#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 3.52 -0.03 3.44 0.74 -1.26 -1.23 119.66 124.84 1bw3 s GLN 2 Ca 0.00 -0.60 -0.01 0.00 0.05 0.00 0.00 55.36 54.80 1bw3 s GLN 2 Cb 0.00 -2.82 0.02 0.00 1.10 0.00 0.00 33.01 31.30 1bw3 s GLN 2 CO 0.00 0.16 0.06 0.00 -0.55 0.00 0.00 175.29 174.95 1bw3 s ALA 3 N 0.54 -0.08 0.32 1.58 0.00 -0.86 -4.86 121.76 118.40 1bw3 s ALA 3 Ca -0.05 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.22 1bw3 s ALA 3 Cb -0.15 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1bw3 s ALA 3 CO 0.03 -0.07 0.03 0.54 0.00 0.00 0.00 175.76 176.29 1bw3 s ASN 4 N 0.52 2.52 -0.63 0.00 2.20 -1.26 -0.88 114.94 117.42 1bw3 s ASN 4 Ca -0.04 -1.34 -0.18 0.00 -0.94 0.00 0.00 52.86 50.37 1bw3 s ASN 4 Cb -0.06 -0.12 0.02 0.00 -2.00 0.00 0.00 41.25 39.10 1bw3 s ASN 4 CO -0.02 -0.55 0.33 0.47 -2.94 0.00 0.00 177.10 174.40 1bw3 n ASP 5 N -0.68 -1.97 -4.78 3.54 8.00 -1.12 -4.92 116.55 114.63 1bw3 n ASP 5 Ca -0.03 -0.67 -0.31 0.00 0.71 0.00 0.00 54.79 54.49 1bw3 n ASP 5 Cb 0.66 -0.80 -0.07 0.00 -0.02 0.00 0.00 41.12 40.89 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 -4.23 4.60 -0.75 2.53 1.01 -0.51 -4.92 120.40 118.13 1bw3 s VAL 6 Ca 0.24 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 1bw3 s VAL 6 Cb -0.14 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.11 1bw3 s VAL 6 CO 0.50 0.19 1.22 -0.13 0.00 0.00 0.00 175.10 176.87 1bw3 s ARG 7 N -2.20 3.21 -0.13 2.72 1.81 -1.26 -3.00 118.95 120.10 1bw3 s ARG 7 Ca 0.28 -0.49 -0.18 0.00 -1.72 0.00 0.00 55.73 53.62 1bw3 s ARG 7 Cb -0.12 -4.31 -0.04 0.00 -0.45 0.00 0.00 34.95 30.03 1bw3 s ARG 7 CO 0.20 -2.07 0.46 0.00 -0.68 0.00 0.00 175.30 173.21 1bw3 s ALA 8 N 5.20 3.50 0.31 2.13 0.00 -0.80 -4.77 121.76 127.33 1bw3 s ALA 8 Ca 0.33 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.10 1bw3 s ALA 8 Cb -0.09 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1bw3 s ALA 8 CO 0.11 -0.05 0.39 0.95 0.00 0.00 0.00 175.76 177.16 1bw3 s THR 9 N 0.76 4.20 -0.32 0.00 -4.23 -1.26 -1.03 115.64 113.75 1bw3 s THR 9 Ca 0.25 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 1bw3 s THR 9 Cb -0.15 -3.44 0.10 0.00 1.34 0.00 0.00 72.50 70.34 1bw3 s THR 9 CO 0.09 -0.20 0.05 -0.72 -0.54 0.00 0.00 174.62 173.30 1bw3 s TYR 10 N -2.16 3.05 0.38 3.99 1.13 -1.25 -3.71 117.35 118.78 1bw3 s TYR 10 Ca 0.41 -2.52 0.08 0.00 -1.41 0.00 0.00 57.07 53.63 1bw3 s TYR 10 Cb -0.09 -2.44 -0.04 0.00 -1.10 0.00 0.00 41.96 38.29 1bw3 s TYR 10 CO 0.29 -0.91 0.18 -3.38 -2.51 0.00 0.00 175.55 169.22 1bw3 s HIS 11 N 1.15 2.65 0.06 -3.49 -3.43 -1.26 -5.06 115.29 105.91 1bw3 s HIS 11 Ca 0.09 -0.49 0.03 0.00 -0.80 0.00 0.00 55.06 53.89 1bw3 s HIS 11 Cb -0.18 -1.83 -0.03 0.00 -1.43 0.00 0.00 32.58 29.10 1bw3 s HIS 11 CO -0.13 0.23 -0.09 1.52 -2.00 0.00 0.00 174.74 174.27 1bw3 s TYR 12 N -2.51 0.82 0.00 0.38 1.13 -1.26 -4.32 117.35 111.59 1bw3 s TYR 12 Ca 0.40 -0.59 0.00 0.00 -1.41 0.00 0.00 57.07 55.47 1bw3 s TYR 12 Cb 0.00 -0.47 0.00 0.00 -1.10 0.00 0.00 41.96 40.39 1bw3 s TYR 12 CO 0.23 -0.07 0.00 0.98 -2.51 0.00 0.00 175.55 174.18 1bw3 n TYR 13 N 1.05 0.00 -2.96 -3.49 9.36 -1.19 -5.08 117.16 114.84 1bw3 n TYR 13 Ca -0.20 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.74 1bw3 n TYR 13 Cb 0.56 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.23 1bw3 n TYR 13 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1bw3 n ARG 14 N 0.00 3.41 0.41 2.98 1.74 -1.26 -4.91 116.66 119.03 1bw3 n ARG 14 Ca 0.00 -4.82 -0.16 0.00 -0.77 0.00 0.00 57.85 52.10 1bw3 n ARG 14 Cb 0.00 -2.27 -0.08 0.00 -1.02 0.00 0.00 32.46 29.09 1bw3 n ARG 14 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1bw3 h PRO 15 N 3.27 -1.01 -0.00 5.56 0.13 -1.89 -1.29 132.00 136.77 1bw3 h PRO 15 Ca 0.18 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1bw3 h PRO 15 Cb 0.50 0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1bw3 h PRO 15 