#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw4 s GLN 2 N 0.00 0.33 -0.05 3.44 -0.21 -1.26 -2.81 119.66 119.10 1bw4 s GLN 2 Ca 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 55.36 55.28 1bw4 s GLN 2 Cb 0.00 -0.34 0.01 0.00 1.00 0.00 0.00 33.01 33.68 1bw4 s GLN 2 CO 0.00 0.07 -0.12 0.00 -2.12 0.00 0.00 175.29 173.11 1bw4 s ALA 3 N 0.01 1.20 0.34 6.09 0.00 -1.13 -5.06 121.76 123.22 1bw4 s ALA 3 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1bw4 s ALA 3 Cb -0.03 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 1bw4 s ALA 3 CO -0.00 0.15 0.07 -0.80 0.00 0.00 0.00 175.76 175.18 1bw4 s ASN 4 N 0.43 2.50 -1.59 0.00 -0.87 -1.26 -2.21 114.94 111.93 1bw4 s ASN 4 Ca -0.09 -1.44 -0.07 0.00 -1.57 0.00 0.00 52.86 49.69 1bw4 s ASN 4 Cb -0.13 0.04 0.07 0.00 -0.02 0.00 0.00 41.25 41.20 1bw4 s ASN 4 CO 0.02 -0.67 0.37 -0.67 -2.57 0.00 0.00 177.10 173.58 1bw4 n ASP 5 N -0.81 -0.66 -4.83 -1.22 2.03 -1.23 -4.91 116.55 104.92 1bw4 n ASP 5 Ca -0.03 -1.14 -0.36 0.00 0.52 0.00 0.00 54.79 53.77 1bw4 n ASP 5 Cb 0.66 -2.26 -0.07 0.00 -0.72 0.00 0.00 41.12 38.73 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1bw4 s VAL 6 N -3.88 5.20 -0.79 5.18 1.01 -0.99 -4.96 120.40 121.16 1bw4 s VAL 6 Ca 0.27 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 1bw4 s VAL 6 Cb -0.15 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 33.02 1bw4 s VAL 6 CO 0.96 0.60 1.24 -0.13 0.00 0.00 0.00 175.10 177.77 1bw4 s ARG 7 N -1.04 3.27 -0.59 2.72 0.52 -1.26 -2.78 118.95 119.80 1bw4 s ARG 7 Ca 0.15 -0.63 -0.27 0.00 -0.52 0.00 0.00 55.73 54.46 1bw4 s ARG 7 Cb -0.12 -4.46 0.03 0.00 0.52 0.00 0.00 34.95 30.92 1bw4 s ARG 7 CO 0.04 -2.07 1.14 0.00 0.02 0.00 0.00 175.30 174.44 1bw4 s ALA 8 N 5.06 3.02 -1.08 2.13 0.00 0.58 -4.87 121.76 126.59 1bw4 s ALA 8 Ca 0.34 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 1bw4 s ALA 8 Cb -0.08 -3.99 0.10 0.00 0.00 0.00 0.00 23.12 19.15 1bw4 s ALA 8 CO 0.08 -2.65 1.41 0.95 0.00 0.00 0.00 175.76 175.54 1bw4 s THR 9 N 4.78 4.41 -0.05 0.00 -4.23 -1.26 -0.59 115.64 118.71 1bw4 s THR 9 Ca 0.39 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 1bw4 s THR 9 Cb -0.09 -4.97 -0.02 0.00 1.34 0.00 0.00 72.50 68.76 1bw4 s THR 9 CO 0.23 -1.77 0.99 -0.72 -0.54 0.00 0.00 174.62 172.82 1bw4 s TYR 10 N 3.50 3.59 0.08 3.99 1.13 -1.21 -3.59 117.35 124.84 1bw4 s TYR 10 Ca 0.43 1.65 -0.11 0.00 -1.41 0.00 0.00 57.07 57.63 1bw4 s TYR 10 Cb -0.01 -3.15 0.01 0.00 -1.10 0.00 0.00 41.96 37.70 1bw4 s TYR 10 CO -0.04 -0.12 0.25 -1.58 -2.51 0.00 0.00 175.55 171.55 1bw4 s HIS 11 N 1.50 0.03 0.24 -3.49 2.46 -1.15 -4.86 115.29 110.01 1bw4 s HIS 11 Ca 0.50 -0.36 -0.11 0.00 0.47 0.00 0.00 55.06 55.56 1bw4 s HIS 11 Cb -0.20 0.03 -0.01 0.00 -0.13 0.00 0.00 32.58 32.28 1bw4 s HIS 11 CO 0.23 -0.55 0.43 1.52 -2.47 0.00 0.00 174.74 173.90 1bw4 s TYR 12 N -3.47 0.48 -0.11 3.88 1.13 -1.26 -1.85 117.35 116.16 1bw4 s TYR 12 Ca 0.02 -0.83 0.01 0.00 -1.41 0.00 0.00 57.07 54.86 1bw4 s TYR 12 Cb 0.03 0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.96 