#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 0.01 -4.89 0.00 0.13 -1.88 -3.42 132.00 121.96 1tfp h PRO 11 Ca 0.00 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 1tfp h PRO 11 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 1tfp h PRO 11 CO 0.00 0.54 -0.81 -1.17 -0.23 0.00 0.00 178.00 176.33 1tfp s LEU 12 N -7.81 3.11 0.18 1.56 2.96 -1.26 0.08 118.68 117.49 1tfp s LEU 12 Ca -0.02 -1.22 0.11 0.00 -0.22 0.00 0.00 54.13 52.78 1tfp s LEU 12 Cb 0.13 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 1tfp s LEU 12 CO 0.75 -0.15 -0.23 -0.04 -1.32 0.00 0.00 176.35 175.36 1tfp s MET 13 N 1.16 1.44 0.11 1.98 -1.94 0.18 -4.66 119.30 117.57 1tfp s MET 13 Ca -0.06 -1.47 0.09 0.00 -1.71 0.00 0.00 55.69 52.54 1tfp s MET 13 Cb -0.18 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 34.88 1tfp s MET 13 CO -0.07 0.38 -0.21 0.08 -0.01 0.00 0.00 175.02 175.19 1tfp s VAL 14 N -1.66 1.79 -0.30 -6.03 1.01 -1.26 -0.89 120.40 113.06 1tfp s VAL 14 Ca 0.18 -1.61 0.01 0.00 0.00 0.00 0.00 61.98 60.57 1tfp s VAL 14 Cb -0.08 -1.64 0.15 0.00 0.00 0.00 0.00 36.38 34.81 1tfp s VAL 14 CO 0.09 -0.07 0.35 -0.75 0.00 0.00 0.00 175.10 174.72 1tfp s LYS 15 N -2.02 0.41 -0.17 2.72 2.47 -1.00 -4.22 119.74 117.93 1tfp s LYS 15 Ca 0.08 -0.16 -0.09 0.00 -1.56 0.00 0.00 55.97 54.24 1tfp s LYS 15 Cb -0.10 -0.53 -0.05 0.00 -1.46 0.00 0.00 37.83 35.70 1tfp s LYS 15 CO 0.05 -1.06 0.13 0.08 0.16 0.00 0.00 175.35 174.71 1tfp s VAL 16 N 2.27 5.41 -0.05 4.02 1.01 0.71 -1.92 120.40 131.85 1tfp s VAL 16 Ca 0.11 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.32 1tfp s VAL 16 Cb -0.13 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1tfp s VAL 16 CO -0.27 0.51 -0.20 -0.76 0.00 0.00 0.00 175.10 174.38 1tfp s LEU 17 N -0.18 2.38 -0.41 3.92 1.02 0.02 -0.88 118.68 124.55 1tfp s LEU 17 Ca 0.11 -0.37 -0.16 0.00 0.02 0.00 0.00 54.13 53.73 1tfp s LEU 17 Cb -0.11 -1.46 0.02 0.00 0.02 0.00 0.00 46.19 44.66 1tfp s LEU 17 CO 0.00 0.29 0.39 -0.62 0.02 0.00 0.00 176.35 176.44 1tfp s ASP 18 N -0.43 6.17 0.46 2.29 -1.08 0.11 -0.70 116.67 123.49 1tfp s ASP 18 Ca 0.05 -0.69 0.26 0.00 -0.52 0.00 0.00 52.55 51.65 1tfp s ASP 18 Cb -0.12 -2.20 0.98 0.00 -1.46 0.00 0.00 42.92 40.11 1tfp s ASP 18 CO 0.02 -0.52 1.84 0.00 0.52 0.00 0.00 175.17 177.03 1tfp h ALA 19 N 8.67 1.01 0.05 3.66 0.00 -1.26 0.45 119.26 131.84 1tfp h ALA 19 Ca -0.27 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 1tfp h ALA 19 Cb 1.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1tfp h ALA 19 CO 0.76 0.21 -1.22 0.28 0.00 0.00 0.00 179.25 179.28 1tfp h VAL 20 N 0.00 1.48 0.00 0.00 2.07 -1.93 -3.36 116.25 114.51 1tfp h VAL 20 Ca -0.00 -3.16 0.00 0.00 0.82 0.00 0.00 66.70 64.36 1tfp h VAL 20 Cb 0.72 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1tfp h VAL 20 CO 0.02 0.88 -0.79 0.54 0.02 0.00 0.00 177.57 178.24 1tfp n ARG 21 N -3.37 1.92 -3.24 1.57 1.74 -1.16 -5.04 116.66 109.08 1tfp n ARG 21 Ca -0.07 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 1tfp n ARG 21 Cb 0.99 -1.22 0.06 0.00 -1.02 0.00 0.00 32.46 31.27 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 1.37 -1.17 3.61 -0.13 0.00 0.16 -5.01 105.19 104.02 1tfp n GLY 22 Ca 0.02 0.58 -0.04 0.00 0.00 0.00 0.00 46.02 46.59 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 -3.36 -0.18 0.74 1.61 1.04 -1.13 -5.00 113.70 107.42 1tfp s SER 23 Ca 0.42 -0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.59 1tfp s SER 23 Cb -0.06 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.36 1tfp s SER 23 CO 0.74 -0.47 1.13 -2.65 0.98 0.00 0.00 173.24 172.97 1tfp n PRO 24 N -0.30 0.53 -3.47 4.02 -0.02 -1.26 0.06 135.00 134.56 1tfp n PRO 24 Ca -0.05 0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 1tfp n PRO 24 Cb 0.61 