CO 0.87 -0.67 0.00 0.00 -0.23 0.00 0.00 178.00 177.96 1bw3 n ALA 16 N -2.53 1.55 -0.02 -0.56 0.00 -1.26 -1.01 120.51 116.68 1bw3 n ALA 16 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 1bw3 n ALA 16 Cb 0.41 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 1bw3 n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bw3 n GLN 17 N -0.45 0.12 -2.23 0.00 0.00 -1.02 -4.56 117.38 109.23 1bw3 n GLN 17 Ca 0.00 0.33 -0.40 0.00 -0.00 0.00 0.00 57.00 56.93 1bw3 n GLN 17 Cb 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 30.24 29.26 1bw3 n GLN 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1bw3 n ASN 18 N -2.90 7.44 -3.66 1.69 5.15 -1.24 -4.76 115.26 116.98 1bw3 n ASN 18 Ca -0.02 -3.72 -0.26 0.00 -0.60 0.00 0.00 54.58 49.98 1bw3 n ASN 18 Cb 0.07 -1.13 0.04 0.00 -0.53 0.00 0.00 39.78 38.22 1bw3 n ASN 18 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bw3 n ASN 19 N -0.18 -3.68 0.00 1.20 5.15 -1.26 -0.33 115.26 116.16 1bw3 n ASN 19 Ca 0.51 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 1bw3 n ASN 19 Cb 0.26 -3.77 0.00 0.00 -0.53 0.00 0.00 39.78 35.74 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 -4.11 0.00 -2.26 1.20 7.02 -0.18 -4.25 117.44 114.86 1bw3 n TRP 20 Ca -0.18 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.89 1bw3 n TRP 20 Cb 0.63 -1.87 0.00 0.00 -2.42 0.00 0.00 31.31 27.65 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 -0.76 5.91 0.00 -0.99 2.03 0.55 -4.05 116.55 119.25 1bw3 n ASP 21 Ca 0.00 -3.13 0.00 0.00 0.52 0.00 0.00 54.79 52.18 1bw3 n ASP 21 Cb 0.38 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1bw3 n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bw3 n LEU 22 N 3.21 0.00 -3.99 -2.67 4.32 -1.26 -0.30 117.00 116.30 1bw3 n LEU 22 Ca 0.45 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 56.13 1bw3 n LEU 22 Cb 0.33 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.06 1bw3 n LEU 22 CO 0.78 0.00 -0.22 0.61 -1.22 0.00 0.00 177.39 177.34 1bw3 n GLY 23 N 0.00 -0.25 3.72 -0.72 0.00 -0.52 -4.56 105.19 102.86 1bw3 n GLY 23 Ca 0.00 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1bw3 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw3 s ALA 24 N -3.29 3.43 0.00 4.61 0.00 0.59 -4.88 121.76 122.22 1bw3 s ALA 24 Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1bw3 s ALA 24 Cb -0.26 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1bw3 s ALA 24 CO 0.83 -0.08 0.00 -0.35 0.00 0.00 0.00 175.76 176.17 1bw3 n PRO 25 N 3.81 0.00 -1.29 0.00 -0.05 -1.26 -4.77 135.00 131.44 1bw3 n PRO 25 Ca -0.05 0.00 -0.23 0.00 -0.05 0.00 0.00 63.50 63.17 1bw3 n PRO 25 Cb 0.51 0.00 -0.03 0.00 -0.05 0.00 0.00 33.50 33.93 1bw3 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bw3 n ALA 26 N -3.00 6.06 -0.01 0.55 0.00 -1.26 -4.36 120.51 118.49 1bw3 n ALA 26 Ca 0.00 -2.60 -0.03 0.00 0.00 0.00 0.00 53.44 50.82 1bw3 n ALA 26 Cb 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 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 0.75 0.72 -2.78 0.00 0.31 -1.26 -5.04 118.33 111.04 1bw3 n VAL 27 Ca 0.43 0.27 -0.17 0.00 -0.01 0.00 0.00 64.34 64.86 1bw3 n VAL 27 Cb 0.58 -1.65 0.01 0.00 -0.91 0.00 0.00 33.84 31.86 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 -3.30 -2.71 -4.27 4.52 3.41 -1.26 -4.86 113.62 105.15 1bw3 n SER 28 Ca -0.04 -0.31 -0.34 0.00 -0.26 0.00 0.00 58.87 57.92 1bw3 n SER 28 Cb 0.15 -0.84 0.13 0.00 -0.26 0.00 0.00 64.21 63.38 1bw3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw3 n ALA 29 N -0.89 -3.91 -0.10 7.33 0.00 -1.26 -4.67 120.51 117.01 1bw3 n ALA 29 Ca -0.11 -1.01 -0.03 0.00 0.00 0.00 0.00 53.44 52.29 1bw3 n ALA 29 Cb 0.37 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 1bw3 n ALA 29 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bw3 n TYR 30 N -3.87 -0.10 1.08 0.00 4.01 -1.15 -0.43 117.16 116.70 1bw3 n TYR 30 Ca 0.02 0.29 0.12 0.00 -0.16 0.00 