1bw4 s TYR 12 CO -0.09 -0.95 -0.15 0.71 -2.51 0.00 0.00 175.55 172.55 1bw4 s TYR 13 N -4.00 2.74 -0.49 -3.49 1.51 -0.86 -4.89 117.35 107.86 1bw4 s TYR 13 Ca 0.25 -0.60 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 1bw4 s TYR 13 Cb 0.00 -1.77 0.41 0.00 -0.11 0.00 0.00 41.96 40.49 1bw4 s TYR 13 CO 0.10 -0.16 1.26 2.89 -1.11 0.00 0.00 175.55 178.53 1bw4 n ARG 14 N 3.26 3.33 -0.20 -0.62 1.85 -1.26 -1.61 116.66 121.42 1bw4 n ARG 14 Ca -0.18 -4.32 0.18 0.00 -1.00 0.00 0.00 57.85 52.52 1bw4 n ARG 14 Cb 0.53 -2.26 0.31 0.00 -1.05 0.00 0.00 32.46 29.99 1bw4 n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1bw4 n PRO 15 N -0.51 -0.02 -0.11 2.89 -0.02 -1.26 -2.33 135.00 133.64 1bw4 n PRO 15 Ca 0.42 0.63 0.03 0.00 -2.02 0.00 0.00 63.50 62.56 1bw4 n PRO 15 Cb 0.62 -1.19 0.07 0.00 -0.02 0.00 0.00 33.50 32.97 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 n ALA 16 N -2.60 0.11 -0.22 3.55 0.00 -1.26 -0.52 120.51 119.57 1bw4 n ALA 16 Ca 0.19 0.33 0.18 0.00 0.00 0.00 0.00 53.44 54.14 1bw4 n ALA 16 Cb 0.70 -0.22 0.34 0.00 0.00 0.00 0.00 19.45 20.27 1bw4 n ALA 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bw4 n GLN 17 N -4.35 -0.04 -2.80 0.00 1.13 -0.98 0.55 117.38 110.88 1bw4 n GLN 17 Ca 0.06 0.96 -0.32 0.00 -1.94 0.00 0.00 57.00 55.77 1bw4 n GLN 17 Cb 0.19 -1.67 -0.02 0.00 0.11 0.00 0.00 30.24 28.86 1bw4 n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1bw4 n ASN 18 N -4.65 5.47 -4.22 1.08 2.85 0.33 -4.85 115.26 111.27 1bw4 n ASN 18 Ca 0.23 -3.69 -0.35 0.00 -0.11 0.00 0.00 54.58 50.65 1bw4 n ASN 18 Cb 0.77 -0.76 -0.08 0.00 1.24 0.00 0.00 39.78 40.96 1bw4 n ASN 18 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bw4 n ASN 19 N -0.21 -0.83 -3.53 1.20 2.85 0.19 -0.09 115.26 114.84 1bw4 n ASN 19 Ca 0.37 -1.14 -0.30 0.00 -0.11 0.00 0.00 54.58 53.41 1bw4 n ASN 19 Cb 0.36 -1.44 0.02 0.00 1.24 0.00 0.00 39.78 39.95 1bw4 n ASN 19 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1bw4 n TRP 20 N -3.88 -2.15 -1.81 1.20 7.02 -1.10 -4.72 117.44 112.00 1bw4 n TRP 20 Ca -0.02 0.90 -0.42 0.00 -1.02 0.00 0.00 57.50 56.93 1bw4 n TRP 20 Cb 0.48 -2.10 0.00 0.00 -2.42 0.00 0.00 31.31 27.27 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1bw4 n ASP 21 N -1.32 4.01 0.10 -0.99 -0.08 0.88 -4.68 116.55 114.47 1bw4 n ASP 21 Ca -0.20 -2.87 0.04 0.00 -1.51 0.00 0.00 54.79 50.26 1bw4 n ASP 21 Cb 0.64 -1.65 0.23 0.00 2.34 0.00 0.00 41.12 42.69 1bw4 n ASP 21 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bw4 n LEU 22 N 5.96 0.22 -1.77 -2.67 4.77 -1.26 -0.06 117.00 122.19 1bw4 n LEU 22 Ca 0.51 0.47 -0.03 0.00 -0.03 0.00 0.00 56.01 56.94 1bw4 n LEU 22 Cb 0.39 -0.45 0.30 0.00 -2.33 0.00 0.00 43.42 41.33 1bw4 n LEU 22 CO 0.89 -0.55 0.95 0.61 -1.33 0.00 0.00 177.39 177.96 1bw4 n GLY 23 N -1.29 3.78 3.75 -0.72 0.00 -1.26 -0.09 105.19 109.36 1bw4 n GLY 23 Ca -0.01 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 1bw4 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 24 N -2.98 