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 1tfp n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tfp s ALA 25 N -1.82 3.55 0.07 3.55 0.00 -0.05 -4.50 121.76 122.55 1tfp s ALA 25 Ca 0.76 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1tfp s ALA 25 Cb -0.33 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1tfp s ALA 25 CO 0.48 -0.65 0.25 0.00 0.00 0.00 0.00 175.76 175.84 1tfp s ALA 26 N 1.94 3.96 -1.18 0.00 0.00 -1.26 -3.48 121.76 121.73 1tfp s ALA 26 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1tfp s ALA 26 Cb -0.16 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1tfp s ALA 26 CO 0.10 0.79 0.00 -1.71 0.00 0.00 0.00 175.76 174.94 1tfp n ASN 27 N 0.32 -4.98 -4.69 0.00 5.15 -0.13 -4.91 115.26 106.01 1tfp n ASN 27 Ca -0.05 0.28 -0.41 0.00 -0.60 0.00 0.00 54.58 53.80 1tfp n ASN 27 Cb 0.51 -3.46 -0.04 0.00 -0.53 0.00 0.00 39.78 36.26 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 -2.20 4.92 -0.02 3.44 -7.23 -1.26 -4.75 120.40 113.30 1tfp s VAL 28 Ca 0.00 1.62 -0.30 0.00 -1.81 0.00 0.00 61.98 61.49 1tfp s VAL 28 Cb 0.00 -4.13 -0.04 0.00 0.56 0.00 0.00 36.38 32.77 1tfp s VAL 28 CO 0.00 0.10 1.23 0.00 -0.31 0.00 0.00 175.10 176.12 1tfp s ALA 29 N 1.69 3.49 -0.15 1.32 0.00 -1.24 -2.05 121.76 124.83 1tfp s ALA 29 Ca 0.39 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 53.04 1tfp s ALA 29 Cb -0.17 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1tfp s ALA 29 CO 0.15 -0.72 -0.08 0.08 0.00 0.00 0.00 175.76 175.19 1tfp s VAL 30 N 2.01 3.48 -0.10 0.00 1.01 -0.79 -1.18 120.40 124.82 1tfp s VAL 30 Ca 0.58 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1tfp s VAL 30 Cb -0.27 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1tfp s VAL 30 CO 0.24 0.51 -0.19 -0.54 0.00 0.00 0.00 175.10 175.12 1tfp s LYS 31 N 0.39 2.55 0.01 2.72 1.02 -0.40 -1.74 119.74 124.28 1tfp s LYS 31 Ca -0.07 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.25 1tfp s LYS 31 Cb -0.15 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 1tfp s LYS 31 CO 0.04 0.06 -0.04 0.08 -0.92 0.00 0.00 175.35 174.57 1tfp s VAL 32 N 0.63 3.85 0.14 3.17 1.01 -1.06 -0.61 120.40 127.53 1tfp s VAL 32 Ca -0.14 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1tfp s VAL 32 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1tfp s VAL 32 CO 0.04 0.37 -0.06 -0.36 0.00 0.00 0.00 175.10 175.09 1tfp s PHE 33 N -1.05 1.13 -0.06 5.22 0.40 -0.00 -1.20 117.98 122.43 1tfp s PHE 33 Ca 0.18 -0.89 0.03 0.00 -0.60 0.00 0.00 56.93 55.66 1tfp s PHE 33 Cb -0.11 -0.62 0.01 0.00 0.51 0.00 0.00 43.02 42.80 1tfp s PHE 33 CO 0.09 -0.08 -0.14 0.21 0.70 0.00 0.00 175.22 176.00 1tfp s LYS 34 N -3.82 1.72 -0.50 0.44 2.20 -0.29 -1.09 119.74 118.40 1tfp s LYS 34 Ca 0.17 -0.48 -0.27 0.00 -0.36 0.00 0.00 55.97 55.03 1tfp s LYS 34 Cb 0.05 -1.44 0.03 0.00 -1.51 0.00 0.00 37.83 34.95 1tfp s LYS 34 CO -0.00 0.11 1.07 0.21 -0.36 0.00 0.00 175.35 176.37 1tfp s LYS 35 N 0.42 3.58 0.81 4.03 2.20 -0.22 -0.40 119.74 130.16 1tfp s LYS 35 Ca -0.11 0.29 -0.11 0.00 -0.36 0.00 0.00 55.97 55.68 1tfp s LYS 35 Cb -0.14 -3.95 0.08 0.00 -1.51 0.00 0.00 37.83 32.31 1tfp s LYS 35 CO 0.03 -1.41 1.09 0.00 -0.36 0.00 0.00 175.35 174.71 1tfp s ALA 36 N 4.30 2.03 -0.51 3.13 0.00 0.75 -4.64 121.76 126.83 1tfp s ALA 36 Ca 0.42 0.22 0.12 0.00 0.00 0.00 0.00 51.96 52.72 1tfp s ALA 36 Cb -0.09 -3.27 0.65 0.00 0.00 0.00 0.00 23.12 20.41 1tfp s ALA 36 CO 0.28 -1.98 1.35 0.00 0.00 0.00 0.00 175.76 175.41 1tfp n ALA 37 N -3.66 0.98 1.89 0.00 0.00 -1.26 -0.18 120.51 118.28 1tfp n ALA 37 Ca 0.09 0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.79 1tfp n ALA 37 Cb 0.53 -1.13 0.84 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.91 0.33 -0.24 0.00 8.00 -1.26 -4.86 116.55 116.60 1tfp n