0.00 57.90 58.17 1bw3 n TYR 30 Cb 0.60 -0.42 0.15 0.00 -0.31 0.00 0.00 39.34 39.36 1bw3 n TYR 30 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw3 h ALA 32 N 4.42 0.61 -0.88 0.00 0.00 -1.00 0.73 119.26 123.14 1bw3 h ALA 32 Ca 0.00 0.34 0.21 0.00 0.00 0.00 0.00 54.91 55.46 1bw3 h ALA 32 Cb 0.85 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1bw3 h ALA 32 CO 0.00 -0.40 0.59 1.15 0.00 0.00 0.00 179.25 180.59 1bw3 h THR 33 N 0.00 0.65 -0.01 0.00 2.02 -1.78 0.51 112.91 114.30 1bw3 h THR 33 Ca 0.43 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.51 1bw3 h THR 33 Cb 0.67 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1bw3 h THR 33 CO -0.90 0.05 -0.15 0.79 0.37 0.00 0.00 175.52 175.68 1bw3 n TRP 34 N -4.45 0.00 -0.02 3.16 8.01 0.20 -4.70 117.44 119.64 1bw3 n TRP 34 Ca 0.18 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.34 1bw3 n TRP 34 Cb 0.75 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 30.04 1bw3 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw3 n ASP 35 N 0.32 1.98 -0.30 -0.99 8.00 0.16 -4.61 116.55 121.10 1bw3 n ASP 35 Ca 0.07 0.02 0.13 0.00 0.71 0.00 0.00 54.79 55.72 1bw3 n ASP 35 Cb 0.33 -0.10 0.30 0.00 -0.02 0.00 0.00 41.12 41.64 1bw3 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw3 h ALA 36 N -0.08 1.41 -0.08 2.24 0.00 -0.16 0.23 119.26 122.83 1bw3 h ALA 36 Ca -0.10 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bw3 h ALA 36 Cb 1.12 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1bw3 h ALA 36 CO -0.04 -0.36 0.00 -1.13 0.00 0.00 0.00 179.25 177.72 1bw3 n SER 37 N -5.06 0.53 -4.81 0.00 3.41 -1.26 -4.40 113.62 102.03 1bw3 n SER 37 Ca 0.22 -1.77 -0.32 0.00 -0.26 0.00 0.00 58.87 56.74 1bw3 n SER 37 Cb 0.65 -0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.90 2.98 0.28 4.33 1.02 0.81 -4.96 119.74 122.30 1bw3 s LYS 38 Ca 0.17 1.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.94 1bw3 s LYS 38 Cb 0.08 -1.99 -0.11 0.00 -0.52 0.00 0.00 37.83 35.29 1bw3 s LYS 38 CO 0.13 -1.08 1.58 -1.25 -0.92 0.00 0.00 175.35 173.81 1bw3 s PRO 39 N -4.68 4.14 0.23 -1.68 0.04 -1.26 -4.82 135.00 126.97 1bw3 s PRO 39 Ca 0.60 2.54 -0.09 0.00 0.04 0.00 0.00 61.00 64.10 1bw3 s PRO 39 Cb -0.15 -3.04 0.35 0.00 0.04 0.00 0.00 34.50 31.69 1bw3 s PRO 39 CO 0.49 -0.61 1.32 1.28 0.04 0.00 0.00 177.00 179.51 1bw3 n LEU 40 N 2.34 -0.36 -0.26 -3.56 4.77 -1.26 -1.35 117.00 117.32 1bw3 n LEU 40 Ca 0.09 1.46 -0.07 0.00 -0.03 0.00 0.00 56.01 57.45 1bw3 n LEU 40 Cb 0.38 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 1bw3 n LEU 40 CO 0.63 -1.38 0.42 -1.20 -1.33 0.00 0.00 177.39 174.54 1bw3 n SER 41 N -5.35 -0.66 -0.06 -1.43 7.64 -1.26 0.05 113.62 112.55 1bw3 n SER 41 Ca 0.12 1.36 -0.11 0.00 1.01 0.00 0.00 58.87 61.25 1bw3 n SER 41 Cb 0.40 -0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1bw3 n SER 41 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1bw3 h TRP 42 N 0.00 0.31 -0.21 1.43 7.01 -1.58 0.00 115.95 122.92 1bw3 h TRP 42 Ca 0.10 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1bw3 h TRP 42 Cb 0.25 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.16 1bw3 h TRP 42 CO -0.88 0.36 -0.52 0.00 -2.79 0.00 0.00 178.44 174.61 1bw3 h ARG 43 N 0.17 -0.49 -0.11 2.65 3.08 -0.78 0.97 114.38 119.89 1bw3 h ARG 43 Ca 0.07 0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 1bw3 h ARG 43 Cb 0.19 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1bw3 h ARG 43 CO -0.00 -0.32 -0.50 0.66 -1.07 0.00 0.00 179.97 178.74 1bw3 h SER 44 N -0.51 0.30 -0.13 7.04 4.64 -0.39 -3.32 113.55 121.19 1bw3 h SER 44 Ca 0.04 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1bw3 h SER 44 Cb 0.63 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1bw3 h SER 44 CO -0.46 0.75 0.02 0.50 -0.87 0.00 0.00 176.83 176.77 1bw3 h LYS 45 N 0.22 0.22 -6.12 4.77 3.11 -0.01 -3.45 116.57 115.31 1bw3 h LYS 45 Ca 0.01 -0.06 -0.51 0.00 -2.81 0.00 0.00 60.65 57.28 1bw3 h LYS 45 Cb 0.95 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.13 1bw3 h LYS 45 CO 0.08 0.41 -0.47 0.71 -2.81 0.00 0.00 179.45 177.38 1bw3 s TYR 46 N -5.15 3.42 0.38 1.91 1.51 0.25 -5.00 117.35 114.66 1bw3 s TYR 46 Ca -0.14 0.04 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 1bw3 s TYR 46 Cb 0.06 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1bw3 s TYR 46 CO 0.70 0.49 0.58 0.20 -1.11 0.00 0.00 175.55 176.41 1bw3 s GLY 47 N -3.54 1.46 -0.40 0.71 0.00 -1.23 -4.80 107.32 99.52 1bw3 s GLY 47 Ca 0.34 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 44.03 1bw3 s GLY 47 CO 0.28 -0.96 0.38 0.66 0.00 0.00 0.00 173.10 173.46 1bw3 s TRP 48 N -2.38 0.14 0.00 1.90 1.48 -1.26 0.60 118.94 119.43 1bw3 s TRP 48 Ca 0.44 -1.42 0.00 0.00 -1.06 0.00 0.00 56.10 54.06 1bw3 s TRP 48 Cb -0.10 -0.56 0.00 0.00 -1.16 0.00 0.00 33.47 31.66 1bw3 s TRP 48 CO 0.36 -0.94 0.00 0.25 -4.06 0.00 0.00 176.95 172.55 1bw3 n THR 49 N 3.58 0.00 -4.14 0.66 -2.24 0.95 -4.59 114.28 108.49 1bw3 n THR 49 Ca 0.18 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.72 1bw3 n THR 49 Cb 0.46 -1.89 -0.07 0.00 -2.10 0.00 0.00 70.33 66.72 1bw3 n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw3 s ALA 50 N -3.79 3.53 0.35 6.98 0.00 -1.26 -1.16 121.76 126.41 1bw3 s ALA 50 Ca 0.00 -2.04 -0.20 0.00 0.00 0.00 0.00 51.96 49.72 1bw3 s ALA 50 Cb 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.57 1bw3 s ALA 50 CO 0.00 -0.10 0.85 0.12 0.00 0.00 0.00 175.76 176.63 1bw3 s PHE 51 N -2.56 3.43 0.14 0.00 2.19 -0.04 -4.72 117.98 116.42 1bw3 s PHE 51 Ca 0.40 1.48 -0.05 0.00 0.33 0.00 0.00 56.93 59.09 1bw3 s PHE 51 Cb 0.02 -2.73 -0.02 0.00 -1.31 0.00 0.00 43.02 38.98 1bw3 s PHE 51 CO 0.22 0.06 0.16 0.00 1.83 0.00 0.00 175.22 177.49 1bw3 n GLY 53 N -0.13 3.93 0.00 0.00 0.00 -1.26 -2.86 105.19 104.88 1bw3 n GLY 53 Ca -0.08 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.75 1bw3 n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bw3 n PRO 54 N -0.50 0.05 -2.56 1.61 -0.04 -1.26 -4.88 135.00 127.42 1bw3 n PRO 54 Ca -0.08 0.24 -0.37 0.00 -0.04 0.00 0.00 63.50 63.25 1bw3 n PRO 54 Cb 0.26 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 1bw3 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw3 n ALA 55 N -1.45 5.81 -3.88 0.55 0.00 -1.26 -4.89 120.51 115.39 1bw3 n ALA 55 Ca 0.04 -4.52 -0.28 0.00 0.00 0.00 0.00 53.44 48.68 1bw3 n ALA 55 Cb 0.14 -1.74 -0.12 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.22 4.08 3.55 0.00 0.00 -1.13 -2.04 105.19 109.42 1bw3 n GLY 56 Ca 0.44 -2.61 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 1bw3 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw3 s PRO 57 N -1.53 2.99 0.10 1.61 0.05 -1.26 -4.90 135.00 132.05 1bw3 s PRO 57 Ca 0.26 0.06 -0.15 0.00 0.05 0.00 0.00 61.00 61.22 1bw3 s PRO 57 Cb -0.03 -4.27 0.03 0.00 0.05 0.00 0.00 34.50 30.28 1bw3 s PRO 57 CO -0.16 -2.37 0.35 0.50 0.05 0.00 0.00 177.00 175.37 1bw3 s ARG 58 N 6.21 0.98 0.00 4.56 3.00 -1.26 -5.03 118.95 127.41 1bw3 s ARG 58 Ca 0.47 -0.69 0.00 0.00 -1.00 0.00 0.00 55.73 54.50 1bw3 s ARG 58 Cb -0.10 0.43 0.00 0.00 0.00 0.00 0.00 34.95 35.28 1bw3 s ARG 58 CO 0.17 -0.36 0.00 0.41 0.00 0.00 0.00 175.30 175.52 1bw3 n GLY 59 N -0.03 1.31 0.23 8.12 0.00 -1.26 -4.98 105.19 108.58 1bw3 n GLY 59 Ca -0.16 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.17 -0.54 1.61 6.02 -1.26 0.47 117.38 123.51 1bw3 n GLN 60 Ca 0.00 0.89 -0.03 0.00 -0.01 0.00 0.00 57.00 57.86 1bw3 n GLN 60 Cb 0.00 -1.32 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 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 -3.65 4.15 -0.00 -1.58 0.00 -1.26 -3.51 120.51 114.65 1bw3 n ALA 61 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1bw3 n ALA 61 Cb 0.21 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 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 