#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw3 s GLN 2 N 0.00 2.10 0.07 5.31 0.74 -1.26 -0.37 119.66 126.25 1bw3 s GLN 2 Ca 0.00 -1.48 0.05 0.00 0.05 0.00 0.00 55.36 53.98 1bw3 s GLN 2 Cb 0.00 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 1bw3 s GLN 2 CO 0.00 -0.70 -0.13 0.00 -0.55 0.00 0.00 175.29 173.91 1bw3 s ALA 3 N 1.09 1.12 0.37 1.58 0.00 -0.30 -5.02 121.76 120.60 1bw3 s ALA 3 Ca -0.03 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1bw3 s ALA 3 Cb -0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1bw3 s ALA 3 CO -0.05 0.14 0.12 0.54 0.00 0.00 0.00 175.76 176.51 1bw3 s ASN 4 N -1.78 2.39 -1.38 0.00 4.22 -1.26 -0.60 114.94 116.53 1bw3 s ASN 4 Ca -0.02 -1.59 -0.12 0.00 -2.14 0.00 0.00 52.86 48.99 1bw3 s ASN 4 Cb -0.10 0.36 0.01 0.00 1.28 0.00 0.00 41.25 42.81 1bw3 s ASN 4 CO 0.02 -0.86 0.37 0.47 -2.04 0.00 0.00 177.10 175.06 1bw3 n ASP 5 N -1.09 -1.42 -4.62 3.54 8.00 -1.13 -4.91 116.55 114.92 1bw3 n ASP 5 Ca -0.03 -1.19 -0.25 0.00 0.71 0.00 0.00 54.79 54.02 1bw3 n ASP 5 Cb 0.65 -2.16 -0.08 0.00 -0.02 0.00 0.00 41.12 39.51 1bw3 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bw3 s VAL 6 N -3.95 3.38 -0.48 2.53 1.01 0.06 -4.87 120.40 118.08 1bw3 s VAL 6 Ca 0.19 -1.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.14 1bw3 s VAL 6 Cb -0.09 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1bw3 s VAL 6 CO 0.95 -0.23 1.15 0.00 0.00 0.00 0.00 175.10 176.97 1bw3 s ARG 7 N -3.21 3.71 -0.15 2.72 1.70 -1.26 -1.17 118.95 121.29 1bw3 s ARG 7 Ca 0.28 0.56 -0.00 0.00 -0.47 0.00 0.00 55.73 56.10 1bw3 s ARG 7 Cb -0.08 -3.92 -0.01 0.00 -0.57 0.00 0.00 34.95 30.38 1bw3 s ARG 7 CO 0.18 -1.40 -0.13 0.00 -1.08 0.00 0.00 175.30 172.86 1bw3 s ALA 8 N 4.50 2.58 0.07 7.88 0.00 0.39 -4.96 121.76 132.22 1bw3 s ALA 8 Ca 0.48 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.50 1bw3 s ALA 8 Cb -0.07 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1bw3 s ALA 8 CO 0.32 0.08 -0.12 0.95 0.00 0.00 0.00 175.76 176.99 1bw3 s THR 9 N 0.64 0.94 0.30 0.00 -4.23 -1.26 -0.76 115.64 111.27 1bw3 s THR 9 Ca -0.07 -1.36 0.08 0.00 -1.18 0.00 0.00 61.69 59.16 1bw3 s THR 9 Cb -0.16 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 1bw3 s THR 9 CO 0.03 -0.36 0.18 -0.72 -0.54 0.00 0.00 174.62 173.20 1bw3 s TYR 10 N -1.65 2.88 0.12 3.99 1.13 -1.25 -3.46 117.35 119.10 1bw3 s TYR 10 Ca -0.01 -0.26 0.02 0.00 -1.41 0.00 0.00 57.07 55.40 1bw3 s TYR 10 Cb -0.08 -1.55 -0.01 0.00 -1.10 0.00 0.00 41.96 39.23 1bw3 s TYR 10 CO 0.01 0.39 0.05 1.58 -2.51 0.00 0.00 175.55 175.08 1bw3 n HIS 11 N -1.18 -0.02 -3.88 -3.49 -0.00 -1.26 -4.94 115.22 100.44 1bw3 n HIS 11 Ca -0.05 -0.83 -0.09 0.00 0.46 0.00 0.00 57.72 57.21 1bw3 n HIS 11 Cb 0.59 0.02 -0.07 0.00 -0.12 0.00 0.00 29.99 30.41 1bw3 n HIS 11 CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 1bw3 s TYR 12 N -2.10 0.22 0.00 1.57 -0.85 -1.26 -4.52 117.35 110.41 1bw3 s TYR 12 Ca 0.08 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 1bw3 s TYR 12 Cb 0.00 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.34 1bw3 s TYR 12 CO 0.05 -0.66 0.00 0.66 -1.52 0.00 0.00 175.55 174.09 1bw3 n TYR 13 N -0.16 0.00 -1.41 -3.49 4.02 -1.26 -4.90 117.16 109.95 1bw3 n TYR 13 Ca -0.11 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.82 1bw3 n TYR 13 Cb 0.63 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.00 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1bw3 n ARG 14 N 0.00 0.71 0.00 -0.72 3.00 -1.26 -4.85 116.66 113.54 1bw3 n ARG 14 Ca 0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 57.85 56.23 1bw3 n ARG 14 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 32.46 31.54 1bw3 n ARG 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1bw3 n PRO 15 N -0.60 0.00 -0.24 5.56 -0.04 -1.26 -0.96 135.00 137.47 1bw3 n PRO 15 Ca 0.06 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1bw3 n PRO 15 Cb 0.63 -0.94 0.05 0.00 -0.04 0.00 0.00 33.50 33.20 1bw3 