.00 0.11 -4.71 105.19 104.04 1tfp n GLY 53 Ca 0.12 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1tfp n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tfp s GLU 54 N -5.10 1.06 -0.09 1.61 2.02 -1.25 -0.89 118.70 116.05 1tfp s GLU 54 Ca 0.07 -1.28 0.03 0.00 0.02 0.00 0.00 54.97 53.81 1tfp s GLU 54 Cb -0.03 -0.94 -0.01 0.00 0.10 0.00 0.00 34.13 33.25 1tfp s GLU 54 CO 0.08 0.18 -0.21 0.42 0.02 0.00 0.00 175.26 175.75 1tfp s ILE 55 N -2.22 2.39 -0.19 -1.63 1.01 -1.26 -0.39 121.20 118.90 1tfp s ILE 55 Ca 0.11 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.78 1tfp s ILE 55 Cb -0.04 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1tfp s ILE 55 CO 0.03 0.56 0.01 -1.00 0.00 0.00 0.00 174.94 174.54 1tfp s HIS 56 N 0.15 3.08 -0.72 3.97 3.76 -1.26 -4.63 115.29 119.64 1tfp s HIS 56 Ca -0.11 -0.29 -0.04 0.00 -0.15 0.00 0.00 55.06 54.48 1tfp s HIS 56 Cb -0.16 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 1tfp s HIS 56 CO 0.06 -0.10 0.64 0.39 -0.85 0.00 0.00 174.74 174.88 1tfp n GLU 57 N 3.94 -1.51 0.13 1.40 1.02 -1.26 -4.97 120.64 119.39 1tfp n GLU 57 Ca -0.17 0.74 -0.11 0.00 -0.02 0.00 0.00 57.16 57.60 1tfp n GLU 57 Cb 0.52 -4.64 -0.06 0.00 -0.02 0.00 0.00 31.44 27.24 1tfp n GLU 57 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1tfp h LEU 58 N -0.58 -0.34 -8.61 -4.62 3.38 -1.84 -3.48 115.31 99.21 1tfp h LEU 58 Ca -0.36 -0.17 -0.25 0.00 0.09 0.00 0.00 57.88 57.18 1tfp h LEU 58 Cb 1.18 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.87 1tfp h LEU 58 CO 0.30 0.13 -0.62 0.28 0.09 0.00 0.00 178.44 178.62 1tfp s THR 59 N -3.67 0.05 0.21 0.22 -1.32 -1.26 -4.75 115.64 105.12 1tfp s THR 59 Ca -0.11 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.43 1tfp s THR 59 Cb 0.01 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1tfp s THR 59 CO 0.40 -0.01 0.18 0.42 -2.21 0.00 0.00 174.62 173.40 1tfp s THR 60 N -4.12 4.50 0.55 5.08 -4.23 -1.26 -4.55 115.64 111.61 1tfp s THR 60 Ca 0.39 -1.24 0.27 0.00 -1.18 0.00 0.00 61.69 59.93 1tfp s THR 60 Cb 0.07 -3.37 0.40 0.00 1.34 0.00 0.00 72.50 70.93 1tfp s THR 60 CO 0.12 -0.24 1.98 -0.33 -0.54 0.00 0.00 174.62 175.61 1tfp h GLU 61 N 1.89 0.00 0.00 3.99 4.39 -1.97 0.19 114.58 123.07 1tfp h GLU 61 Ca -0.48 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 1tfp h GLU 61 Cb 1.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1tfp h GLU 61 CO 0.62 0.00 -1.04 1.05 -1.16 0.00 0.00 179.01 178.48 1tfp h GLU 62 N 0.00 0.00 0.00 2.33 9.09 -2.05 -3.36 114.58 120.60 1tfp h GLU 62 Ca 0.24 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.39 1tfp h GLU 62 Cb 1.03 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.09 1tfp h GLU 62 CO -0.00 0.09 -1.44 0.37 0.05 0.00 0.00 179.01 178.08 1tfp h GLN 63 N 0.00 0.01 -5.35 1.06 5.75 -1.41 -3.42 115.11 111.74 1tfp h GLN 63 Ca -0.04 -0.02 -0.66 0.00 -0.15 0.00 0.00 58.65 57.78 1tfp h GLN 63 Cb 1.17 0.01 -0.15 0.00 1.07 0.00 0.00 27.48 29.57 1tfp h GLN 63 CO 0.01 0.71 0.98 0.12 -2.65 0.00 0.00 178.83 178.00 1tfp s PHE 64 N -2.64 2.92 0.45 3.99 5.36 -0.42 -4.93 117.98 122.70 1tfp s PHE 64 Ca -0.03 -1.16 0.08 0.00 -0.96 0.00 0.00 56.93 54.86 1tfp s PHE 64 Cb 0.09 -4.39 0.02 0.00 -0.34 0.00 0.00 43.02 38.39 1tfp s PHE 64 CO 0.82 -1.62 0.55 0.14 -1.46 0.00 0.00 175.22 173.65 1tfp s VAL 65 N 3.43 2.74 -0.21 3.12 -7.23 -1.26 -4.94 120.40 116.05 1tfp s VAL 65 Ca 0.35 -1.10 -0.37 0.00 -1.81 0.00 0.00 61.98 59.05 1tfp s VAL 65 Cb -0.05 -2.84 -0.14 0.00 0.56 0.00 0.00 36.38 33.92 1tfp s VAL 65 CO -0.08 0.00 1.84 -0.62 -0.31 0.00 0.00 175.10 175.94 1tfp n GLU 66 N -1.84 1.57 0.00 4.82 1.02 -1.26 -4.88 120.64 120.08 1tfp n GLU 66 Ca 0.08 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1tfp n GLU 66 Cb 0.60 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1tfp n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tfp n GLY 67 N 4.48 -0.41 3.63 0.62 0.00 -0.96 -5.02 105.19 107.53 1tfp n GLY 67 Ca 0.26 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 1tfp n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tfp s VAL 68 N -2.00 5.14 0.22 1.61 1.01 -1.26 -0.24 120.40 124.87 1tfp s VAL 68 Ca 0.00 0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.81 1tfp s VAL 68 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1tfp s VAL 68 CO 0.00 0.16 -0.05 -0.31 0.00 0.00 0.00 175.10 174.89 1tfp s TYR 69 N 1.93 2.67 -0.17 5.22 2.02 -0.87 -1.01 117.35 127.13 1tfp s TYR 69 Ca 0.19 -0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.64 1tfp s TYR 69 Cb -0.15 -1.25 0.06 0.00 -0.40 0.00 0.00 41.96 40.21 1tfp s TYR 69 CO 0.09 0.56 0.05 0.50 -1.57 0.00 0.00 175.55 175.19 1tfp s ARG 70 N -3.20 0.42 -0.24 -0.62 3.52 -0.44 -2.50 118.95 115.90 1tfp s ARG 70 Ca 0.28 -0.23 -0.12 0.00 -0.13 0.00 0.00 55.73 55.53 1tfp s ARG 70 Cb -0.08 -1.87 -0.05 0.00 -1.56 0.00 0.00 34.95 31.40 1tfp s ARG 70 CO 0.17 -0.61 0.21 0.08 -0.81 0.00 0.00 175.30 174.34 1tfp s VAL 71 N 1.97 5.32 -0.25 7.11 1.01 -0.32 -1.22 120.40 134.02 1tfp s VAL 71 Ca 0.01 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1tfp s VAL 71 Cb -0.16 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1tfp s VAL 71 CO -0.08 0.32 -0.06 -0.70 0.00 0.00 0.00 175.10 174.57 1tfp s GLU 72 N 1.19 2.76 0.24 2.72 2.12 0.24 -1.50 118.70 126.47 1tfp s GLU 72 Ca 0.10 -1.03 -0.15 0.00 0.36 0.00 0.00 54.97 54.25 1tfp s GLU 72 Cb -0.14 -2.99 -0.08 0.00 0.26 0.00 0.00 34.13 31.18 1tfp s GLU 72 CO 0.06 -0.43 0.66 -0.06 -0.54 0.00 0.00 175.26 174.95 1tfp s PHE 73 N 1.30 3.50 -0.15 5.30 0.08 -0.95 -1.23 117.98 125.83 1tfp s PHE 73 Ca -0.01 1.17 -0.19 