ASP 38 Ca -0.01 -1.12 -0.03 0.00 0.71 0.00 0.00 54.79 54.34 1tfp n ASP 38 Cb 0.05 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 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 1.03 0.62 3.60 0.44 0.00 0.75 -5.01 105.19 106.62 1tfp n GLY 39 Ca 0.23 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.03 3.64 -0.53 2.61 -1.32 -1.23 -4.90 115.64 111.89 1tfp s THR 40 Ca 0.00 -0.79 -0.25 0.00 -1.21 0.00 0.00 61.69 59.43 1tfp s THR 40 Cb 0.00 -2.59 0.04 0.00 -1.51 0.00 0.00 72.50 68.44 1tfp s THR 40 CO 0.00 0.38 0.98 0.26 -2.21 0.00 0.00 174.62 174.03 1tfp s TRP 41 N -1.01 2.79 0.13 9.09 0.52 -1.26 -0.18 118.94 129.02 1tfp s TRP 41 Ca 0.17 0.16 -0.21 0.00 0.02 0.00 0.00 56.10 56.25 1tfp s TRP 41 Cb -0.11 -4.13 -0.07 0.00 -1.15 0.00 0.00 33.47 28.00 1tfp s TRP 41 CO 0.08 -1.33 0.65 -1.14 0.02 0.00 0.00 176.95 175.23 1tfp s GLN 42 N 4.08 4.29 0.34 4.98 2.00 0.47 -4.86 119.66 130.96 1tfp s GLN 42 Ca 0.34 0.86 -0.29 0.00 -2.00 0.00 0.00 55.36 54.27 1tfp s GLN 42 Cb -0.11 -3.16 -0.11 0.00 0.80 0.00 0.00 33.01 30.43 1tfp s GLN 42 CO 0.22 0.57 1.41 0.34 -0.50 0.00 0.00 175.29 177.33 1tfp s ASP 43 N -1.26 6.55 0.07 6.67 2.15 -1.26 -1.13 116.67 128.46 1tfp s ASP 43 Ca 0.34 2.87 0.00 0.00 0.43 0.00 0.00 52.55 56.19 1tfp s ASP 43 Cb -0.20 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 39.77 1tfp s ASP 43 CO 0.21 -0.72 0.00 0.33 -0.17 0.00 0.00 175.17 174.82 1tfp n PHE 44 N 0.82 -0.10 -4.25 -5.34 7.35 -0.34 -4.76 117.46 110.85 1tfp n PHE 44 Ca 0.01 0.02 -0.14 0.00 -0.76 0.00 0.00 57.45 56.58 1tfp n PHE 44 Cb 0.40 0.03 -0.05 0.00 0.35 0.00 0.00 39.48 40.22 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 -3.17 0.40 0.00 3.13 0.00 -1.13 -5.00 120.51 114.74 1tfp n ALA 45 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1tfp n ALA 45 Cb 0.00 0.92 0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 -0.49 0.00 -2.88 0.00 5.66 -1.26 -2.55 114.28 112.76 1tfp n THR 46 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1tfp n THR 46 Cb 0.38 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 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 -0.16 1.72 3.03 1.09 0.00 -0.71 -5.01 105.19 105.16 1tfp n GLY 47 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.41 0.18 0.48 1.61 1.02 -1.26 -1.89 119.74 119.46 1tfp s LYS 48 Ca 0.00 0.66 -0.21 0.00 0.02 0.00 0.00 55.97 56.44 1tfp s LYS 48 Cb 0.00 -0.07 -0.11 0.00 -0.52 0.00 0.00 37.83 37.13 1tfp s LYS 48 CO 0.00 -0.23 0.62 0.25 -0.92 0.00 0.00 175.35 175.06 1tfp n THR 49 N 4.88 2.07 -2.28 2.17 -2.24 -0.87 -4.71 114.28 113.30 1tfp n THR 49 Ca -0.14 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 1tfp n THR 49 Cb 0.51 -0.69 0.05 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.11 0.00 0.10 4.28 -2.24 0.98 -0.96 114.28 115.33 1tfp n THR 50 Ca 0.11 -0.57 0.01 0.00 -2.27 0.00 0.00 64.05 61.33 1tfp n THR 50 Cb 0.42 -1.26 0.05 0.00 -2.10 0.00 0.00 70.33 67.44 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 -1.73 0.04 -0.17 -0.78 0.28 -1.26 -0.44 120.64 116.57 1tfp n GLU 51 Ca 0.06 0.14 0.07 0.00 -0.16 0.00 0.00 57.16 57.28 1tfp n GLU 51 Cb 0.22 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.74 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 -1.15 0.30 -2.24 -1.84 3.72 -1.26 -4.74 117.46 110.25 1tfp n PHE 52 Ca 0.01 -0.83 -0.20 0.00 -0.05 0.00 0.00 57.45 56.38 1tfp n PHE 52 Cb 0.01 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.36 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 -0.83 -0.03 3.36 1.37 0.00 0.41 -4.69 105.19 104.78 1tfp n GLY 53 Ca 0.14 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.78 1.35 -0.07 1.61 2.02 -1.26 -0.20 118.70 117.36 1tfp s GLU 54 Ca 0.00 -1.50 0.05 0.00 0.02 0.00 0.00 54.97 53.54 1tfp s GLU 54 Cb 0.00 -1.37 -0.01 0.00 0.10 0.00 0.00 34.13 32.85 1tfp s GLU 54 CO 0.00 0.27 -0.24 0.42 0.02 0.00 0.00 175.26 175.73 1tfp s ILE 55 N -2.27 2.02 -0.19 -1.63 1.01 -1.26 -0.02 121.20 118.86 1tfp s ILE 55 Ca 0.19 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1tfp s ILE 55 Cb -0.05 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1tfp s ILE 55 CO 0.08 0.56 -0.03 -1.00 0.00 0.00 0.00 174.94 174.54 1tfp s HIS 56 N 0.05 2.98 -0.55 3.97 3.76 -1.26 -4.64 115.29 119.61 1tfp s HIS 56 Ca -0.10 -0.62 -0.03 0.00 -0.15 0.00 0.00 55.06 54.17 1tfp s HIS 56 Cb -0.15 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 1tfp s HIS 56 CO 0.06 -0.31 0.48 0.39 -0.85 0.00 0.00 174.74 174.50 1tfp n GLU 57 N 4.25 -1.27 0.06 1.40 1.02 -1.26 -4.98 120.64 119.86 1tfp n GLU 57 Ca -0.18 0.45 -0.11 0.00 -0.02 0.00 0.00 57.16 57.30 1tfp n GLU 57 Cb 0.52 -3.76 -0.08 0.00 -0.02 0.00 0.00 31.44 28.09 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 -0.18 -8.36 -4.62 3.38 -1.83 -3.48 115.31 99.65 1tfp h LEU 58 Ca -0.31 -0.36 -0.17 0.00 0.09 0.00 0.00 57.88 57.13 1tfp h LEU 58 Cb 1.16 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 1tfp h LEU 58 CO 0.23 0.36 -0.56 0.28 0.09 0.00 0.00 178.44 178.84 1tfp s THR 59 N -3.58 0.08 0.13 0.22 -1.32 -1.26 -4.74 115.64 105.17 1tfp s THR 59 Ca -0.13 -1.79 0.02 0.00 -1.21 0.00 0.00 61.69 58.59 1tfp s THR 59 Cb 0.01 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.91 1tfp s THR 59 CO 0.50 -0.37 0.24 0.42 -2.21 0.00 0.00 174.62 173.20 1tfp s THR 60 N -4.04 5.18 0.47 5.08 -4.23 -1.26 -4.47 115.64 112.37 1tfp s THR 60 Ca 0.24 -0.70 0.21 0.00 -1.18 0.00 0.00 61.69 60.26 1tfp s THR 60 Cb 0.06 -3.63 0.39 0.00 1.34 0.00 0.00 72.50 70.66 1tfp s THR 60 CO 0.03 -0.05 1.93 -0.33 -0.54 0.00 0.00 174.62 175.66 1tfp h GLU 61 N 2.38 0.23 0.00 3.99 4.39 -1.97 0.33 114.58 123.93 1tfp h GLU 61 Ca -0.48 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 1tfp h GLU 61 Cb 1.19 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1tfp h GLU 61 CO 0.69 0.15 -0.51 1.05 -1.16 0.00 0.00 179.01 179.23 1tfp h GLU 62 N 0.23 0.00 0.04 2.33 9.09 -2.04 -3.33 114.58 120.90 1tfp h GLU 62 Ca 0.35 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.47 1tfp h GLU 62 Cb 1.04 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.11 1tfp h GLU 62 CO -0.08 0.02 -1.61 0.37 0.05 0.00 0.00 179.01 177.76 1tfp h GLN 63 N 0.00 0.07 -5.61 1.06 5.75 -0.84 -3.43 115.11 112.12 1tfp h GLN 63 Ca -0.00 -0.13 -0.63 0.00 -0.15 0.00 0.00 58.65 57.74 1tfp h GLN 63 Cb 1.02 0.05 -0.13 0.00 1.07 0.00 0.00 27.48 29.48 1tfp h GLN 63 CO 0.00 0.76 1.04 0.12 -2.65 0.00 0.00 178.83 178.10 1tfp s PHE 64 N -2.61 2.75 0.46 3.99 5.36 -0.02 -4.93 117.98 122.99 1tfp s PHE 64 Ca -0.07 -0.92 0.08 0.00 -0.96 0.00 0.00 56.93 55.07 1tfp s PHE 64 Cb 0.08 -4.46 0.03 0.00 -0.34 0.00 0.00 43.02 38.32 1tfp s PHE 64 CO 0.82 -1.73 0.60 0.14 -1.46 0.00 0.00 175.22 173.58 1tfp s VAL 65 N 4.03 2.68 -0.05 3.12 -7.23 -1.26 -4.93 120.40 116.76 1tfp s VAL 65 Ca 0.36 -1.06 -0.34 0.00 -1.81 0.00 0.00 61.98 59.12 1tfp s VAL 65 Cb -0.06 -2.75 -0.12 0.00 0.56 0.00 0.00 36.38 34.01 1tfp s VAL 65 CO -0.04 0.00 1.80 -0.62 -0.31 0.00 0.00 175.10 175.94 1tfp n GLU 66 N -1.91 2.10 0.00 4.82 1.02 -1.24 -4.79 120.64 120.63 1tfp n GLU 66 Ca 0.09 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1tfp n GLU 66 Cb 0.60 -2.