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 h ALA 16 N -2.00 0.22 -0.93 0.55 0.00 -1.88 1.00 119.26 116.23 1bw3 h ALA 16 Ca 0.00 0.23 0.26 0.00 0.00 0.00 0.00 54.91 55.40 1bw3 h ALA 16 Cb 0.00 0.69 -0.16 0.00 0.00 0.00 0.00 17.79 18.31 1bw3 h ALA 16 CO 0.00 -0.55 0.14 1.96 0.00 0.00 0.00 179.25 180.80 1bw3 h GLN 17 N -0.08 0.08 -1.59 0.00 4.20 -1.89 0.10 115.11 115.95 1bw3 h GLN 17 Ca 0.30 -0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.33 1bw3 h GLN 17 Cb 0.55 -0.02 -0.35 0.00 0.30 0.00 0.00 27.48 27.96 1bw3 h GLN 17 CO -0.73 0.05 0.16 -1.71 -0.67 0.00 0.00 178.83 175.93 1bw3 n ASN 18 N -5.37 6.19 -3.62 1.46 2.85 0.18 -4.92 115.26 112.03 1bw3 n ASN 18 Ca 0.23 -3.78 -0.26 0.00 -0.11 0.00 0.00 54.58 50.65 1bw3 n ASN 18 Cb 0.74 -0.75 0.04 0.00 1.24 0.00 0.00 39.78 41.06 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bw3 n ASN 19 N -0.57 -5.51 -1.57 1.20 5.15 0.36 -3.15 115.26 111.17 1bw3 n ASN 19 Ca 0.48 -0.59 -0.05 0.00 -0.60 0.00 0.00 54.58 53.82 1bw3 n ASN 19 Cb 0.51 -4.39 0.02 0.00 -0.53 0.00 0.00 39.78 35.40 1bw3 n ASN 19 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1bw3 n TRP 20 N -4.72 -0.68 -1.37 1.20 7.02 0.29 -4.84 117.44 114.34 1bw3 n TRP 20 Ca 0.00 0.27 -0.25 0.00 -1.02 0.00 0.00 57.50 56.51 1bw3 n TRP 20 Cb 0.55 -2.61 -0.04 0.00 -2.42 0.00 0.00 31.31 26.79 1bw3 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw3 n ASP 21 N -0.97 6.47 0.06 -0.99 -0.08 -0.41 -4.52 116.55 116.12 1bw3 n ASP 21 Ca -0.05 -3.18 0.06 0.00 -1.51 0.00 0.00 54.79 50.11 1bw3 n ASP 21 Cb 0.54 -1.20 0.29 0.00 2.34 0.00 0.00 41.12 43.09 1bw3 n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bw3 n LEU 22 N 0.78 0.25 -1.50 -2.67 4.32 -1.26 -1.07 117.00 115.85 1bw3 n LEU 22 Ca 0.45 0.60 0.08 0.00 -0.02 0.00 0.00 56.01 57.12 1bw3 n LEU 22 Cb 0.57 -0.61 0.35 0.00 -1.62 0.00 0.00 43.42 42.11 1bw3 n LEU 22 CO 0.34 -0.59 0.81 0.61 -1.22 0.00 0.00 177.39 177.34 1bw3 n GLY 23 N -0.97 3.36 3.54 -0.72 0.00 -1.26 -4.20 105.19 104.94 1bw3 n GLY 23 Ca 0.01 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.63 1bw3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 n ALA 24 N 0.25 -0.85 -0.19 4.61 0.00 -0.23 -4.20 120.51 119.90 1bw3 n ALA 24 Ca 0.25 0.34 0.08 0.00 0.00 0.00 0.00 53.44 54.12 1bw3 n ALA 24 Cb 1.06 -1.91 0.16 0.00 0.00 0.00 0.00 19.45 18.75 1bw3 n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bw3 n PRO 25 N 0.69 -0.04 -0.54 0.00 -0.01 -1.26 0.74 135.00 134.57 1bw3 n PRO 25 Ca 0.11 0.81 -0.07 0.00 -0.01 0.00 0.00 63.50 64.34 1bw3 n PRO 25 Cb 0.33 -1.29 0.12 0.00 -0.01 0.00 0.00 33.50 32.65 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bw3 n ALA 26 N -3.40 3.75 0.09 3.55 0.00 -1.26 -4.48 120.51 118.76 1bw3 n ALA 26 Ca 0.13 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1bw3 n ALA 26 Cb 0.41 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1bw3 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw3 n VAL 27 N -0.11 0.60 -3.31 0.00 0.31 0.23 -5.08 118.33 110.97 1bw3 n VAL 27 Ca 0.24 0.20 -0.15 0.00 -0.01 0.00 0.00 64.34 64.62 1bw3 n VAL 27 Cb 0.96 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 1bw3 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw3 n SER 28 N -3.44 -2.49 -4.91 4.52 3.41 -1.21 -4.96 113.62 104.53 1bw3 n SER 28 Ca 0.00 -0.55 -0.27 0.00 -0.26 0.00 0.00 58.87 57.78 1bw3 n SER 28 Cb 0.00 -0.85 0.06 0.00 -0.26 0.00 0.00 64.21 63.16 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 s ALA 29 N -2.78 3.08 0.07 7.33 0.00 -1.26 -4.96 121.76 123.24 1bw3 s ALA 29 Ca 0.04 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1bw3 s ALA 29 Cb -0.02 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1bw3 s ALA 29 CO 0.49 -1.21 0.62 0.66 0.00 0.00 0.00 175.76 176.32 1bw3 n TYR 30 N -2.91 -0.13 0.05 0.00 4.01 -1.26 -1.90 117.16 115.02 1bw3 n TYR 30 Ca 0.07 0.50 0.08 0.00 -0.16 0.00 0.00 57.90 58.39 1bw3 n TYR 30 Cb 0.59 -0.56 -0.12 0.00 -0.31 0.00 0.00 39.34 38.94 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw3 