0.00 0.12 0.00 0.00 56.93 58.01 1tfp s PHE 73 Cb -0.17 -2.47 0.05 0.00 -0.57 0.00 0.00 43.02 39.86 1tfp s PHE 73 CO -0.04 0.26 0.51 0.34 -0.10 0.00 0.00 175.22 176.19 1tfp s ASP 74 N -2.01 -0.51 0.17 1.36 -1.08 0.76 -3.51 116.67 111.86 1tfp s ASP 74 Ca 0.46 0.88 0.07 0.00 -0.52 0.00 0.00 52.55 53.44 1tfp s ASP 74 Cb -0.13 0.90 -0.04 0.00 -1.46 0.00 0.00 42.92 42.18 1tfp s ASP 74 CO 0.19 -0.27 -0.15 0.42 0.52 0.00 0.00 175.17 175.88 1tfp s THR 75 N -0.12 1.62 -0.35 1.71 -4.23 -1.26 -1.11 115.64 111.91 1tfp s THR 75 Ca -0.03 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1tfp s THR 75 Cb -0.03 -1.84 0.11 0.00 1.34 0.00 0.00 72.50 72.08 1tfp s THR 75 CO 0.02 -0.47 0.14 -0.44 -0.54 0.00 0.00 174.62 173.33 1tfp s SER 76 N -2.88 3.89 -1.27 3.99 0.01 -1.26 -4.77 113.70 111.41 1tfp s SER 76 Ca 0.16 -1.94 -0.07 0.00 1.31 0.00 0.00 55.95 55.42 1tfp s SER 76 Cb -0.03 -0.90 0.05 0.00 0.21 0.00 0.00 66.02 65.34 1tfp s SER 76 CO 0.05 -0.37 0.41 -1.20 0.41 0.00 0.00 173.24 172.54 1tfp n SER 77 N 4.45 -4.11 0.30 2.44 7.64 -1.26 -4.79 113.62 118.28 1tfp n SER 77 Ca 0.02 -0.25 0.19 0.00 1.01 0.00 0.00 58.87 59.84 1tfp n SER 77 Cb 0.40 -3.40 1.01 0.00 -1.01 0.00 0.00 64.21 61.20 1tfp n SER 77 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1tfp h TYR 78 N -0.84 0.00 -0.06 1.43 3.20 -2.00 -0.68 116.97 118.03 1tfp h TYR 78 Ca -0.42 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1tfp h TYR 78 Cb 1.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1tfp h TYR 78 CO 0.65 0.00 0.00 0.91 -1.64 0.00 0.00 178.16 178.08 1tfp n TRP 79 N -3.37 0.04 -2.08 -3.82 7.02 -1.26 -4.92 117.44 109.05 1tfp n TRP 79 Ca -0.02 -0.03 -0.43 0.00 -1.02 0.00 0.00 57.50 56.01 1tfp n TRP 79 Cb 0.18 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.04 1tfp n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1tfp s LYS 80 N -1.54 3.86 0.00 -0.99 2.20 -0.26 -2.72 119.74 120.28 1tfp s LYS 80 Ca 0.23 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.62 1tfp s LYS 80 Cb 0.16 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 1tfp s LYS 80 CO 0.24 -1.22 0.00 0.41 -0.36 0.00 0.00 175.35 174.41 1tfp n GLY 81 N 4.57 2.43 0.02 5.54 0.00 -1.26 -4.93 105.19 111.56 1tfp n GLY 81 Ca 0.19 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1tfp n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tfp n LEU 82 N 0.00 0.55 -0.72 0.99 4.77 -1.10 -4.96 117.00 116.53 1tfp n LEU 82 Ca 0.00 0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 1tfp n LEU 82 Cb 0.00 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1tfp n LEU 82 CO 0.00 0.08 -0.05 0.61 -1.33 0.00 0.00 177.39 176.70 1tfp n GLY 83 N 1.45 0.22 0.99 -0.72 0.00 -1.26 -5.04 105.19 100.83 1tfp n GLY 83 Ca 0.05 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 