3.40 0.34 4.61 0.00 0.91 -4.80 121.76 123.24 1bw4 s ALA 24 Ca 0.53 0.27 0.11 0.00 0.00 0.00 0.00 51.96 52.87 1bw4 s ALA 24 Cb 0.42 -2.96 1.04 0.00 0.00 0.00 0.00 23.12 21.62 1bw4 s ALA 24 CO 0.12 0.12 1.58 -1.00 0.00 0.00 0.00 175.76 176.58 1bw4 h PRO 25 N 5.43 0.02 -0.68 0.00 0.13 -1.93 0.42 132.00 135.39 1bw4 h PRO 25 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1bw4 h PRO 25 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bw4 h PRO 25 CO 0.70 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 1bw4 n ALA 26 N -2.69 2.99 0.11 -0.56 0.00 -1.26 -4.48 120.51 114.62 1bw4 n ALA 26 Ca 0.30 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1bw4 n ALA 26 Cb 1.01 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1bw4 n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bw4 n VAL 27 N 0.37 0.38 -2.55 0.00 0.31 0.14 -5.10 118.33 111.88 1bw4 n VAL 27 Ca 0.13 0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1bw4 n VAL 27 Cb 0.61 -0.84 0.01 0.00 -0.91 0.00 0.00 33.84 32.71 1bw4 n VAL 27 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bw4 n SER 28 N -3.47 -4.23 -4.86 4.52 3.41 -0.61 -4.91 113.62 103.46 1bw4 n SER 28 Ca 0.00 0.10 -0.32 0.00 -0.26 0.00 0.00 58.87 58.38 1bw4 n SER 28 Cb 0.01 -1.10 -0.06 0.00 -0.26 0.00 0.00 64.21 62.80 1bw4 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw4 s ALA 29 N -0.84 3.48 0.03 7.33 0.00 0.87 -5.01 121.76 127.63 1bw4 s ALA 29 Ca 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 1bw4 s ALA 29 Cb -0.01 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1bw4 s ALA 29 CO 0.28 0.44 0.57 0.98 0.00 0.00 0.00 175.76 178.03 1bw4 n TYR 30 N -0.13 -0.09 -1.21 0.00 4.19 -1.26 -2.28 117.16 116.37 1bw4 n TYR 30 Ca 0.01 0.25 -0.02 0.00 3.31 0.00 0.00 57.90 61.45 1bw4 n TYR 30 Cb 0.53 -0.36 0.24 0.00 0.49 0.00 0.00 39.34 40.23 1bw4 n TYR 30 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bw4 h ALA 32 N 1.55 0.46 -0.55 0.00 0.00 -1.74 0.21 119.26 119.19 1bw4 h ALA 32 Ca 0.19 0.30 0.16 0.00 0.00 0.00 0.00 54.91 55.56 1bw4 h ALA 32 Cb 1.82 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 1bw4 h ALA 32 CO 0.46 -0.44 0.80 1.15 0.00 0.00 0.00 179.25 181.22 1bw4 h THR 33 N -0.01 0.13 0.00 0.00 2.02 -1.83 -1.36 112.91 111.86 1bw4 h THR 33 Ca 0.37 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.39 1bw4 h THR 33 Cb 0.58 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1bw4 h THR 33 CO -0.81 0.00 -1.54 0.79 0.37 0.00 0.00 175.52 174.32 1bw4 n TRP 34 N -3.28 0.00 -0.04 3.16 8.01 0.62 -4.89 117.44 121.01 1bw4 n TRP 34 Ca 0.11 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.14 1bw4 n TRP 34 Cb 0.99 -0.36 -0.14 0.00 -2.01 0.00 0.00 31.31 29.79 1bw4 n TRP 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1bw4 n ASP 35 N -3.05 1.52 0.21 -0.99 9.92 -0.46 -4.50 116.55 119.21 1bw4 n ASP 35 Ca -0.18 0.16 0.02 0.00 -0.53 0.00 0.00 54.79 54.26 1bw4 n ASP 35 Cb 0.66 -0.34 0.12 0.00 -0.64 0.00 0.00 41.12 40.92 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bw4 h ALA 36 N 0.40 1.54 0.00 2.24 0.00 -1.45 0.20 119.26 122.20 1bw4 h ALA 36 Ca -0.44 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1bw4 h ALA 36 Cb 2.