n ALA 32 N -1.99 0.89 0.10 0.00 0.00 -0.80 0.71 120.51 119.42 1bw3 n ALA 32 Ca -0.02 0.31 -0.23 0.00 0.00 0.00 0.00 53.44 53.49 1bw3 n ALA 32 Cb 0.39 -0.53 -0.15 0.00 0.00 0.00 0.00 19.45 19.16 1bw3 n ALA 32 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bw3 h THR 33 N 0.00 1.32 0.00 0.00 2.02 -1.81 -3.28 112.91 111.15 1bw3 h THR 33 Ca 0.44 -2.60 -0.35 0.00 0.77 0.00 0.00 66.41 64.66 1bw3 h THR 33 Cb 2.70 3.06 -0.07 0.00 -1.74 0.00 0.00 68.15 72.11 1bw3 h THR 33 CO -0.00 0.77 -2.32 0.79 0.37 0.00 0.00 175.52 175.13 1bw3 n TRP 34 N -3.87 0.09 -0.04 3.16 8.01 0.22 -4.53 117.44 120.48 1bw3 n TRP 34 Ca -0.17 0.03 -0.16 0.00 -1.31 0.00 0.00 57.50 55.89 1bw3 n TRP 34 Cb 0.99 -1.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.15 1bw3 n TRP 34 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1bw3 h ASP 35 N 0.00 0.11 -0.02 -0.99 5.19 -0.60 -3.31 116.42 116.81 1bw3 h ASP 35 Ca -0.51 -0.98 0.01 0.00 -0.62 0.00 0.00 57.03 54.92 1bw3 h ASP 35 Cb 2.20 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 41.67 1bw3 h ASP 35 CO 0.03 1.10 0.52 0.00 -3.12 0.00 0.00 179.24 177.78 1bw3 h ALA 36 N 0.01 1.54 -0.00 3.45 0.00 -1.71 0.31 119.26 122.86 1bw3 h ALA 36 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bw3 h ALA 36 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1bw3 h ALA 36 CO 0.03 -0.53 -0.31 -1.13 0.00 0.00 0.00 179.25 177.31 1bw3 n SER 37 N -2.81 0.40 -4.84 0.00 3.41 -1.24 -4.92 113.62 103.61 1bw3 n SER 37 Ca -0.01 -0.12 -0.31 0.00 -0.26 0.00 0.00 58.87 58.17 1bw3 n SER 37 Cb 0.56 0.01 0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1bw3 n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bw3 s LYS 38 N -2.91 3.28 0.59 4.33 3.01 0.11 -5.01 119.74 123.13 1bw3 s LYS 38 Ca 0.14 0.86 -0.20 0.00 -1.01 0.00 0.00 55.97 55.76 1bw3 s LYS 38 Cb 0.18 -2.04 -0.04 0.00 -1.01 0.00 0.00 37.83 34.93 1bw3 s LYS 38 CO 0.62 -0.83 1.27 -0.35 0.51 0.00 0.00 175.35 176.57 1bw3 n PRO 39 N -2.92 1.36 -0.33 -1.68 -0.04 -1.26 -4.77 135.00 125.36 1bw3 n PRO 39 Ca 0.07 0.51 0.06 0.00 -0.04 0.00 0.00 63.50 64.10 1bw3 n PRO 39 Cb 0.54 -2.48 0.15 0.00 -0.04 0.00 0.00 33.50 31.67 1bw3 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw3 h LEU 40 N 0.98 -0.78 0.00 1.53 -0.00 -1.97 -2.04 115.31 113.03 1bw3 h LEU 40 Ca -0.50 0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 1bw3 h LEU 40 Cb 1.33 0.55 0.00 0.00 -0.00 0.00 0.00 40.66 42.54 1bw3 h LEU 40 CO 0.55 -0.31 0.00 -0.24 -0.00 0.00 0.00 178.44 178.44 1bw3 n SER 41 N -5.57 0.00 -0.10 -0.43 2.88 -1.26 -0.47 113.62 108.68 1bw3 n SER 41 Ca 0.16 0.76 -0.06 0.00 -1.33 0.00 0.00 58.87 58.40 1bw3 n SER 41 Cb 0.51 -0.26 0.01 0.00 -0.75 0.00 0.00 64.21 63.72 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1bw3 h TRP 42 N 0.00 0.04 -0.21 0.66 7.01 -1.91 0.10 115.95 121.65 1bw3 h TRP 42 Ca 0.00 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.07 1bw3 h TRP 42 Cb 0.00 0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.02 1bw3 h TRP 42 CO -0.24 -0.02 -0.43 -0.09 -2.79 0.00 0.00 178.44 174.86 1bw3 h ARG 43 N 0.14 -0.44 0.00 2.65 2.43 -1.31 0.25 114.38 118.10 1bw3 h ARG 43 Ca 0.16 0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 1bw3 h ARG 43 Cb 0.20 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1bw3 h ARG 43 CO -0.24 -0.29 -0.76 0.66 -1.51 0.00 0.00 179.97 177.82 1bw3 h SER 44 N -0.45 0.00 0.62 -3.80 4.64 -0.66 -3.33 113.55 110.56 1bw3 h SER 44 Ca 0.09 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1bw3 h SER 44 Cb 0.62 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1bw3 h SER 44 CO -0.45 0.76 -0.30 0.50 -0.87 0.00 0.00 176.83 176.48 1bw3 h LYS 45 N 0.00 -0.80 -3.41 4.77 3.64 -0.04 -3.40 116.57 117.32 1bw3 h LYS 45 Ca -0.01 0.05 -0.66 0.00 -1.27 0.00 0.00 60.65 58.76 1bw3 h LYS 45 Cb 1.42 0.18 -0.39 0.00 -0.41 0.00 0.00 32.23 33.04 1bw3 h LYS 45 CO 0.10 -0.54 -0.48 0.71 -2.27 0.00 0.00 179.45 176.97 1bw3 s TYR 46 N -4.55 3.36 -0.25 