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 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 4.17 0.73 3.68 0.62 0.00 -0.12 -5.00 105.19 109.27 1tfp n GLY 67 Ca 0.22 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 5.02 0.20 1.61 1.01 -1.26 -0.24 120.40 124.75 1tfp s VAL 68 Ca 0.00 1.29 0.11 0.00 0.00 0.00 0.00 61.98 63.38 1tfp s VAL 68 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1tfp s VAL 68 CO 0.00 0.16 -0.18 -0.31 0.00 0.00 0.00 175.10 174.76 1tfp s TYR 69 N 1.54 2.42 -0.11 5.22 1.51 -0.46 -1.05 117.35 126.41 1tfp s TYR 69 Ca 0.32 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1tfp s TYR 69 Cb -0.16 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1tfp s TYR 69 CO 0.13 0.54 -0.06 0.50 -1.11 0.00 0.00 175.55 175.54 1tfp s ARG 70 N -2.86 1.34 -0.35 -0.62 3.52 -0.25 -2.50 118.95 117.22 1tfp s ARG 70 Ca 0.24 -0.21 -0.09 0.00 -0.13 0.00 0.00 55.73 55.53 1tfp s ARG 70 Cb -0.08 -1.52 0.02 0.00 -1.56 0.00 0.00 34.95 31.82 1tfp s ARG 70 CO 0.13 -0.29 0.16 0.08 -0.81 0.00 0.00 175.30 174.57 1tfp s VAL 71 N 1.75 4.33 -0.23 7.11 1.01 -0.27 -0.82 120.40 133.28 1tfp s VAL 71 Ca 0.05 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 1tfp s VAL 71 Cb -0.13 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1tfp s VAL 71 CO -0.08 -0.16 0.11 -0.70 0.00 0.00 0.00 175.10 174.27 1tfp s GLU 72 N 1.52 3.89 -1.09 2.72 2.12 0.22 -1.69 118.70 126.39 1tfp s GLU 72 Ca 0.01 -0.37 -0.12 0.00 0.36 0.00 0.00 54.97 54.86 1tfp s GLU 72 Cb -0.19 -3.39 0.23 0.00 0.26 0.00 0.00 34.13 31.05 1tfp s GLU 72 CO 0.05 0.02 1.15 -0.06 -0.54 0.00 0.00 175.26 175.87 1tfp s PHE 73 N 1.12 3.94 -0.58 5.30 0.08 -0.25 -1.28 117.98 126.30 1tfp s PHE 73 Ca 0.05 -2.37 -0.27 0.00 0.12 0.00 0.00 56.93 54.46 1tfp s PHE 73 Cb -0.14 -3.98 -0.03 0.00 -0.57 0.00 0.00 43.02 38.30 1tfp s PHE 73 CO 0.04 -1.10 1.92 0.34 -0.10 0.00 0.00 175.22 176.31 1tfp s ASP 74 N 1.96 5.22 -0.10 1.36 -1.08 -0.33 -3.88 116.67 119.82 1tfp s ASP 74 Ca 0.32 0.47 0.13 0.00 -0.52 0.00 0.00 52.55 52.96 1tfp s ASP 74 Cb -0.08 -2.53 0.30 0.00 -1.46 0.00 0.00 42.92 39.16 1tfp s ASP 74 CO -0.06 -2.39 1.21 0.35 0.52 0.00 0.00 175.17 174.79 1tfp n THR 75 N 7.31 1.70 -0.31 1.71 -2.24 -1.26 -3.63 114.28 117.56 1tfp n THR 75 Ca 0.22 -1.73 0.06 0.00 -2.27 0.00 0.00 64.05 60.32 1tfp n THR 75 Cb 0.52 0.01 0.13 0.00 -2.10 0.00 0.00 70.33 68.88 1tfp n THR 75 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1tfp n SER 76 N -0.72 -0.30 -0.50 3.42 7.64 -1.26 -1.56 113.62 120.34 1tfp n SER 76 Ca 0.14 1.49 0.05 0.00 1.01 0.00 0.00 58.87 61.56 1tfp n SER 76 Cb 0.60 -0.46 0.10 0.00 -1.01 0.00 0.00 64.21 63.45 1tfp n SER 76 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1tfp n SER 77 N -5.41 2.44 -0.28 6.43 3.41 -1.26 -4.64 113.62 114.31 1tfp n SER 77 Ca 0.14 -1.78 0.23 0.00 -0.26 0.00 0.00 58.87 57.21 1tfp n SER 77 Cb 0.44 -0.13 0.56 0.00 -0.26 0.00 0.00 64.21 64.82 1tfp n SER 77 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1tfp h TYR 78 N 1.84 0.48 -0.64 7.33 3.20 -1.61 0.75 116.97 128.32 1tfp h TYR 78 Ca 0.00 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.66 1tfp h TYR 78 Cb 0.59 -0.14 -0.13 0.00 1.54 0.00 0.00 36.73 38.59 1tfp h TYR 78 CO 0.13 0.08 0.23 0.91 -1.64 0.00 0.00 178.16 177.86 1tfp n TRP 79 N -4.50 2.09 -0.10 -3.82 7.02 -1.26 -4.64 117.44 112.23 1tfp n TRP 79 Ca 0.22 -1.32 -0.10 0.00 -1.02 0.00 0.00 57.50 55.29 1tfp n TRP 79 Cb 0.86 -0.64 -0.02 0.00 -2.42 0.00 0.00 31.31 29.09 1tfp n TRP 79 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1tfp h LYS 80 N 2.01 0.45 0.00 -0.99 3.64 -1.17 -2.79 116.57 117.72 1tfp h LYS 80 Ca 0.27 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1tfp h LYS 80 Cb 2.17 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 1tfp h LYS 80 CO 0.66 0.44 0.00 0.78 -2.27 0.00 0.00 179.45 179.05 1tfp h GLY 81 N 0.36 0.00 0.96 5.01 0.00 -1.82 -2.54 103.07 105.04 1tfp h GLY 81 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1tfp h GLY 81 CO -0.01 0.00 -1.02 1.04 0.00 0.00 0.00 176.54 176.55 1tfp n LEU 82 N -2.80 0.81 -1.93 3.11 4.32 -1.10 -4.98 117.00 114.43 1tfp n LEU 82 Ca -0.00 0.31 -0.09 0.00 -0.02 0.00 