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 1bw4 h ALA 36 CO 0.04 -0.54 -0.77 0.66 0.00 0.00 0.00 179.25 178.64 1bw4 h SER 37 N 0.00 0.00 -3.92 0.00 4.64 -1.79 -3.46 113.55 109.02 1bw4 h SER 37 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1bw4 h SER 37 Cb 1.39 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.53 1bw4 h SER 37 CO 0.00 0.56 0.51 -0.54 -0.87 0.00 0.00 176.83 176.49 1bw4 s LYS 38 N -2.93 4.15 0.34 4.77 -0.14 0.71 -5.00 119.74 121.63 1bw4 s LYS 38 Ca 0.02 1.86 -0.04 0.00 -1.36 0.00 0.00 55.97 56.44 1bw4 s LYS 38 Cb 0.08 -2.76 0.07 0.00 -1.68 0.00 0.00 37.83 33.54 1bw4 s LYS 38 CO 0.77 -0.25 0.15 -0.35 -0.76 0.00 0.00 175.35 174.92 1bw4 n PRO 39 N 0.25 -0.73 -0.01 -1.68 -0.04 -1.26 -4.73 135.00 126.80 1bw4 n PRO 39 Ca 0.03 -0.26 -0.07 0.00 -0.04 0.00 0.00 63.50 63.17 1bw4 n PRO 39 Cb 0.46 -0.48 -0.05 0.00 -0.04 0.00 0.00 33.50 33.38 1bw4 n PRO 39 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bw4 h LEU 40 N 0.00 -0.08 0.00 1.53 3.38 -1.98 -3.21 115.31 114.95 1bw4 h LEU 40 Ca -0.07 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1bw4 h LEU 40 Cb 0.24 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1bw4 h LEU 40 CO 0.04 0.55 0.00 -0.24 0.09 0.00 0.00 178.44 178.88 1bw4 n SER 41 N -4.80 0.00 -0.02 -0.43 2.88 -1.26 -1.71 113.62 108.27 1bw4 n SER 41 Ca -0.05 0.94 -0.12 0.00 -1.33 0.00 0.00 58.87 58.32 1bw4 n SER 41 Cb 0.20 -0.44 -0.06 0.00 -0.75 0.00 0.00 64.21 63.16 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1bw4 h TRP 42 N 0.00 -1.23 -0.80 0.66 7.01 -1.91 -0.89 115.95 118.79 1bw4 h TRP 42 Ca 0.00 0.05 0.15 0.00 2.11 0.00 0.00 58.89 61.20 1bw4 h TRP 42 Cb 0.00 0.56 -0.15 0.00 -2.10 0.00 0.00 29.16 27.48 1bw4 h TRP 42 CO -0.79 -0.47 -0.28 -0.09 -2.79 0.00 0.00 178.44 174.02 1bw4 h ARG 43 N -0.46 -0.05 0.02 2.65 2.43 -1.47 -0.64 114.38 116.87 1bw4 h ARG 43 Ca 0.08 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 1bw4 h ARG 43 Cb 0.62 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1bw4 h ARG 43 CO -0.43 -0.03 -0.62 0.66 -1.51 0.00 0.00 179.97 178.03 1bw4 h SER 44 N -0.05 0.52 0.00 -3.80 4.64 -1.07 -3.37 113.55 110.42 1bw4 h SER 44 Ca 0.34 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1bw4 h SER 44 Cb 0.59 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1bw4 h SER 44 CO -0.84 1.24 0.00 1.17 -0.87 0.00 0.00 176.83 177.53 1bw4 n LYS 45 N -4.21 0.00 0.00 4.77 4.81 -0.36 -4.82 118.16 118.35 1bw4 n LYS 45 Ca -0.11 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1bw4 n LYS 45 Cb 0.69 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.32 1bw4 n LYS 45 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bw4 n TYR 46 N -2.51 0.00 -0.51 5.64 4.01 -0.32 -4.93 117.16 118.55 1bw4 n TYR 46 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bw4 n TYR 46 