1.91 1.51 0.81 -5.07 117.35 115.06 1bw3 s TYR 46 Ca -0.12 -3.02 -0.13 0.00 -1.01 0.00 0.00 57.07 52.78 1bw3 s TYR 46 Cb 0.01 -2.98 0.08 0.00 -0.11 0.00 0.00 41.96 38.96 1bw3 s TYR 46 CO 0.36 -0.75 0.61 0.20 -1.11 0.00 0.00 175.55 174.86 1bw3 s GLY 47 N -0.07 -0.56 0.00 0.71 0.00 -1.25 -4.72 107.32 101.43 1bw3 s GLY 47 Ca 0.19 2.18 0.00 0.00 0.00 0.00 0.00 44.72 47.08 1bw3 s GLY 47 CO -0.04 2.30 0.00 0.79 0.00 0.00 0.00 173.10 176.15 1bw3 n TRP 48 N 4.46 0.00 -3.52 1.90 7.02 -1.24 -4.75 117.44 121.30 1bw3 n TRP 48 Ca -0.20 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.11 1bw3 n TRP 48 Cb 0.57 -0.32 -0.06 0.00 -2.42 0.00 0.00 31.31 29.08 1bw3 n TRP 48 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1bw3 s THR 49 N 0.00 0.00 -0.06 -0.99 -1.32 -1.24 -4.37 115.64 107.66 1bw3 s THR 49 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1bw3 s THR 49 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1bw3 s THR 49 CO 0.00 0.00 -0.16 0.00 -2.21 0.00 0.00 174.62 172.25 1bw3 s ALA 50 N -1.17 1.49 -0.04 11.08 0.00 -1.25 -1.28 121.76 130.59 1bw3 s ALA 50 Ca -0.11 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1bw3 s ALA 50 Cb -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1bw3 s ALA 50 CO 0.10 0.21 -0.08 0.12 0.00 0.00 0.00 175.76 176.11 1bw3 s PHE 51 N 0.35 0.95 -0.37 0.00 5.36 0.07 -4.58 117.98 119.76 1bw3 s PHE 51 Ca -0.11 -0.27 0.11 0.00 -0.96 0.00 0.00 56.93 55.71 1bw3 s PHE 51 Cb -0.14 -0.73 0.40 0.00 -0.34 0.00 0.00 43.02 42.21 1bw3 s PHE 51 CO 0.04 -0.16 1.46 0.00 -1.46 0.00 0.00 175.22 175.10 1bw3 s GLY 53 N -1.19 2.29 0.07 0.00 0.00 -1.26 -4.96 107.32 102.27 1bw3 s GLY 53 Ca 0.15 -2.08 -0.26 0.00 0.00 0.00 0.00 44.72 42.54 1bw3 s GLY 53 CO -0.11 -1.89 1.63 -0.56 0.00 0.00 0.00 173.10 172.17 1bw3 h PRO 54 N 1.43 -0.22 -1.97 2.90 0.13 -2.06 -3.08 132.00 129.13 1bw3 h PRO 54 Ca -0.43 0.01 -0.43 0.00 -0.87 0.00 0.00 66.00 64.28 1bw3 h PRO 54 Cb 1.25 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.28 1bw3 h PRO 54 CO 0.69 -0.09 0.26 0.00 -0.23 0.00 0.00 178.00 178.63 1bw3 n ALA 55 N -2.23 6.35 -3.14 -0.56 0.00 -1.26 -4.61 120.51 115.06 1bw3 n ALA 55 Ca -0.09 -2.75 -0.20 0.00 0.00 0.00 0.00 53.44 50.41 1bw3 n ALA 55 Cb 0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 1bw3 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw3 n GLY 56 N 1.12 2.84 3.54 0.00 0.00 -1.16 0.36 105.19 111.88 1bw3 n GLY 56 Ca 0.46 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 1bw3 n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw3 n PRO 57 N 0.96 0.79 -3.28 1.61 -0.04 -1.26 -4.82 135.00 128.95 1bw3 n PRO 57 Ca 0.21 -0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 1bw3 n PRO 57 Cb 0.59 -2.98 -0.04 0.00 -0.04 0.00 0.00 33.50 31.02 1bw3 n PRO 57 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1bw3 n ARG 58 N 8.88 0.25 0.00 0.54 0.00 -1.26 -5.02 116.66 120.05 1bw3 n ARG 58 Ca 0.44 -1.93 0.00 0.00 -0.00 0.00 0.00 57.85 56.36 1bw3 n ARG 58 Cb 0.42 1.60 0.00 0.00 0.00 0.00 0.00 32.46 34.49 1bw3 n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bw3 n GLY 59 N -0.37 0.74 0.06 5.14 0.00 -1.26 -4.93 105.19 104.57 1bw3 n GLY 59 Ca 0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 1bw3 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw3 n GLN 60 N 0.00 -0.06 -1.90 1.61 6.02 -1.26 -2.05 117.38 119.74 1bw3 n GLN 60 Ca 0.00 1.00 -0.39 0.00 -0.01 0.00 0.00 57.00 57.60 1bw3 n GLN 60 Cb 0.00 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.76 1bw3 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw3 n ALA 61 N -2.98 6.87 -0.06 -1.58 0.00 -1.26 -4.23 120.51 117.26 1bw3 n ALA 61 Ca 0.00 -3.97 -0.11 0.00 0.00 0.00 0.00 53.44 49.37 1bw3 n ALA 61 Cb 0.04 -2.79 -0.05 0.00 0.00 0.00 0.00 19.45 16.64 1bw3 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n ALA 62 N 1.85 1.92 -1.41 0.00 0.00 -0.87 -4.50 120.51 117.49 1bw3 n ALA 62 Ca 0.63 -0.52 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 