1.83 2.04 -2.22 0.00 0.00 0.18 -4.89 120.51 117.44 1bw3 n ALA 62 Ca 0.09 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 1bw3 n ALA 62 Cb 0.52 -0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 6.46 -0.06 3.94 0.00 0.00 -1.26 -5.07 105.19 109.19 1bw3 n GLY 64 Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 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 2.89 0.36 1.61 3.01 -0.59 -4.73 119.74 122.29 1bw3 s LYS 65 Ca 0.00 -1.19 0.07 0.00 -1.01 0.00 0.00 55.97 53.84 1bw3 s LYS 65 Cb 0.00 -2.65 -0.07 0.00 -1.01 0.00 0.00 37.83 34.10 1bw3 s LYS 65 CO 0.00 -0.00 -0.02 0.00 0.51 0.00 0.00 175.35 175.84 1bw3 s LEU 67 N -3.60 1.62 -0.20 0.00 0.20 0.11 -0.11 118.68 116.70 1bw3 s LEU 67 Ca 0.34 -0.32 -0.11 0.00 0.69 0.00 0.00 54.13 54.72 1bw3 s LEU 67 Cb 0.07 -0.88 -0.05 0.00 -0.43 0.00 0.00 46.19 44.90 1bw3 s LEU 67 CO 0.16 0.02 0.18 -0.60 -0.29 0.00 0.00 176.35 175.81 1bw3 s ARG 68 N 0.82 4.17 -0.08 1.98 3.52 -0.27 -1.04 118.95 128.05 1bw3 s ARG 68 Ca -0.11 -0.16 0.05 0.00 -0.13 0.00 0.00 55.73 55.37 1bw3 s ARG 68 Cb -0.15 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1bw3 s ARG 68 CO 0.02 0.22 -0.24 0.08 -0.81 0.00 0.00 175.30 174.57 1bw3 s VAL 69 N 0.58 2.13 0.03 7.11 1.01 -0.27 -0.87 120.40 130.11 1bw3 s VAL 69 Ca 0.10 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.13 1bw3 s VAL 69 Cb -0.12 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1bw3 s VAL 69 CO 0.01 0.56 -0.21 -0.89 0.00 0.00 0.00 175.10 174.57 1bw3 s THR 70 N 0.11 1.72 -0.74 3.92 2.01 0.37 -0.85 115.64 122.18 1bw3 s THR 70 Ca -0.11 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 60.76 1bw3 s THR 70 Cb -0.16 -1.48 0.25 0.00 0.01 0.00 0.00 72.50 71.12 1bw3 s THR 70 CO 0.06 0.28 0.86 -3.20 -0.69 0.00 0.00 174.62 171.94 1bw3 n ASN 71 N 2.00 4.22 -0.33 3.53 5.15 0.69 -0.97 115.26 129.55 1bw3 n ASN 71 Ca -0.17 -3.41 -0.11 0.00 -0.60 0.00 0.00 54.58 50.29 1bw3 n ASN 71 Cb 0.53 -0.81 -0.09 0.00 -0.53 0.00 0.00 39.78 38.88 1bw3 n ASN 71 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1bw3 h PRO 72 N 4.61 -0.12 -0.71 1.20 0.11 -1.83 0.11 132.00 135.37 1bw3 h PRO 72 Ca 0.19 0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.54 1bw3 h PRO 72 Cb 0.67 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.75 1bw3 h PRO 72 CO 0.92 -0.08 0.48 0.00 -0.21 0.00 0.00 178.00 179.11 1bw3 n ALA 73 N -3.20 0.70 -0.03 -0.75 0.00 -1.26 -0.20 120.51 115.76 1bw3 n ALA 73 Ca 0.01 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.77 1bw3 n ALA 73 Cb 0.29 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 1bw3 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bw3 n THR 74 N -3.38 0.39 0.00 0.00 -2.24 0.17 -5.03 114.28 104.19 1bw3 n THR 74 Ca 0.19 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1bw3 n THR 74 Cb 0.78 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 3.16 0.65 3.79 3.38 0.00 0.72 -5.07 105.19 111.82 1bw3 n GLY 75 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 2.52 -0.21 4.61 0.00 -1.24 -4.78 121.76 120.66 1bw3 s ALA 76 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 51.96 52.18 1bw3 s ALA 76 Cb 0.00 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.92 1bw3 s ALA 76 CO 0.00 -1.26 0.54 1.14 0.00 0.00 0.00 175.76 176.19 1bw3 s GLN 77 N -4.41 0.59 0.14 0.00 -2.07 -1.26 -0.22 119.66 112.43 1bw3 s GLN 77 Ca 0.63 0.87 0.03 0.00 -1.82 0.00 0.00 55.36 55.08 1bw3 s GLN 77 Cb -0.18 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 31.88 1bw3 s GLN 77 CO 0.45 -0.12 -0.07 -1.50 -1.32 0.00 0.00 175.29 172.74 1bw3 s ILE 78 N 0.90 0.98 -0.16 3.63 1.10 -0.03 -4.99 121.20 122.63 1bw3 s ILE 78 Ca -0.05 -2.02 0.01 0.00 -0.51 0.00 0.00 60.65 58.08 1bw3 s ILE 78 Cb -0.05 -1.88 0.00 0.00 0.15 0.00 0.00 42.46 40.68 1bw3 s ILE 78 CO -0.08 -0.72 -0.17 -0.89 -2.11 0.00 0.00 174.94 170.98 1bw3 s THR 79 N -3.45 2.49 0.15 4.00 2.01 -1.26 -1.12 