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1bw4 n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bw4 n GLY 47 N 0.00 0.04 0.00 2.72 0.00 -1.26 -4.15 105.19 102.55 1bw4 n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bw4 n GLY 47 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bw4 n TRP 48 N -0.97 0.00 -3.45 1.61 -0.00 -1.23 -4.84 117.44 108.56 1bw4 n TRP 48 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.36 1bw4 n TRP 48 Cb 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.52 1bw4 n TRP 48 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1bw4 s THR 49 N -0.60 0.00 0.53 5.87 -4.23 0.41 -4.30 115.64 113.32 1bw4 s THR 49 Ca 0.00 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 1bw4 s THR 49 Cb 0.00 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.90 1bw4 s THR 49 CO 0.00 0.00 0.65 0.00 -0.54 0.00 0.00 174.62 174.73 1bw4 s ALA 50 N -3.00 4.58 -0.01 3.99 0.00 -1.24 -1.82 121.76 124.26 1bw4 s ALA 50 Ca -0.02 -1.89 0.01 0.00 0.00 0.00 0.00 51.96 50.06 1bw4 s ALA 50 Cb -0.01 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.80 1bw4 s ALA 50 CO -0.06 -0.63 -0.03 0.12 0.00 0.00 0.00 175.76 175.15 1bw4 s PHE 51 N -2.62 0.35 -0.47 0.00 2.19 0.38 -3.05 117.98 114.77 1bw4 s PHE 51 Ca 0.54 -0.06 0.06 0.00 0.33 0.00 0.00 56.93 57.80 1bw4 s PHE 51 Cb -0.06 -0.25 0.29 0.00 -1.31 0.00 0.00 43.02 41.70 1bw4 s PHE 51 CO 0.34 -0.02 1.03 0.00 1.83 0.00 0.00 175.22 178.40 1bw4 s GLY 53 N -1.43 1.70 0.09 0.00 0.00 -1.26 -3.54 107.32 102.87 1bw4 s GLY 53 Ca 0.26 -1.56 -0.32 0.00 0.00 0.00 0.00 44.72 43.10 1bw4 s GLY 53 CO -0.12 -1.57 1.61 -0.56 0.00 0.00 0.00 173.10 172.46 1bw4 h PRO 54 N 3.27 -0.80 -6.19 2.90 0.13 -1.98 -3.43 132.00 125.90 1bw4 h PRO 54 Ca -0.47 0.05 -0.57 0.00 -0.87 0.00 0.00 66.00 64.14 1bw4 h PRO 54 Cb 1.20 0.18 -0.07 0.00 0.13 0.00 0.00 31.00 32.44 1bw4 h PRO 54 CO 0.48 -0.53 -0.56 0.00 -0.23 0.00 0.00 178.00 177.16 1bw4 s ALA 55 N -6.00 3.59 0.00 -0.56 0.00 -1.26 -5.02 121.76 112.51 1bw4 s ALA 55 Ca -0.17 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1bw4 s ALA 55 Cb 0.05 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1bw4 s ALA 55 CO 0.62 0.49 0.00 0.41 0.00 0.00 0.00 175.76 177.28 1bw4 n GLY 56 N -0.41 0.69 3.55 0.00 0.00 -1.26 -4.98 105.19 102.79 1bw4 n GLY 56 Ca -0.08 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1bw4 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw4 s PRO 57 N 0.00 2.56 0.00 1.61 0.04 -1.26 -4.86 135.00 133.09 1bw4 s PRO 57 Ca 0.00 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1bw4 s PRO 57 Cb 0.00 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 30.13 1bw4 s PRO 57 CO 0.00 -2.80 0.00 -2.13 0.04 0.00 0.00 177.00 172.11 1bw4 n ARG 58 N 9.17 0.00 0.00 4.56 0.00 -1.26 -4.95 116.66 124.17 1bw4 n ARG 58 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 1bw4 n ARG 58 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1bw4 n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bw4 n GLY 59 N 0.00 2.45 0.25 5.14 0.00 -1.26 -4.91 