1bw3 n ALA 62 Cb 0.26 0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1bw3 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw3 n GLY 64 N 3.75 0.13 3.75 0.00 0.00 -1.26 -5.11 105.19 106.45 1bw3 n GLY 64 Ca 0.70 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.49 1bw3 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw3 s LYS 65 N 0.00 2.40 0.31 1.61 1.02 -0.65 -4.87 119.74 119.57 1bw3 s LYS 65 Ca 0.00 -1.54 0.05 0.00 0.02 0.00 0.00 55.97 54.50 1bw3 s LYS 65 Cb 0.00 -2.20 -0.06 0.00 -0.52 0.00 0.00 37.83 35.05 1bw3 s LYS 65 CO 0.00 0.08 0.00 0.00 -0.92 0.00 0.00 175.35 174.51 1bw3 s LEU 67 N -3.48 1.94 -0.13 0.00 0.20 0.67 -0.13 118.68 117.75 1bw3 s LEU 67 Ca 0.33 -0.26 -0.06 0.00 0.69 0.00 0.00 54.13 54.83 1bw3 s LEU 67 Cb 0.07 -0.74 -0.04 0.00 -0.43 0.00 0.00 46.19 45.05 1bw3 s LEU 67 CO 0.14 0.14 0.08 -0.60 -0.29 0.00 0.00 176.35 175.82 1bw3 s ARG 68 N -0.11 3.49 -0.04 1.98 3.52 0.85 0.02 118.95 128.66 1bw3 s ARG 68 Ca 0.01 -0.28 0.04 0.00 -0.13 0.00 0.00 55.73 55.37 1bw3 s ARG 68 Cb -0.08 -3.09 -0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1bw3 s ARG 68 CO 0.00 0.60 -0.14 0.08 -0.81 0.00 0.00 175.30 175.03 1bw3 s VAL 69 N -0.54 1.18 0.04 7.11 1.01 -0.37 -1.11 120.40 127.73 1bw3 s VAL 69 Ca 0.11 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1bw3 s VAL 69 Cb -0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1bw3 s VAL 69 CO 0.02 0.35 -0.15 -0.89 0.00 0.00 0.00 175.10 174.43 1bw3 s THR 70 N 0.12 1.19 -0.51 3.92 2.01 -0.80 -0.60 115.64 120.98 1bw3 s THR 70 Ca -0.04 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 60.95 1bw3 s THR 70 Cb -0.11 -1.07 0.13 0.00 0.01 0.00 0.00 72.50 71.46 1bw3 s THR 70 CO 0.02 0.03 0.26 0.21 -0.69 0.00 0.00 174.62 174.44 1bw3 s ASN 71 N -1.16 4.56 0.32 3.53 2.47 0.71 -1.62 114.94 123.75 1bw3 s ASN 71 Ca 0.02 -2.84 0.07 0.00 0.42 0.00 0.00 52.86 50.54 1bw3 s ASN 71 Cb -0.08 -1.68 0.90 0.00 -1.45 0.00 0.00 41.25 38.94 1bw3 s ASN 71 CO 0.01 -0.28 1.62 1.55 -3.72 0.00 0.00 177.10 176.28 1bw3 h PRO 72 N 6.79 0.14 -0.92 0.43 0.13 -1.86 0.80 132.00 137.51 1bw3 h PRO 72 Ca -0.06 -0.01 0.24 0.00 -0.87 0.00 0.00 66.00 65.30 1bw3 h PRO 72 Cb 0.92 -0.03 -0.16 0.00 0.13 0.00 0.00 31.00 31.86 1bw3 h PRO 72 CO 0.67 0.09 0.06 0.00 -0.23 0.00 0.00 178.00 178.59 1bw3 h ALA 73 N 1.88 1.10 0.00 -0.56 0.00 -1.95 -3.03 119.26 116.71 1bw3 h ALA 73 Ca 0.65 0.30 -0.24 0.00 0.00 0.00 0.00 54.91 55.62 1bw3 h ALA 73 Cb 1.44 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 1bw3 h ALA 73 CO -0.73 -0.52 -1.89 0.25 0.00 0.00 0.00 179.25 176.36 1bw3 n THR 74 N -5.41 0.89 0.00 0.00 -2.24 -0.29 -5.00 114.28 102.24 1bw3 n THR 74 Ca 0.21 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1bw3 n THR 74 Cb 0.68 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1bw3 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw3 n GLY 75 N 2.43 0.46 3.83 3.38 0.00 0.12 -5.08 105.19 110.33 1bw3 n GLY 75 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1bw3 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 76 N -2.00 2.82 0.16 4.61 0.00 -1.25 -4.75 121.76 121.35 1bw3 s ALA 76 Ca 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.89 1bw3 s ALA 76 Cb 0.00 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1bw3 s ALA 76 CO 0.00 -0.98 0.39 1.14 0.00 0.00 0.00 175.76 176.30 1bw3 s GLN 77 N -4.94 1.18 0.32 0.00 1.03 -1.26 -0.21 119.66 115.78 1bw3 s GLN 77 Ca 0.58 -0.92 -0.11 0.00 0.04 0.00 0.00 55.36 54.95 1bw3 s GLN 77 Cb -0.13 0.45 0.01 0.00 0.03 0.00 0.00 33.01 33.37 1bw3 s GLN 77 CO 0.52 -0.46 0.57 -1.50 -2.54 0.00 0.00 175.29 171.88 1bw3 s ILE 78 N -3.88 0.00 -0.12 3.63 1.10 0.23 -4.92 121.20 117.25 1bw3 s ILE 78 Ca 0.09 -1.34 0.02 0.00 -0.51 0.00 0.00 60.65 58.91 1bw3 s ILE 78 Cb 0.02 -2.50 -0.00 0.00 0.15 0.00 0.00 42.46 40.12 1bw3 s ILE 78 CO -0.05 0.00 -0.19 -0.89 -2.11 0.00 0.00 174.94 171.69 1bw3 s THR 79 N -3.26 2.43 0.11 4.00 2.01 -1.26 -1.23 115.64 118.43 1bw3 s THR 79 Ca 0.23 