115.64 118.46 1bw3 s THR 79 Ca 0.17 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.44 1bw3 s THR 79 Cb 0.04 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1bw3 s THR 79 CO 0.00 0.52 -0.13 0.00 -0.69 0.00 0.00 174.62 174.32 1bw3 s ALA 80 N 0.93 2.83 0.20 7.40 0.00 -0.21 -3.52 121.76 129.38 1bw3 s ALA 80 Ca -0.03 -1.42 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 1bw3 s ALA 80 Cb -0.15 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.20 1bw3 s ALA 80 CO -0.03 0.53 0.64 0.50 0.00 0.00 0.00 175.76 177.40 1bw3 s ARG 81 N -2.52 4.09 -0.53 0.00 6.06 0.20 0.06 118.95 126.32 1bw3 s ARG 81 Ca 0.22 0.66 -0.22 0.00 -2.50 0.00 0.00 55.73 53.89 1bw3 s ARG 81 Cb -0.10 -2.86 0.05 0.00 0.06 0.00 0.00 34.95 32.10 1bw3 s ARG 81 CO 0.13 0.41 0.78 0.42 -2.50 0.00 0.00 175.30 174.54 1bw3 s ILE 82 N -1.54 4.64 0.00 4.11 1.01 0.12 -0.03 121.20 129.50 1bw3 s ILE 82 Ca 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1bw3 s ILE 82 Cb -0.15 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 37.90 1bw3 s ILE 82 CO 0.20 -0.95 0.00 0.55 0.00 0.00 0.00 174.94 174.73 1bw3 n VAL 83 N 5.90 0.00 -4.53 2.92 3.14 -0.31 -4.39 118.33 121.06 1bw3 n VAL 83 Ca -0.02 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.04 1bw3 n VAL 83 Cb 0.46 -0.65 -0.05 0.00 -1.06 0.00 0.00 33.84 32.54 1bw3 n VAL 83 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1bw3 s ASP 84 N -3.58 4.28 -0.19 6.55 1.01 -1.16 -2.08 116.67 121.52 1bw3 s ASP 84 Ca 0.00 -1.57 -0.01 0.00 0.71 0.00 0.00 52.55 51.68 1bw3 s ASP 84 Cb 0.00 0.59 0.00 0.00 1.01 0.00 0.00 42.92 44.52 1bw3 s ASP 84 CO 0.00 -0.97 -0.13 -1.10 0.21 0.00 0.00 175.17 173.18 1bw3 s GLN 85 N -4.01 3.20 0.52 8.23 -0.21 -1.26 -0.86 119.66 125.27 1bw3 s GLN 85 Ca 0.11 -0.73 -0.09 0.00 0.02 0.00 0.00 55.36 54.67 1bw3 s GLN 85 Cb -0.00 -2.74 -0.04 0.00 1.00 0.00 0.00 33.01 31.22 1bw3 s GLN 85 CO 0.07 -0.13 0.87 0.00 -2.12 0.00 0.00 175.29 173.98 1bw3 n ALA 87 N -2.22 0.00 -2.66 0.00 0.00 -1.26 -4.83 120.51 109.53 1bw3 n ALA 87 Ca 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 1bw3 n ALA 87 Cb 0.54 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.93 2.11 0.00 0.00 6.94 -1.26 -4.88 115.26 117.24 1bw3 n ASN 88 Ca 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 54.58 51.98 1bw3 n ASN 88 Cb 0.00 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 36.94 1bw3 n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw3 n GLY 89 N -0.40 3.45 0.00 4.83 0.00 -1.26 -5.06 105.19 106.74 1bw3 n GLY 89 Ca 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 2.31 2.69 -0.02 0.00 -1.26 -4.60 105.19 104.32 1bw3 n GLY 90 Ca 0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 1bw3 n GLY 90 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1bw3 n LEU 91 N 0.00 4.87 -3.90 0.99 -0.00 -1.24 -4.75 117.00 112.97 1bw3 n LEU 91 Ca 0.00 -5.40 -0.11 0.00 -0.00 0.00 0.00 56.01 50.51 1bw3 n LEU 91 Cb 0.00 -0.56 -0.11 0.00 -0.00 0.00 0.00 43.42 42.76 1bw3 n LEU 91 CO 0.00 2.26 -0.24 1.51 -0.00 0.00 0.00 177.39 180.91 1bw3 s ASP 92 N -3.31 0.07 0.00 1.45 -4.77 -1.26 -4.65 116.67 104.21 1bw3 s ASP 92 Ca 0.48 -0.24 -0.02 0.00 -3.30 0.00 0.00 52.55 49.47 1bw3 s ASP 92 Cb 0.35 0.17 -0.01 0.00 -1.09 0.00 0.00 42.92 42.34 1bw3 s ASP 92 CO -0.18 -0.30 -0.04 0.18 0.70 0.00 0.00 175.17 175.53 1bw3 n LEU 93 N 1.73 0.50 0.00 2.11 4.32 -1.26 -4.47 117.00 119.93 1bw3 n LEU 93 Ca -0.22 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1bw3 n LEU 93 Cb 0.56 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1bw3 n LEU 93 CO 0.21 -0.54 0.00 -0.67 -1.22 0.00 0.00 177.39 175.17 1bw3 n ASP 94 N -2.97 0.00 0.01 -1.43 -0.08 -1.26 -3.20 116.55 107.61 1bw3 n ASP 94 Ca -0.02 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1bw3 n ASP 94 Cb 0.06 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.32 1bw3 n ASP 94 