105.19 106.86 1bw4 n GLY 59 Ca 0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1bw4 n GLY 59 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bw4 h GLN 60 N 0.00 -0.54 0.00 1.61 4.20 -1.98 -3.28 115.11 115.12 1bw4 h GLN 60 Ca 0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1bw4 h GLN 60 Cb 0.00 0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1bw4 h GLN 60 CO 0.00 -0.23 -0.38 0.00 -0.67 0.00 0.00 178.83 177.55 1bw4 n ALA 61 N -2.55 0.34 -0.63 3.87 0.00 -1.26 -4.50 120.51 115.78 1bw4 n ALA 61 Ca -0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 1bw4 n ALA 61 Cb 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 1bw4 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n ALA 62 N -3.30 4.55 0.00 0.00 0.00 -1.26 -4.83 120.51 115.67 1bw4 n ALA 62 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1bw4 n ALA 62 Cb 0.20 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1bw4 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw4 n GLY 64 N 0.00 2.97 3.16 0.00 0.00 -1.26 -3.29 105.19 106.76 1bw4 n GLY 64 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 46.02 45.26 1bw4 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bw4 s LYS 65 N 0.00 0.60 -0.66 1.61 1.02 -1.11 -4.82 119.74 116.38 1bw4 s LYS 65 Ca 0.00 0.40 0.04 0.00 0.02 0.00 0.00 55.97 56.43 1bw4 s LYS 65 Cb 0.00 0.22 0.33 0.00 -0.52 0.00 0.00 37.83 37.86 1bw4 s LYS 65 CO 0.00 -1.07 1.09 0.00 -0.92 0.00 0.00 175.35 174.45 1bw4 s LEU 67 N -3.56 4.56 -0.23 0.00 1.43 -1.00 -1.85 118.68 118.03 1bw4 s LEU 67 Ca 0.47 1.44 -0.14 0.00 -1.03 0.00 0.00 54.13 54.87 1bw4 s LEU 67 Cb 0.26 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1bw4 s LEU 67 CO -0.13 0.24 0.32 -0.60 0.23 0.00 0.00 176.35 176.41 1bw4 s ARG 68 N -1.09 4.11 -0.11 1.70 3.52 -0.83 -1.18 118.95 125.08 1bw4 s ARG 68 Ca 0.32 0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.96 1bw4 s ARG 68 Cb -0.21 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.60 1bw4 s ARG 68 CO 0.22 -0.06 -0.15 0.08 -0.81 0.00 0.00 175.30 174.59 1bw4 s VAL 69 N 1.40 2.92 0.04 7.11 1.01 0.90 -1.04 120.40 132.74 1bw4 s VAL 69 Ca 0.15 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1bw4 s VAL 69 Cb -0.15 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1bw4 s VAL 69 CO 0.07 0.54 -0.20 -0.89 0.00 0.00 0.00 175.10 174.63 1bw4 s THR 70 N 0.20 1.57 -0.85 3.92 2.01 -0.70 -0.92 115.64 120.88 1bw4 s THR 70 Ca -0.09 -1.15 -0.01 0.00 0.31 0.00 0.00 61.69 60.75 1bw4 s THR 70 Cb -0.15 -1.37 0.21 0.00 0.01 0.00 0.00 72.50 71.19 1bw4 s THR 70 CO 0.05 0.19 0.72 0.21 -0.69 0.00 0.00 174.62 175.10 1bw4 s ASN 71 N -1.13 5.80 0.34 3.53 2.47 0.70 -2.58 114.94 124.07 1bw4 s ASN 71 Ca 0.07 -3.66 0.13 0.00 0.42 0.00 0.00 52.86 49.82 1bw4 s ASN 71 Cb -0.09 -1.87 1.06 0.00 -1.45 0.00 0.00 41.25 38.90 1bw4 s ASN 71 CO 0.02 -0.19 1.61 -0.65 -3.72 0.00 0.00 177.10 174.17 1bw4 h PRO 72 N 6.04 0.13 -0.86 0.43 0.11 -1.84 0.17 132.00 136.18 1bw4 h PRO 72 Ca 0.14 -0.01 0.36 0.00 0.11 0.00 0.00 66.00 