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1bw3 s THR 79 Cb -0.02 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1bw3 s THR 79 CO 0.13 0.54 -0.07 0.00 -0.69 0.00 0.00 174.62 174.54 1bw3 s ALA 80 N 0.45 3.07 -0.55 7.40 0.00 0.10 -4.86 121.76 127.37 1bw3 s ALA 80 Ca -0.14 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.43 1bw3 s ALA 80 Cb -0.17 -0.98 0.12 0.00 0.00 0.00 0.00 23.12 22.09 1bw3 s ALA 80 CO 0.06 0.64 0.54 1.03 0.00 0.00 0.00 175.76 178.03 1bw3 s ARG 81 N -2.31 3.00 -0.81 0.00 3.00 -1.26 -0.24 118.95 120.33 1bw3 s ARG 81 Ca 0.23 -1.58 -0.25 0.00 0.00 0.00 0.00 55.73 54.13 1bw3 s ARG 81 Cb -0.11 -4.28 -0.18 0.00 0.00 0.00 0.00 34.95 30.38 1bw3 s ARG 81 CO 0.15 -1.35 2.19 -0.89 0.00 0.00 0.00 175.30 175.41 1bw3 n ILE 82 N 5.32 0.00 0.00 1.52 5.41 -1.02 -3.62 119.36 126.97 1bw3 n ILE 82 Ca -0.13 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1bw3 n ILE 82 Cb 0.41 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 1bw3 n ILE 82 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1bw3 n VAL 83 N 6.09 0.00 -3.14 1.39 0.31 -0.80 -3.87 118.33 118.31 1bw3 n VAL 83 Ca 0.54 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.67 1bw3 n VAL 83 Cb 0.03 -1.00 0.04 0.00 -0.91 0.00 0.00 33.84 31.99 1bw3 n VAL 83 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bw3 s ASP 84 N -4.59 5.17 0.00 4.52 2.15 -0.41 -4.12 116.67 119.39 1bw3 s ASP 84 Ca 0.00 -0.80 0.00 0.00 0.43 0.00 0.00 52.55 52.18 1bw3 s ASP 84 Cb 0.00 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.70 1bw3 s ASP 84 CO 0.00 -1.17 0.00 1.67 -0.17 0.00 0.00 175.17 175.50 1bw3 n GLN 85 N -2.09 0.75 -2.84 4.34 7.27 -1.26 -0.75 117.38 122.80 1bw3 n GLN 85 Ca 0.12 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.76 1bw3 n GLN 85 Cb 0.61 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.25 1bw3 n GLN 85 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bw3 n ALA 87 N 6.87 3.00 -0.12 0.00 0.00 -1.26 -5.00 120.51 124.00 1bw3 n ALA 87 Ca 0.31 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.49 1bw3 n ALA 87 Cb 0.48 0.09 -0.11 0.00 0.00 0.00 0.00 19.45 19.90 1bw3 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw3 n ASN 88 N -3.04 1.94 0.00 0.00 0.23 -1.26 -5.05 115.26 108.08 1bw3 n ASN 88 Ca 0.00 0.31 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 1bw3 n ASN 88 Cb 0.00 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 36.88 1bw3 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 89 N 1.45 1.82 0.52 4.83 0.00 -1.26 -5.10 105.19 107.44 1bw3 n GLY 89 Ca -0.46 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 1bw3 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw3 n GLY 90 N 0.00 4.05 2.53 -0.02 0.00 -1.25 -4.59 105.19 105.91 1bw3 n GLY 90 Ca 0.00 -2.23 -0.28 0.00 0.00 0.00 0.00 46.02 43.51 1bw3 n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bw3 n LEU 91 N 0.00 4.91 0.00 0.99 4.32 -1.23 -4.31 117.00 121.69 1bw3 n LEU 91 Ca -0.03 -5.21 0.00 0.00 -0.02 0.00 0.00 56.01 50.75 1bw3 n LEU 91 Cb 0.09 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 1bw3 n LEU 91 CO 0.05 2.21 0.00 -0.90 -1.22 0.00 0.00 177.39 177.53 1bw3 n ASP 92 N -0.47 0.00 0.00 -1.43 5.68 -1.26 -3.79 116.55 115.28 1bw3 n ASP 92 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.69 1bw3 n ASP 92 Cb 0.62 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1bw3 n ASP 92 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1bw3 n LEU 93 N 0.00 0.00 -4.99 -2.12 4.32 -1.26 -4.70 117.00 108.26 1bw3 n LEU 93 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.74 1bw3 n LEU 93 Cb 0.00 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 41.93 1bw3 n LEU 93 CO 0.00 0.00 0.62 -0.62 -1.22 0.00 0.00 177.39 176.17 1bw3 s ASP 94 N -0.84 4.03 -0.20 -1.43 -1.08 -1.26 -4.00 116.67 111.89 1bw3 s ASP 94 Ca 0.00 -0.33 -0.03 0.00 -0.52 0.00 0.00 52.55 51.68 1bw3 s ASP 94 Cb 0.00 0.07 0.03 0.00 -1.46 0.00 0.00 42.92 41.55 1bw3 s ASP 94 CO 0.00 -2.09 0.06 1.87 0.52 0.00 0.00 175.17 175.53 1bw3 n TRP 95 N -3.03 -0.71 -3.57 -5.34 -0.00 -1.26 -3.31 117.44 100.22 1bw3 n TRP 95 Ca 0.16 0.07 0.00 0.00 -0.00 0.00 0.00 57.50 57.73 1bw3 n TRP 95 Cb 0.60 -0.49 0.00 0.00 -0.00 0.00 0.00 31.31 31.43 1bw3 n TRP 95 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1bw3 n ASP 96 N -0.57 0.00 -0.43 5.87 8.00 -1.26 -4.67 116.55 123.49 1bw3 n ASP 96 Ca 0.01 0.00 0.33 0.00 0.71 0.00 0.00 54.79 55.84 1bw3 n ASP 96 Cb 0.19 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.82 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bw3 n THR 97 N -0.90 -0.07 -0.01 -3.53 -2.24 -1.21 -0.84 114.28 105.48 1bw3 n THR 97 Ca 0.00 1.10 -0.01 0.00 -2.27 0.00 0.00 64.05 62.87 1bw3 n THR 97 Cb 0.00 -1.82 -0.00 0.00 -2.10 0.00 0.00 70.33 66.41 1bw3 n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bw3 h VAL 98 N 0.00 0.00 -0.79 2.28 2.07 -1.84 -3.40 116.25 114.56 1bw3 h VAL 98 Ca 0.63 -0.18 0.14 0.00 0.82 0.00 0.00 66.70 68.11 1bw3 h VAL 98 Cb 2.34 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.97 1bw3 h VAL 98 CO -0.13 0.00 -0.32 0.15 0.02 0.00 0.00 177.57 177.30 1bw3 h PHE 99 N -0.18 -0.84 -0.83 1.57 3.57 -1.34 -2.29 116.94 116.59 1bw3 h PHE 99 Ca 0.00 0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.69 1bw3 h PHE 99 Cb 0.09 0.49 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 1bw3 h PHE 99 CO -0.04 -0.38 0.54 1.79 -2.23 0.00 0.00 178.31 177.99 1bw3 h THR 100 N -0.06 0.93 0.05 4.41 1.35 -1.33 -3.03 112.91 115.22 1bw3 h THR 100 Ca 0.32 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1bw3 h THR 100 Cb 0.58 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 1bw3 h THR 100 CO -0.83 0.14 -0.02 0.11 -0.25 0.00 0.00 175.52 174.66 1bw3 h LYS 101 N 0.76 -0.06 -0.05 4.72 1.79 -1.61 -3.27 116.57 118.85 1bw3 h LYS 101 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1bw3 h LYS 101 Cb 0.48 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1bw3 h LYS 101 CO -0.16 0.39 0.00 0.44 -1.08 0.00 0.00 179.45 179.05 1bw3 n ILE 102 N -4.90 0.00 -3.85 1.86 -5.35 -1.15 -4.51 119.36 101.47 1bw3 n ILE 102 Ca -0.08 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.08 1bw3 n ILE 102 Cb 0.25 -0.14 -0.11 0.00 -1.74 0.00 0.00 39.64 37.89 1bw3 n ILE 102 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1bw3 s ASP 103 N -1.17 4.90 0.13 7.28 -1.08 -1.20 -4.78 116.67 120.75 1bw3 s ASP 103 Ca 0.00 -3.39 0.04 0.00 -0.52 0.00 0.00 52.55 48.68 1bw3 s ASP 103 Cb 0.00 -1.72 0.19 0.00 -1.46 0.00 0.00 42.92 39.93 1bw3 s ASP 103 CO 0.00 -0.20 0.87 0.35 0.52 0.00 0.00 175.17 176.71 1bw3 n THR 104 N 2.66 0.65 0.22 1.71 -2.24 -1.26 -4.30 114.28 111.72 1bw3 n THR 104 Ca 0.13 0.60 0.00 0.00 -2.27 0.00 0.00 64.05 62.51 1bw3 n THR 104 Cb 0.35 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 1bw3 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw3 n ASN 105 N -1.50 -3.28 0.00 3.42 0.23 -1.26 -5.09 115.26 107.79 1bw3 n ASN 105 Ca -0.00 0.82 0.00 0.00 -0.53 0.00 0.00 54.58 54.87 1bw3 n ASN 105 Cb 0.36 3.10 0.00 0.00 -2.08 0.00 0.00 39.78 41.16 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw3 n GLY 106 N -0.71 0.00 0.00 4.83 0.00 -1.26 -5.02 105.19 103.03 1bw3 n GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bw3 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw3 n ILE 107 N 0.00 0.00 0.05 -0.61 2.08 -1.26 -3.90 119.36 115.72 1bw3 n ILE 107 Ca 0.00 1.36 0.00 0.00 0.56 0.00 0.00 62.75 64.67 1bw3 n ILE 107 Cb 0.00 -2.30 -0.06 0.00 -0.75 0.00 0.00 39.64 36.53 1bw3 n ILE 107 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1bw3 h GLY 108 N 0.00 0.00 -1.13 7.39 0.00 -1.98 -3.37 103.07 103.98 1bw3 h GLY 108 Ca 0.00 0.00 0.42 0.00 0.00 0.00 0.00 47.33 47.75 1bw3 h GLY 108 CO 0.00 0.00 0.69 2.98 0.00 0.00 0.00 176.54 180.21 1bw3 n TYR 109 N -2.98 0.82 1.02 5.60 9.36 -1.25 0.07 117.16 129.81 1bw3 n TYR 109 Ca -0.07 0.83 0.11 0.00 3.32 0.00 0.00 57.90 62.10 1bw3 n TYR 109 Cb 0.83 -1.25 0.15 