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1bw3 n TRP 95 N -1.48 -0.99 1.08 -0.67 -0.00 -1.26 -4.87 117.44 109.24 1bw3 n TRP 95 Ca 0.00 0.04 0.06 0.00 -0.00 0.00 0.00 57.50 57.60 1bw3 n TRP 95 Cb 0.00 0.27 0.38 0.00 -0.00 0.00 0.00 31.31 31.96 1bw3 n TRP 95 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1bw3 n ASP 96 N -2.06 0.00 -0.01 5.87 5.75 -1.26 -3.11 116.55 121.74 1bw3 n ASP 96 Ca 0.00 -0.67 -0.01 0.00 -0.01 0.00 0.00 54.79 54.10 1bw3 n ASP 96 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1bw3 n ASP 96 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1bw3 n THR 97 N -0.87 0.16 0.00 2.12 -2.24 -1.26 -4.71 114.28 107.48 1bw3 n THR 97 Ca 0.10 0.47 0.00 0.00 -2.27 0.00 0.00 64.05 62.35 1bw3 n THR 97 Cb 0.04 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 1bw3 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1bw3 n VAL 98 N -2.52 0.00 0.00 2.28 0.31 -1.24 -4.66 118.33 112.50 1bw3 n VAL 98 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1bw3 n VAL 98 Cb 0.03 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1bw3 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw3 n PHE 99 N -1.37 0.00 -0.23 3.52 7.35 -1.24 -3.55 117.46 121.93 1bw3 n PHE 99 Ca 0.00 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.88 1bw3 n PHE 99 Cb 0.00 0.00 0.32 0.00 0.35 0.00 0.00 39.48 40.15 1bw3 n PHE 99 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1bw3 n THR 100 N 0.00 -0.09 0.02 -2.13 -1.04 -1.18 -0.30 114.28 109.57 1bw3 n THR 100 Ca 0.00 0.77 -0.01 0.00 -2.04 0.00 0.00 64.05 62.78 1bw3 n THR 100 Cb 0.00 -1.27 0.29 0.00 -1.82 0.00 0.00 70.33 67.53 1bw3 n THR 100 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1bw3 h LYS 101 N 0.00 0.47 -0.71 -2.82 1.79 -1.77 -3.00 116.57 110.53 1bw3 h LYS 101 Ca 0.40 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1bw3 h LYS 101 Cb 1.36 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1bw3 h LYS 101 CO -0.16 0.56 0.00 0.44 -1.08 0.00 0.00 179.45 179.21 1bw3 n ILE 102 N -4.24 1.20 -3.92 1.86 -5.35 0.59 -4.72 119.36 104.78 1bw3 n ILE 102 Ca 0.01 -0.65 -0.30 0.00 -0.27 0.00 0.00 62.75 61.53 1bw3 n ILE 102 Cb 0.29 -0.26 -0.15 0.00 -1.74 0.00 0.00 39.64 37.77 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 -0.51 4.04 0.46 7.28 -1.08 -1.13 -4.71 116.67 121.02 1bw3 s ASP 103 Ca 0.27 -1.43 0.09 0.00 -0.52 0.00 0.00 52.55 50.96 1bw3 s ASP 103 Cb 0.19 -1.20 0.48 0.00 -1.46 0.00 0.00 42.92 40.93 1bw3 s ASP 103 CO 0.10 -0.29 1.16 0.71 0.52 0.00 0.00 175.17 177.37 1bw3 h THR 104 N 6.63 0.00 0.00 1.71 1.35 -1.85 -3.34 112.91 117.41 1bw3 h THR 104 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1bw3 h THR 104 Cb 1.05 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1bw3 h THR 104 CO 0.44 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.25 1bw3 n ASN 105 N -2.20 -0.88 0.00 5.36 2.04 -1.26 -5.08 115.26 113.25 1bw3 n ASN 105 Ca -0.01 0.37 0.00 0.00 -0.44 0.00 0.00 54.58 54.50 1bw3 n ASN 105 Cb 0.62 0.98 0.00 0.00 -2.53 0.00 0.00 39.78 38.85 1bw3 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bw3 n GLY 106 N 0.55 0.00 0.13 4.83 0.00 -1.26 -5.01 105.19 104.43 1bw3 n GLY 106 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1bw3 n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bw3 h ILE 107 N 0.00 0.74 -0.02 -0.61 1.08 -1.97 -2.55 117.51 114.18 1bw3 h ILE 107 Ca 0.00 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.26 1bw3 h ILE 107 Cb 0.00 0.74 0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1bw3 h ILE 107 CO 0.00 0.00 -0.81 1.23 -0.69 0.00 0.00 178.15 177.88 1bw3 h GLY 108 N -0.04 0.65 -0.86 5.37 0.00 -1.97 -3.35 103.07 102.87 1bw3 h GLY 108 Ca 0.11 -1.10 0.10 0.00 0.00 0.00 0.00 47.33 46.44 1bw3 h GLY 108 CO -0.23 0.97 -0.43 2.98 0.00 0.00 0.00 176.54 179.83 1bw3 n TYR 109 N -4.03 -0.19 -1.21 5.60 9.36 -0.99 -0.16 117.16 125.54 1bw3 n TYR 109 Ca -0.10 1.06 -0.21 0.00 