0.00 56.01 56.20 1tfp n LEU 82 Cb 0.19 -0.06 0.04 0.00 -1.62 0.00 0.00 43.42 41.96 1tfp n LEU 82 CO 0.21 -0.17 0.08 0.61 -1.22 0.00 0.00 177.39 176.90 1tfp n GLY 83 N 1.19 0.21 0.33 -0.72 0.00 -0.96 -5.01 105.19 100.24 1tfp n GLY 83 Ca 0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.39 1.56 -4.25 0.99 4.77 -1.15 -4.92 117.00 111.62 1tfp n LEU 84 Ca -0.06 0.27 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 1tfp n LEU 84 Cb 0.55 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1tfp n LEU 84 CO 0.27 0.27 0.18 -0.55 -1.33 0.00 0.00 177.39 176.23 1tfp s SER 85 N -6.72 6.09 0.05 -1.43 0.15 -1.26 -4.88 113.70 105.71 1tfp s SER 85 Ca -0.28 -2.35 0.26 0.00 0.70 0.00 0.00 55.95 54.27 1tfp s SER 85 Cb 0.10 -2.09 1.05 0.00 -1.71 0.00 0.00 66.02 63.37 1tfp s SER 85 CO 0.37 -0.62 1.82 -0.81 1.20 0.00 0.00 173.24 175.19 1tfp n PRO 86 N 4.36 0.05 -0.01 5.44 -0.04 -1.26 -2.58 135.00 140.96 1tfp n PRO 86 Ca 0.02 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 1tfp n PRO 86 Cb 0.42 -1.57 0.42 0.00 -0.04 0.00 0.00 33.50 32.74 1tfp n PRO 86 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1tfp n PHE 87 N -1.66 0.02 -3.48 0.54 3.72 -1.26 -4.99 117.46 110.35 1tfp n PHE 87 Ca 0.06 -0.01 -0.17 0.00 -0.05 0.00 0.00 57.45 57.28 1tfp n PHE 87 Cb 0.32 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.87 1tfp n PHE 87 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1tfp n HIS 88 N 0.45 -2.38 -3.40 1.38 8.25 -1.07 -4.98 115.22 113.47 1tfp n HIS 88 Ca 0.18 0.86 -0.33 0.00 -0.26 0.00 0.00 57.72 58.17 1tfp n HIS 88 Cb 0.41 -3.47 -0.05 0.00 1.12 0.00 0.00 29.99 28.00 1tfp n HIS 88 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1tfp s GLU 89 N -4.45 3.86 0.21 -0.41 2.02 -1.26 -4.80 118.70 113.87 1tfp s GLU 89 Ca 0.12 0.34 -0.23 0.00 0.02 0.00 0.00 54.97 55.22 1tfp s GLU 89 Cb -0.04 -2.75 0.04 0.00 0.10 0.00 0.00 34.13 31.49 1tfp s GLU 89 CO 0.83 0.37 0.84 1.52 0.02 0.00 0.00 175.26 178.84 1tfp s TYR 90 N -1.69 -0.18 0.15 1.61 -0.85 -1.26 -4.01 117.35 111.12 1tfp s TYR 90 Ca 0.44 -0.19 -0.05 0.00 -0.52 0.00 0.00 57.07 56.74 1tfp s TYR 90 Cb -0.12 0.67 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 1tfp s TYR 90 CO 0.20 -1.01 0.18 0.00 -1.52 0.00 0.00 175.55 173.40 1tfp s ALA 91 N -3.59 0.40 0.22 9.51 0.00 -1.25 -5.03 121.76 122.02 1tfp s ALA 91 Ca 0.11 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 51.00 1tfp s ALA 91 Cb -0.03 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1tfp s ALA 91 CO 0.04 -0.57 -0.16 -0.51 0.00 0.00 0.00 175.76 174.56 1tfp s ASP 92 N -3.01 2.80 -0.01 0.00 1.01 -1.26 -1.09 116.67 115.12 1tfp s ASP 92 Ca 0.20 -1.02 0.01 0.00 0.71 0.00 0.00 52.55 52.45 1tfp s ASP 92 Cb 0.05 -0.17 0.00 0.00 1.01 0.00 0.00 42.92 43.81 1tfp s ASP 92 CO 0.01 -0.12 -0.04 -0.69 0.21 0.00 0.00 175.17 174.54 1tfp s VAL 93 N -2.87 0.31 -0.25 -1.27 1.01 -0.68 -4.97 120.40 111.68 1tfp s VAL 93 Ca 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1tfp s VAL 93 Cb -0.02 -0.29 0.08 0.00 0.00 0.00 0.00 36.38 36.15 1tfp s VAL 93 CO 0.09 0.11 0.06 -0.69 0.00 0.00 0.00 175.10 174.66 1tfp s VAL 94 N 0.11 0.73 0.34 2.92 1.01 -1.26 -1.12 120.40 123.13 1tfp s VAL 94 Ca -0.01 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.07 1tfp s VAL 94 Cb -0.04 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 1tfp s VAL 94 CO -0.00 -0.44 -0.08 0.72 0.00 0.00 0.00 175.10 175.30 1tfp s PHE 95 N 1.73 2.43 -0.36 5.22 -0.71 -1.04 -4.98 117.98 120.27 1tfp s PHE 95 Ca 0.04 -0.48 -0.12 0.00 -1.04 0.00 0.00 56.93 55.33 1tfp s PHE 95 Cb -0.17 -1.38 0.01 0.00 -1.21 0.00 0.00 43.02 40.26 1tfp s PHE 95 CO -0.17 0.57 0.22 0.99 -1.34 0.00 0.00 175.22 175.49 1tfp s THR 96 N -2.58 4.91 -0.47 -4.49 2.01 -1.26 -1.36 115.64 112.39 1tfp s