1tfp n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tfp n LEU 84 N -0.91 0.00 -4.90 0.99 4.77 -1.26 -5.07 117.00 110.61 1tfp n LEU 84 Ca -0.05 -0.52 -0.33 0.00 -0.03 0.00 0.00 56.01 55.08 1tfp n LEU 84 Cb 0.54 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1tfp n LEU 84 CO 0.09 -0.64 -0.11 -0.44 -1.33 0.00 0.00 177.39 174.96 1tfp s SER 85 N -2.06 6.41 0.42 -1.43 0.01 -1.26 -5.02 113.70 110.78 1tfp s SER 85 Ca 0.17 0.40 -0.22 0.00 1.31 0.00 0.00 55.95 57.61 1tfp s SER 85 Cb -0.01 -2.02 -0.10 0.00 0.21 0.00 0.00 66.02 64.10 1tfp s SER 85 CO 0.11 0.22 0.98 -2.84 0.41 0.00 0.00 173.24 172.13 1tfp s PRO 86 N -2.09 4.18 -0.29 12.44 0.02 -1.26 -5.01 135.00 142.98 1tfp s PRO 86 Ca 0.30 1.27 0.02 0.00 0.02 0.00 0.00 61.00 62.61 1tfp s PRO 86 Cb -0.13 -2.32 0.20 0.00 0.02 0.00 0.00 34.50 32.27 1tfp s PRO 86 CO 0.21 -0.09 0.67 0.12 -0.33 0.00 0.00 177.00 177.58 1tfp s PHE 87 N -1.96 -1.58 -0.62 6.54 5.36 -1.26 -5.09 117.98 119.37 1tfp s PHE 87 Ca 0.61 1.09 -0.26 0.00 -0.96 0.00 0.00 56.93 57.41 1tfp s PHE 87 Cb -0.14 0.34 -0.04 0.00 -0.34 0.00 0.00 43.02 42.84 1tfp s PHE 87 CO 0.19 -0.91 1.99 -1.58 -1.46 0.00 0.00 175.22 173.44 1tfp s HIS 88 N 2.86 1.55 0.03 10.12 5.65 -1.26 -4.91 115.29 129.32 1tfp s HIS 88 Ca 0.14 0.95 0.04 0.00 0.25 0.00 0.00 55.06 56.45 1tfp s HIS 88 Cb -0.10 -3.97 -0.02 0.00 -1.18 0.00 0.00 32.58 27.31 1tfp s HIS 88 CO -0.24 -2.28 -0.13 -2.00 -0.65 0.00 0.00 174.74 169.44 1tfp s GLU 89 N 7.32 0.93 -0.01 2.88 2.12 -1.26 -5.15 118.70 125.53 1tfp s GLU 89 Ca 0.74 -0.67 -0.19 0.00 0.36 0.00 0.00 54.97 55.21 1tfp s GLU 89 Cb -0.13 -0.92 0.03 0.00 0.26 0.00 0.00 34.13 33.37 1tfp s GLU 89 CO 0.19 0.23 0.40 1.52 -0.54 0.00 0.00 175.26 177.07 1tfp s TYR 90 N -0.72 -0.29 0.27 5.30 -0.85 -1.26 -4.69 117.35 115.10 1tfp s TYR 90 Ca 0.02 0.43 0.06 0.00 -0.52 0.00 0.00 57.07 57.05 1tfp s TYR 90 Cb -0.07 0.18 -0.06 0.00 0.38 0.00 0.00 41.96 42.39 1tfp s TYR 90 CO 0.01 -0.47 -0.04 0.00 -1.52 0.00 0.00 175.55 173.53 1tfp s ALA 91 N -1.52 2.20 0.12 9.51 0.00 -1.23 -5.04 121.76 125.81 1tfp s ALA 91 Ca -0.11 -1.87 0.04 0.00 0.00 0.00 0.00 51.96 50.01 1tfp s ALA 91 Cb -0.03 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1tfp s ALA 91 CO 0.04 -0.13 -0.10 -0.51 0.00 0.00 0.00 175.76 175.07 1tfp s ASP 92 N -3.41 1.56 -0.00 0.00 1.01 -1.26 -2.24 116.67 112.33 1tfp s ASP 92 Ca 0.29 -0.91 0.02 0.00 0.71 0.00 0.00 52.55 52.66 1tfp s ASP 92 Cb 0.04 0.01 -0.00 0.00 1.01 0.00 0.00 42.92 43.98 1tfp s ASP 92 CO 0.11 -0.31 -0.06 -0.69 0.21 0.00 0.00 175.17 174.43 1tfp s VAL 93 N -2.91 0.45 -0.17 -1.27 1.01 -0.56 -4.97 120.40 111.98 1tfp s VAL 93 Ca 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1tfp s VAL 93 Cb 0.00 -0.38 0.06 0.00 0.00 0.00 0.00 36.38 36.05 1tfp s VAL 93 CO -0.00 0.13 0.05 -0.69 0.00 0.00 0.00 175.10 174.58 1tfp s VAL 94 N -0.13 0.34 0.43 2.92 1.01 -1.26 -1.17 120.40 122.53 1tfp s VAL 94 Ca 0.02 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1tfp s VAL 94 Cb -0.02 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.45 1tfp s VAL 94 CO -0.00 -0.16 0.01 0.72 0.00 0.00 0.00 175.10 175.67 1tfp s PHE 95 N 1.95 2.32 -0.26 5.22 -0.71 -1.04 -5.00 117.98 120.47 1tfp s PHE 95 Ca 0.01 -0.77 -0.02 0.00 -1.04 0.00 0.00 56.93 55.11 1tfp s PHE 95 Cb -0.16 -1.70 0.03 0.00 -1.21 0.00 0.00 43.02 39.98 1tfp s PHE 95 CO -0.08 0.36 -0.05 0.99 -1.34 0.00 0.00 175.22 175.10 1tfp s THR 96 N -2.80 2.92 0.10 -4.49 2.01 -1.26 -2.06 115.64 110.06 1tfp s THR 96 Ca 0.28 -1.08 -0.25 0.00 0.31 0.00 0.00 61.69 60.95 1tfp s THR 96 Cb 0.08 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 70.01 1tfp s THR 96 CO 0.14 0.14 0.79 0.00 -0.69 0.00 0.00 174.62 175.00 1tfp s ALA 97 N 1.32 3.39 -1.51 7.40 0.00 0.66 -4.43 121.76 128.59 1tfp s ALA 97 Ca -0.01 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.16 1tfp s ALA 97 Cb -0.17 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 20.02 1tfp s ALA 97 CO -0.04 0.15 1.01 0.09 0.00 0.00 0.00 175.76 176.97 1tfp n ASN 98 N 2.31 -5.11 -1.53 0.00 3.02 -1.26 -2.27 115.26 110.42 1tfp n ASN 98 Ca -0.03 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1tfp n ASN 98 Cb 0.49 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.60 1tfp n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1tfp n ASP 99 N -2.85 3.75 0.00 6.41 5.75 -1.26 -4.07 116.55 124.28 1tfp n ASP 99 Ca 0.04 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1tfp n ASP 99 Cb 0.53 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1tfp n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1tfp n SER 100 N 1.47 0.00 0.00 -1.12 3.41 -1.26 -5.14 113.62 110.97 1tfp n SER 100 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1tfp n SER 100 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1tfp n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tfp n GLY 101 N 0.00 1.55 3.11 5.00 0.00 -1.26 -4.82 105.19 108.77 1tfp n GLY 101 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1tfp n GLY 101 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tfp s HIS 102 N 0.00 -0.15 0.15 1.61 3.76 -1.26 -4.83 115.29 114.57 1tfp s HIS 102 Ca 0.00 0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 55.25 1tfp s HIS 102 Cb 0.00 0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.74 1tfp s HIS 102 CO 0.00 -0.19 0.19 0.54 -0.85 0.00 0.00 174.74 174.43 1tfp n ARG 103 N 2.36 0.28 -4.48 1.40 1.74 -1.26 -5.07 116.66 111.64 1tfp n ARG 103 Ca -0.16 -1.21 -0.26 0.00 -0.77 0.00 0.00 57.85 55.44 1tfp n ARG 103 Cb 0.57 1.14 -0.17 0.00 -1.02 0.00 0.00 32.46 32.99 1tfp n ARG 103 