66.60 1bw4 h PRO 72 Cb 0.82 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 31.75 1bw4 h PRO 72 CO 0.83 0.08 0.47 0.00 -0.21 0.00 0.00 178.00 179.17 1bw4 n ALA 73 N -2.50 0.88 0.00 -0.75 0.00 -1.26 -2.84 120.51 114.04 1bw4 n ALA 73 Ca 0.31 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.61 1bw4 n ALA 73 Cb 1.01 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1bw4 n ALA 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bw4 n THR 74 N -4.91 0.00 0.00 0.00 -2.24 0.21 -5.04 114.28 102.30 1bw4 n THR 74 Ca 0.32 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 1bw4 n THR 74 Cb 1.10 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1bw4 n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw4 n GLY 75 N 2.75 0.90 3.77 3.38 0.00 0.35 -5.10 105.19 111.25 1bw4 n GLY 75 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1bw4 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw4 s ALA 76 N -2.00 3.15 0.02 4.61 0.00 -1.25 -4.72 121.76 121.58 1bw4 s ALA 76 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1bw4 s ALA 76 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1bw4 s ALA 76 CO 0.00 -0.44 -0.03 1.14 0.00 0.00 0.00 175.76 176.43 1bw4 s GLN 77 N -2.28 0.33 0.18 0.00 -2.07 -1.26 -0.21 119.66 114.34 1bw4 s GLN 77 Ca 0.56 -0.63 -0.11 0.00 -1.82 0.00 0.00 55.36 53.37 1bw4 s GLN 77 Cb -0.29 0.08 -0.00 0.00 -1.09 0.00 0.00 33.01 31.71 1bw4 s GLN 77 CO 0.36 -0.04 0.34 -1.50 -1.32 0.00 0.00 175.29 173.13 1bw4 s ILE 78 N -1.50 0.05 0.13 3.63 1.10 -0.10 -4.97 121.20 119.54 1bw4 s ILE 78 Ca -0.15 -1.30 0.06 0.00 -0.51 0.00 0.00 60.65 58.75 1bw4 s ILE 78 Cb -0.10 -1.84 -0.04 0.00 0.15 0.00 0.00 42.46 40.63 1bw4 s ILE 78 CO -0.01 -0.23 -0.15 -0.89 -2.11 0.00 0.00 174.94 171.55 1bw4 s THR 79 N -3.96 1.42 0.06 4.00 2.01 -1.26 -0.07 115.64 117.84 1bw4 s THR 79 Ca 0.17 -1.78 0.07 0.00 0.31 0.00 0.00 61.69 60.45 1bw4 s THR 79 Cb 0.02 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 1bw4 s THR 79 CO 0.01 -0.42 -0.19 0.00 -0.69 0.00 0.00 174.62 173.32 1bw4 s ALA 80 N -2.21 1.64 -0.31 7.40 0.00 -0.32 -4.95 121.76 123.02 1bw4 s ALA 80 Ca 0.11 -1.06 -0.23 0.00 0.00 0.00 0.00 51.96 50.79 1bw4 s ALA 80 Cb -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 1bw4 s ALA 80 CO 0.04 0.35 0.75 1.03 0.00 0.00 0.00 175.76 177.92 1bw4 s ARG 81 N -1.36 3.94 -0.20 0.00 1.81 -1.24 -2.38 118.95 119.52 1bw4 s ARG 81 Ca 0.06 0.51 -0.36 0.00 -1.72 0.00 0.00 55.73 54.22 1bw4 s ARG 81 Cb -0.09 -3.73 -0.12 0.00 -0.45 0.00 0.00 34.95 30.56 1bw4 s ARG 81 CO 0.02 -0.65 1.94 -0.89 -0.68 0.00 0.00 175.30 175.04 1bw4 n ILE 82 N 5.50 0.42 0.03 1.52 5.41 0.34 0.16 119.36 132.73 1bw4 n ILE 82 Ca 0.02 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1bw4 n ILE 82 Cb 0.48 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 1bw4 n ILE 82 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1bw4 n VAL 83 N 5.61 0.00 -3.68 1.39 3.14 -0.76 -4.79 118.33 119.24 1bw4 n VAL 83 Ca 0.28 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.66 