THR 96 Ca 0.33 -0.55 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 1tfp s THR 96 Cb 0.02 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.95 1tfp s THR 96 CO 0.17 -0.12 0.49 0.00 -0.69 0.00 0.00 174.62 174.46 1tfp s ALA 97 N 1.64 3.47 -0.39 7.40 0.00 0.67 -4.48 121.76 130.07 1tfp s ALA 97 Ca 0.04 -1.85 -0.00 0.00 0.00 0.00 0.00 51.96 50.15 1tfp s ALA 97 Cb -0.18 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1tfp s ALA 97 CO 0.08 -1.80 0.33 0.09 0.00 0.00 0.00 175.76 174.46 1tfp n ASN 98 N 5.65 -2.25 -1.39 0.00 3.02 -1.26 -0.94 115.26 118.09 1tfp n ASN 98 Ca -0.09 -0.21 -0.07 0.00 -0.03 0.00 0.00 54.58 54.18 1tfp n ASN 98 Cb 0.45 -2.04 0.08 0.00 -0.61 0.00 0.00 39.78 37.66 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 -1.76 3.20 0.00 6.41 5.75 -1.26 -4.33 116.55 124.56 1tfp n ASP 99 Ca -0.09 -2.55 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 1tfp n ASP 99 Cb 0.55 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1tfp n ASP 99 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1tfp n SER 100 N -0.05 0.00 0.00 -1.12 2.88 -1.26 -5.15 113.62 108.92 1tfp n SER 100 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1tfp n SER 100 Cb 0.88 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 1tfp n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tfp n GLY 101 N 0.00 0.02 3.01 0.46 0.00 -1.26 -4.84 105.19 102.58 1tfp n GLY 101 Ca 0.00 -1.21 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 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 1.15 0.07 1.61 3.76 -1.26 -4.76 115.29 115.85 1tfp s HIS 102 Ca 0.00 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.59 1tfp s HIS 102 Cb 0.00 -0.83 -0.01 0.00 1.11 0.00 0.00 32.58 32.85 1tfp s HIS 102 CO 0.00 -0.16 0.06 0.54 -0.85 0.00 0.00 174.74 174.32 1tfp n ARG 103 N 3.50 0.21 -4.74 1.40 1.74 -1.26 -5.10 116.66 112.40 1tfp n ARG 103 Ca -0.20 -0.71 -0.24 0.00 -0.77 0.00 0.00 57.85 55.92 1tfp n ARG 103 Cb 0.53 0.55 -0.15 0.00 -1.02 0.00 0.00 32.46 32.37 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 -2.22 1.48 0.01 -1.55 3.76 -1.26 -4.82 115.29 110.69 1tfp s HIS 104 Ca 0.08 -0.29 0.05 0.00 -0.15 0.00 0.00 55.06 54.75 1tfp s HIS 104 Cb 0.00 -0.94 -0.02 0.00 1.11 0.00 0.00 32.58 32.73 1tfp s HIS 104 CO 0.06 -0.01 -0.17 0.71 -0.85 0.00 0.00 174.74 174.48 1tfp s TYR 105 N -0.45 1.47 -0.20 1.40 1.51 0.11 -1.59 117.35 119.61 1tfp s TYR 105 Ca 0.06 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1tfp s TYR 105 Cb -0.07 -0.92 0.06 0.00 -0.11 0.00 0.00 41.96 40.92 1tfp s TYR 105 CO -0.00 0.01 -0.01 0.99 -1.11 0.00 0.00 175.55 175.43 1tfp s THR 106 N -0.57 0.99 -0.58 -0.71 2.01 -0.86 -0.65 115.64 115.27 1tfp s THR 106 Ca 0.05 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 61.04 1tfp s THR 106 Cb -0.07 -1.35 0.08 0.00 0.01 0.00 0.00 72.50 71.17 1tfp s THR 106 CO 0.00 -0.11 0.76 -0.63 -0.69 0.00 0.00 174.62 173.95 1tfp s ILE 107 N 1.65 4.70 -0.27 1.82 -1.09 -0.07 -0.68 121.20 127.25 1tfp s ILE 107 Ca -0.02 -0.64 -0.17 0.00 -2.23 0.00 0.00 60.65 57.59 1tfp s ILE 107 Cb -0.17 -4.49 -0.03 0.00 -1.58 0.00 0.00 42.46 36.19 1tfp s ILE 107 CO -0.07 -1.11 0.49 0.00 -1.23 0.00 0.00 174.94 173.02 1tfp s ALA 108 N 3.06 3.58 0.12 9.38 0.00 0.70 -2.37 121.76 136.22 1tfp s ALA 108 Ca 0.16 -0.67 0.10 0.00 0.00 0.00 0.00 51.96 51.55 1tfp s ALA 108 Cb -0.20 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1tfp s ALA 108 CO 0.09 -0.76 -0.22 0.00 0.00 0.00 0.00 175.76 174.87 1tfp s ALA 109 N 2.28 2.53 -0.13 0.00 0.00 -0.81 -0.01 121.76 125.61 1tfp s ALA 109 Ca 0.20 -1.39 -0.00 0.00 0.00 0.00 0.00 51.96 50.76 1tfp s ALA 109 Cb -0.16 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.46 1tfp s ALA 109 CO 0.10 0.57 -0.07 -1.17 0.00 0.00 0.00 175.76 