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1tfp s HIS 104 N -3.90 1.62 0.02 -1.55 3.76 -1.26 -4.83 115.29 109.14 1tfp s HIS 104 Ca 0.13 -0.67 0.04 0.00 -0.15 0.00 0.00 55.06 54.40 1tfp s HIS 104 Cb -0.00 -1.20 -0.03 0.00 1.11 0.00 0.00 32.58 32.46 1tfp s HIS 104 CO 0.09 -0.36 -0.07 0.71 -0.85 0.00 0.00 174.74 174.26 1tfp s TYR 105 N 0.88 2.87 -0.25 1.40 1.51 0.15 -1.73 117.35 122.19 1tfp s TYR 105 Ca -0.10 -0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 1tfp s TYR 105 Cb -0.15 -1.58 0.08 0.00 -0.11 0.00 0.00 41.96 40.19 1tfp s TYR 105 CO 0.01 0.38 0.05 0.99 -1.11 0.00 0.00 175.55 175.87 1tfp s THR 106 N -1.03 0.79 -0.76 -0.71 2.01 -0.59 -0.85 115.64 114.50 1tfp s THR 106 Ca 0.18 -0.99 -0.20 0.00 0.31 0.00 0.00 61.69 60.99 1tfp s THR 106 Cb -0.11 -1.39 0.11 0.00 0.01 0.00 0.00 72.50 71.12 1tfp s THR 106 CO 0.09 -0.39 0.95 -0.63 -0.69 0.00 0.00 174.62 173.94 1tfp s ILE 107 N 1.70 4.70 -0.10 1.82 -1.09 0.28 -1.42 121.20 127.09 1tfp s ILE 107 Ca 0.03 -1.14 -0.24 0.00 -2.23 0.00 0.00 60.65 57.06 1tfp s ILE 107 Cb -0.17 -4.66 -0.03 0.00 -1.58 0.00 0.00 42.46 36.02 1tfp s ILE 107 CO -0.15 -1.36 0.76 0.00 -1.23 0.00 0.00 174.94 172.95 1tfp s ALA 108 N 2.90 3.39 0.09 9.38 0.00 0.34 -2.75 121.76 135.11 1tfp s ALA 108 Ca 0.23 0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.39 1tfp s ALA 108 Cb -0.14 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1tfp s ALA 108 CO 0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 175.76 175.20 1tfp s ALA 109 N 1.31 2.10 -0.18 0.00 0.00 -0.40 0.29 121.76 124.88 1tfp s ALA 109 Ca 0.38 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1tfp s ALA 109 Cb -0.17 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.63 1tfp s ALA 109 CO 0.17 0.47 -0.05 -1.17 0.00 0.00 0.00 175.76 175.17 1tfp s LEU 110 N -1.68 1.80 0.09 0.00 2.96 0.66 -0.64 118.68 121.86 1tfp s LEU 110 Ca 0.10 -0.77 -0.08 0.00 -0.22 0.00 0.00 54.13 53.17 1tfp s LEU 110 Cb -0.10 -0.97 -0.06 0.00 0.50 0.00 0.00 46.19 45.57 1tfp s LEU 110 CO 0.04 -0.20 0.38 -0.76 -1.32 0.00 0.00 176.35 174.49 1tfp s LEU 111 N 1.59 4.32 0.02 -0.68 1.43 0.50 -2.66 118.68 123.21 1tfp s LEU 111 Ca -0.01 0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 53.59 1tfp s LEU 111 Cb -0.16 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.04 1tfp s LEU 111 CO -0.08 0.14 0.45 -0.44 0.23 0.00 0.00 176.35 176.65 1tfp s SER 112 N -1.99 -0.34 0.31 2.29 0.01 -0.94 -1.11 113.70 111.93 1tfp s SER 112 Ca 0.35 0.13 0.08 0.00 1.31 0.00 0.00 55.95 57.81 1tfp s SER 112 Cb -0.13 0.43 0.85 0.00 0.21 0.00 0.00 66.02 67.38 1tfp s SER 112 CO 0.20 -0.63 1.70 -0.65 0.41 0.00 0.00 173.24 174.27 1tfp h PRO 113 N 3.11 0.43 -0.01 12.44 0.11 -1.97 -2.93 132.00 143.18 1tfp h PRO 113 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1tfp