3.32 0.00 0.00 57.90 61.97 1bw3 n TYR 109 Cb 0.77 -0.68 -0.03 0.00 -0.63 0.00 0.00 39.34 38.77 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 -5.16 2.12 0.00 2.98 10.64 -1.03 -4.14 117.38 122.79 1bw3 n GLN 110 Ca 0.05 -1.89 0.00 0.00 -1.83 0.00 0.00 57.00 53.33 1bw3 n GLN 110 Cb 0.28 -1.91 0.00 0.00 -0.86 0.00 0.00 30.24 27.74 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 0.84 0.00 0.00 2.61 7.27 0.77 -5.07 117.38 123.80 1bw3 n GLN 111 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.47 1bw3 n GLN 111 Cb 0.59 -0.05 0.00 0.00 2.41 0.00 0.00 30.24 33.19 1bw3 n GLN 111 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bw3 n GLY 112 N -0.57 4.12 3.26 1.69 0.00 -0.49 -5.10 105.19 108.10 1bw3 n GLY 112 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 0.71 0.27 1.61 0.00 -1.26 -3.77 115.29 112.85 1bw3 s HIS 113 Ca 0.00 -1.05 0.02 0.00 -3.00 0.00 0.00 55.06 51.03 1bw3 s HIS 113 Cb 0.00 -0.29 -0.05 0.00 -4.00 0.00 0.00 32.58 28.23 1bw3 s HIS 113 CO 0.00 -0.65 0.08 -1.17 -1.00 0.00 0.00 174.74 172.01 1bw3 s LEU 114 N -3.04 1.78 -0.36 5.38 2.96 -0.20 -4.57 118.68 120.64 1bw3 s LEU 114 Ca 0.24 -1.38 -0.02 0.00 -0.22 0.00 0.00 54.13 52.75 1bw3 s LEU 114 Cb 0.05 -0.08 0.08 0.00 0.50 0.00 0.00 46.19 46.74 1bw3 s LEU 114 CO 0.03 -0.70 0.11 0.21 -1.32 0.00 0.00 176.35 174.68 1bw3 s ASN 115 N -3.35 5.09 0.36 3.68 3.84 -1.26 -1.91 114.94 121.38 1bw3 s ASN 115 Ca 0.37 -1.66 0.03 0.00 0.21 0.00 0.00 52.86 51.81 1bw3 s ASN 115 Cb 0.08 -1.77 -0.04 0.00 -0.55 0.00 0.00 41.25 38.96 1bw3 s ASN 115 CO 0.14 -0.40 0.09 0.68 -2.79 0.00 0.00 177.10 174.82 1bw3 s VAL 116 N 1.19 0.87 0.12 -5.21 -7.23 -1.16 -4.66 120.40 104.32 1bw3 s VAL 116 Ca 0.02 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1bw3 s VAL 116 Cb -0.21 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1bw3 s VAL 116 CO -0.03 0.00 -0.18 0.20 -0.31 0.00 0.00 175.10 174.79 1bw3 s ASN 117 N -3.52 2.37 0.06 4.85 0.01 -0.15 -1.42 114.94 117.13 1bw3 s ASN 117 Ca 0.31 -0.76 -0.17 0.00 -0.71 0.00 0.00 52.86 51.53 1bw3 s ASN 117 Cb 0.06 -0.12 0.03 0.00 0.41 0.00 0.00 41.25 41.64 1bw3 s ASN 117 CO 0.15 -0.03 0.40 -0.72 -1.51 0.00 0.00 177.10 175.39 1bw3 s TYR 118 N -1.66 -0.24 -0.03 2.20 -0.85 -0.06 -0.48 117.35 116.24 1bw3 s TYR 118 Ca 0.09 0.12 -0.01 0.00 -0.52 0.00 0.00 57.07 56.75 1bw3 s TYR 118 Cb -0.08 0.22 0.02 0.00 0.38 0.00 0.00 41.96 42.51 1bw3 s TYR 118 CO 0.04 -0.60 0.05 -0.65 -1.52 0.00 0.00 175.55 172.88 1bw3 s GLN 119 N -2.82 0.01 0.32 -3.49 -1.52 -0.05 -2.02 119.66 110.08 1bw3 s GLN 119 Ca -0.03 0.17 -0.29 0.00 -1.95 0.00 0.00 55.36 53.26 1bw3 s GLN 119 Cb -0.00 -0.14 -0.11 0.00 -0.22 0.00 0.00 33.01 32.54 1bw3 s GLN 119 CO -0.05 -0.11 1.51 -0.06 -0.25 0.00 0.00 175.29 176.33 1bw3 s PHE 120 N 0.72 2.77 0.23 0.91 0.40 -0.37 -1.11 117.98 121.54 1bw3 s PHE 120 Ca -0.06 1.01 -0.02 0.00 -0.60 0.00 0.00 56.93 57.26 1bw3 s PHE 120 Cb -0.08 -3.97 -0.03 0.00 0.51 0.00 0.00 43.02 39.44 1bw3 s PHE 120 CO -0.02 -3.08 0.22 0.08 0.70 0.00 0.00 175.22 173.12 1bw3 s VAL 121 N -0.47 0.00 0.40 -0.44 1.01 0.85 -4.80 120.40 116.95 1bw3 s VAL 121 Ca 0.58 -1.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.63 1bw3 s VAL 121 Cb -0.46 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1bw3 s VAL 121 CO 0.53 0.00 0.68 -0.62 0.00 0.00 0.00 175.10 175.68 1bw3 s ASP 122 N -3.17 6.33 -0.14 3.32 -1.08 -1.26 -1.11 116.67 119.57 1bw3 s ASP 122 Ca 0.36 0.78 -0.10 0.00 -0.52 0.00 0.00 52.55 53.07 1bw3 s ASP 122 Cb 0.05 -2.18 -0.25 0.00 -1.46 0.00 0.00 42.92 39.08 1bw3 s ASP 122 CO 0.14 -0.42 0.35 0.00 0.52 0.00 0.00 175.17 175.76 1bw3 n ARG 124 N -3.71 -0.63 0.00 0.00 0.63 -1.26 -5.10 116.66 106.59 1bw3 n ARG 124 Ca -0.32 -0.24 0.14 0.00 -0.92 0.00 0.00 57.85 56.52 1bw3 n ARG 124 Cb 0.96 -0.75 0.52 0.00 0.45 0.00 0.00 32.46 33.65 1bw3 n ARG 124 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65