175.18 1tfp s LEU 110 N -2.03 1.37 -0.11 0.00 2.96 0.61 -0.80 118.68 120.68 1tfp s LEU 110 Ca 0.16 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 1tfp s LEU 110 Cb -0.10 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 1tfp s LEU 110 CO 0.08 -0.14 0.10 -0.76 -1.32 0.00 0.00 176.35 174.31 1tfp s LEU 111 N 1.67 4.15 0.04 -0.68 1.43 0.12 -3.09 118.68 122.32 1tfp s LEU 111 Ca 0.03 0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 53.40 1tfp s LEU 111 Cb -0.14 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1tfp s LEU 111 CO -0.08 0.40 0.22 -0.44 0.23 0.00 0.00 176.35 176.68 1tfp s SER 112 N -1.00 -0.01 0.28 2.29 0.01 -1.00 -0.81 113.70 113.45 1tfp s SER 112 Ca 0.15 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1tfp s SER 112 Cb -0.12 0.31 0.64 0.00 0.21 0.00 0.00 66.02 67.06 1tfp s SER 112 CO 0.04 -0.57 1.66 -0.65 0.41 0.00 0.00 173.24 174.13 1tfp h PRO 113 N 3.40 0.24 -0.01 12.44 0.11 -1.99 -3.03 132.00 143.17 1tfp h PRO 113 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1tfp h PRO 113 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1tfp h PRO 113 CO 0.48 0.16 -0.05 1.19 -0.21 0.00 0.00 178.00 179.56 1tfp n PHE 114 N -5.18 0.00 -4.05 0.65 3.01 -1.26 -4.65 117.46 105.98 1tfp n PHE 114 Ca 0.19 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.50 1tfp n PHE 114 Cb 0.61 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.94 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 -0.90 0.44 0.04 4.37 0.15 -1.15 -5.12 113.70 111.53 1tfp s SER 115 Ca 0.10 -0.06 0.06 0.00 0.70 0.00 0.00 55.95 56.74 1tfp s SER 115 Cb 0.07 -0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 1tfp s SER 115 CO 0.14 0.02 -0.17 -0.31 1.20 0.00 0.00 173.24 174.13 1tfp s TYR 116 N 0.13 1.45 -0.19 3.44 1.51 -1.26 -2.39 117.35 120.04 1tfp s TYR 116 Ca -0.01 -0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1tfp s TYR 116 Cb -0.04 -0.86 0.09 0.00 -0.11 0.00 0.00 41.96 41.04 1tfp s TYR 116 CO -0.00 0.05 0.30 0.45 -1.11 0.00 0.00 175.55 175.24 1tfp s SER 117 N -1.09 0.52 -0.07 2.29 0.15 -1.18 -5.00 113.70 109.32 1tfp s SER 117 Ca 0.04 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1tfp s SER 117 Cb -0.08 0.81 0.02 0.00 -1.71 0.00 0.00 66.02 65.06 1tfp s SER 117 CO 0.01 -0.28 -0.05 0.42 1.20 0.00 0.00 173.24 174.55 1tfp s THR 118 N 2.45 0.64 -0.05 6.45 -4.23 -1.26 -0.28 115.64 119.37 1tfp s THR 118 Ca 0.06 -0.12 0.06 0.00 -1.18 0.00 0.00 61.69 60.50 1tfp s THR 118 Cb -0.14 -0.69 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 1tfp s THR 118 CO -0.12 0.28 -0.23 -0.89 -0.54 0.00 0.00 174.62 173.11 1tfp s THR 119 N 1.34 1.90 -0.23 3.99 2.01 0.98 -4.96 115.64 120.66 1tfp s THR 119 Ca -0.04 -0.99 -0.07 0.00 0.31 0.00 0.00 61.69 60.91 1tfp s THR 119 Cb -0.14 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1tfp s THR 119 CO -0.03 0.53 0.05 0.00 -0.69 0.00 0.00 174.62 174.48 1tfp s ALA 120 N -0.19 3.15 -0.47 7.40 0.00 -1.26 -0.22 121.76 130.17 1tfp s ALA 120 Ca -0.01 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 1tfp s ALA 120 Cb -0.13 -1.97 0.11 0.00 0.00 0.00 0.00 23.12 21.14 1tfp s ALA 120 CO 0.03 -0.31 0.34 0.08 0.00 0.00 0.00 175.76 175.90 1tfp s VAL 121 N 1.28 4.30 -0.05 0.00 1.01 0.14 -4.96 120.40 122.12 1tfp s VAL 121 Ca 0.04 -1.68 -0.17 0.00 0.00 0.00 0.00 61.98 60.18 1tfp s VAL 121 Cb -0.15 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1tfp s VAL 121 CO 0.03 -0.73 0.45 -0.69 0.00 0.00 0.00 175.10 174.16 1tfp s VAL 122 N 1.40 5.08 0.00 2.92 1.01 -1.26 -2.03 120.40 127.51 1tfp s VAL 122 Ca 0.05 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1tfp s VAL 122 Cb -0.26 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1tfp s VAL 122 CO 0.00 0.46 0.00 -1.54 0.00 0.00 0.00 175.10 174.02