h PRO 113 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1tfp h PRO 113 CO 0.42 0.28 0.00 1.19 -0.21 0.00 0.00 178.00 179.68 1tfp n PHE 114 N -5.00 0.01 -4.27 0.65 3.01 -1.26 -4.75 117.46 105.85 1tfp n PHE 114 Ca 0.25 -0.02 -0.17 0.00 1.01 0.00 0.00 57.45 58.52 1tfp n PHE 114 Cb 0.75 -0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 40.08 1tfp n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1tfp s SER 115 N -0.31 1.04 -0.05 4.37 0.15 -1.11 -5.14 113.70 112.65 1tfp s SER 115 Ca 0.04 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.45 1tfp s SER 115 Cb 0.03 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1tfp s SER 115 CO 0.04 0.03 -0.11 -0.31 1.20 0.00 0.00 173.24 174.09 1tfp s TYR 116 N -0.51 1.23 -0.09 3.44 1.51 -1.26 -2.21 117.35 119.46 1tfp s TYR 116 Ca 0.00 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1tfp s TYR 116 Cb -0.05 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 1tfp s TYR 116 CO 0.00 -0.19 -0.15 0.45 -1.11 0.00 0.00 175.55 174.55 1tfp s SER 117 N 0.44 2.25 -0.07 2.29 0.15 -1.09 -4.98 113.70 112.69 1tfp s SER 117 Ca -0.09 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1tfp s SER 117 Cb -0.13 -1.02 0.02 0.00 -1.71 0.00 0.00 66.02 63.19 1tfp s SER 117 CO 0.02 0.03 -0.06 0.42 1.20 0.00 0.00 173.24 174.85 1tfp s THR 118 N 0.82 0.77 -0.09 6.45 -4.23 -1.26 -0.25 115.64 117.85 1tfp s THR 118 Ca -0.11 -0.19 0.04 0.00 -1.18 0.00 0.00 61.69 60.25 1tfp s THR 118 Cb -0.16 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1tfp s THR 118 CO 0.01 0.30 -0.22 -0.89 -0.54 0.00 0.00 174.62 173.28 1tfp s THR 119 N 1.30 1.89 -0.27 3.99 2.01 0.14 -4.97 115.64 119.74 1tfp s THR 119 Ca -0.04 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.95 1tfp s THR 119 Cb -0.14 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 1tfp s THR 119 CO -0.03 0.52 0.10 0.00 -0.69 0.00 0.00 174.62 174.52 1tfp s ALA 120 N 0.34 3.21 -0.37 7.40 0.00 -1.26 -0.51 121.76 130.57 1tfp s ALA 120 Ca -0.16 -1.19 -0.12 0.00 0.00 0.00 0.00 51.96 50.49 1tfp s ALA 120 Cb -0.17 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.79 1tfp s ALA 120 CO 0.07 -0.59 0.22 0.08 0.00 0.00 0.00 175.76 175.54 1tfp s VAL 121 N 1.62 4.79 -0.10 0.00 1.01 -0.51 -4.95 120.40 122.26 1tfp s VAL 121 Ca 0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1tfp s VAL 121 Cb -0.16 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1tfp s VAL 121 CO 0.05 -0.18 0.14 -0.69 0.00 0.00 0.00 175.10 174.42 1tfp s VAL 122 N 1.61 5.45 0.00 2.92 1.01 -1.26 -1.54 120.40 128.59 1tfp s VAL 122 Ca 0.03 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1tfp s VAL 122 Cb -0.19 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1tfp s VAL 122 CO 0.08 0.58 0.00 -1.54 0.00 0.00 0.00 175.10 174.22