0.00 -0.63 0.00 0.00 39.34 38.43 1bw3 n TYR 109 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bw3 n GLN 110 N -4.77 0.12 -0.08 2.98 10.64 -1.25 -4.29 117.38 120.73 1bw3 n GLN 110 Ca 0.36 -0.08 -0.09 0.00 -1.83 0.00 0.00 57.00 55.36 1bw3 n GLN 110 Cb 1.35 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 29.12 1bw3 n GLN 110 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1bw3 n GLN 111 N -1.36 1.19 0.00 2.61 -0.06 0.11 -5.02 117.38 114.85 1bw3 n GLN 111 Ca 0.06 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 1bw3 n GLN 111 Cb 0.34 -1.38 0.00 0.00 -4.06 0.00 0.00 30.24 25.14 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bw3 n GLY 112 N 2.25 1.42 3.38 1.69 0.00 0.65 -5.07 105.19 109.51 1bw3 n GLY 112 Ca -0.28 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 1bw3 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw3 s HIS 113 N -1.13 2.08 0.16 1.61 0.00 -1.25 -3.84 115.29 112.92 1bw3 s HIS 113 Ca 0.00 -0.41 -0.05 0.00 -3.00 0.00 0.00 55.06 51.61 1bw3 s HIS 113 Cb 0.00 -1.03 -0.03 0.00 -4.00 0.00 0.00 32.58 27.52 1bw3 s HIS 113 CO 0.00 0.43 0.18 -1.17 -1.00 0.00 0.00 174.74 173.18 1bw3 s LEU 114 N -2.67 1.28 -0.16 5.38 2.96 0.06 -4.37 118.68 121.16 1bw3 s LEU 114 Ca 0.18 -1.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.00 1bw3 s LEU 114 Cb -0.07 0.75 -0.01 0.00 0.50 0.00 0.00 46.19 47.36 1bw3 s LEU 114 CO 0.08 -0.83 -0.11 0.21 -1.32 0.00 0.00 176.35 174.38 1bw3 s ASN 115 N -3.03 4.07 0.33 3.68 3.84 -1.26 -0.46 114.94 122.11 1bw3 s ASN 115 Ca 0.23 -0.35 0.02 0.00 0.21 0.00 0.00 52.86 52.97 1bw3 s ASN 115 Cb 0.05 -1.64 -0.01 0.00 -0.55 0.00 0.00 41.25 39.09 1bw3 s ASN 115 CO 0.03 0.11 0.37 0.68 -2.79 0.00 0.00 177.10 175.50 1bw3 s VAL 116 N 0.69 0.00 0.04 -5.21 -7.23 -0.32 -4.57 120.40 103.80 1bw3 s VAL 116 Ca -0.05 -1.80 0.08 0.00 -1.81 0.00 0.00 61.98 58.40 1bw3 s VAL 116 Cb -0.15 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1bw3 s VAL 116 CO 0.02 0.00 -0.22 0.20 -0.31 0.00 0.00 175.10 174.79 1bw3 s ASN 117 N -3.30 3.52 -0.06 4.85 0.01 -0.64 -0.76 114.94 118.57 1bw3 s ASN 117 Ca 0.36 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 52.03 1bw3 s ASN 117 Cb 0.01 -0.48 0.02 0.00 0.41 0.00 0.00 41.25 41.21 1bw3 s ASN 117 CO 0.24 0.26 -0.05 -0.72 -1.51 0.00 0.00 177.10 175.32 1bw3 s TYR 118 N -0.86 0.87 -0.22 2.20 -0.85 0.23 -1.90 117.35 116.83 1bw3 s TYR 118 Ca 0.13 -0.28 0.02 0.00 -0.52 0.00 0.00 57.07 56.42 1bw3 s TYR 118 Cb -0.10 -0.78 0.05 0.00 0.38 0.00 0.00 41.96 41.51 1bw3 s TYR 118 CO 0.03 -0.25 -0.12 -0.65 -1.52 0.00 0.00 175.55 173.05 1bw3 s GLN 119 N 1.11 2.26 0.44 -3.49 1.11 -0.27 -1.15 119.66 119.67 1bw3 s GLN 119 Ca -0.08 -1.02 -0.25 0.00 0.01 0.00 0.00 55.36 54.02 1bw3 s GLN 119 Cb -0.14 -2.62 -0.09 0.00 -1.01 0.00 0.00 33.01 29.15 1bw3 s GLN 119 CO -0.01 -0.45 1.26 1.19 0.01 0.00 0.00 175.29 177.29 1bw3 n PHE 120 N 4.58 2.07 -3.96 0.91 3.01 0.50 -0.11 117.46 124.47 1bw3 n PHE 120 Ca -0.15 0.49 -0.12 0.00 1.01 0.00 0.00 57.45 58.67 1bw3 n PHE 120 Cb 0.45 -2.36 -0.02 0.00 -0.01 0.00 0.00 39.48 37.54 1bw3 n PHE 120 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1bw3 n VAL 121 N -0.34 0.00 -2.46 -4.37 0.31 0.82 -4.70 118.33 107.60 1bw3 n VAL 121 Ca 0.07 -1.49 -0.24 0.00 -0.01 0.00 0.00 64.34 62.67 1bw3 n VAL 121 Cb 0.40 0.97 0.08 0.00 -0.91 0.00 0.00 33.84 34.39 1bw3 n VAL 121 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1bw3 s ASP 122 N -2.94 4.66 -0.06 4.52 1.01 -1.26 -1.13 116.67 121.46 1bw3 s ASP 122 Ca 0.24 -0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.53 1bw3 s ASP 122 Cb -0.01 -0.57 -0.25 0.00 1.01 0.00 0.00 42.92 43.09 1bw3 s ASP 122 CO 0.17 -1.64 0.59 0.00 0.21 0.00 0.00 175.17 174.51 1bw3 n ARG 124 N -3.27 -0.84 0.00 0.00 0.63 -1.26 -5.09 116.66 106.83 1bw3 n ARG 124 Ca -0.22 0.08 0.14 0.00 -0.92 0.00 0.00 57.85 56.93 1bw3 n ARG 124 Cb 1.05 -3.33 0.53 0.00 0.45 0.00 0.00 32.46 31.16 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65