1bw4 n VAL 83 Cb 0.25 -0.46 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 1bw4 n VAL 83 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1bw4 n ASP 84 N -2.68 0.68 -4.49 6.55 8.00 -1.19 -2.83 116.55 120.60 1bw4 n ASP 84 Ca 0.00 -0.68 -0.23 0.00 0.71 0.00 0.00 54.79 54.59 1bw4 n ASP 84 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1bw4 n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw4 s GLN 85 N -1.05 1.69 0.25 -1.24 -2.07 -1.26 0.14 119.66 116.12 1bw4 s GLN 85 Ca 0.00 -1.90 0.08 0.00 -1.82 0.00 0.00 55.36 51.72 1bw4 s GLN 85 Cb 0.00 -1.24 -0.05 0.00 -1.09 0.00 0.00 33.01 30.63 1bw4 s GLN 85 CO 0.00 -0.03 -0.11 0.00 -1.32 0.00 0.00 175.29 173.84 1bw4 n ALA 87 N -0.51 1.88 -2.83 0.00 0.00 -1.26 -4.85 120.51 112.94 1bw4 n ALA 87 Ca -0.06 -0.70 -0.20 0.00 0.00 0.00 0.00 53.44 52.47 1bw4 n ALA 87 Cb 0.62 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw4 s ASN 88 N -5.66 6.22 -1.15 0.00 2.20 -1.26 -4.99 114.94 110.30 1bw4 s ASN 88 Ca -0.05 -0.00 -0.11 0.00 -0.94 0.00 0.00 52.86 51.76 1bw4 s ASN 88 Cb 0.09 -1.68 -0.07 0.00 -2.00 0.00 0.00 41.25 37.59 1bw4 s ASN 88 CO 0.82 -0.17 2.31 0.61 -2.94 0.00 0.00 177.10 177.73 1bw4 n GLY 89 N -1.48 3.50 0.00 0.45 0.00 -1.26 -4.54 105.19 101.86 1bw4 n GLY 89 Ca -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1bw4 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw4 n GLY 90 N 3.91 -0.47 0.00 -0.02 0.00 -1.24 -4.54 105.19 102.84 1bw4 n GLY 90 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1bw4 n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bw4 n LEU 91 N -2.24 0.00 0.00 0.99 4.77 -0.77 -2.93 117.00 116.82 1bw4 n LEU 91 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1bw4 n LEU 91 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1bw4 n LEU 91 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.16 1bw4 n ASP 92 N 0.00 0.00 -4.83 -1.43 5.68 -1.17 -2.50 116.55 112.30 1bw4 n ASP 92 Ca 0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 53.97 1bw4 n ASP 92 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1bw4 n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1bw4 s LEU 93 N 0.00 3.53 0.00 -2.12 1.43 -1.17 -2.03 118.68 118.32 1bw4 s LEU 93 Ca 0.00 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1bw4 s LEU 93 Cb 0.00 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.71 1bw4 s LEU 93 CO 0.00 -0.83 0.00 -0.67 0.23 0.00 0.00 176.35 175.08 1bw4 n ASP 94 N -1.88 0.00 -0.70 2.29 -0.08 -0.63 -3.65 116.55 111.89 1bw4 n ASP 94 Ca 0.07 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.43 1bw4 n ASP 94 Cb 0.54 0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.24 1bw4 n ASP 94 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1bw4 n TRP 95 N 0.00 0.43 1.45 -0.67 -0.00 -1.26 -4.08 117.44 113.31 1bw4 n TRP 95 Ca 0.00 -0.21 0.15 0.00 -0.00 0.00 0.00 57.50 57.43 1bw4 n TRP 95 Cb 0.00 0.00 0.76 0.00 -0.00 0.00 0.00 31.31 32.07 1bw4 n TRP 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1bw4 n ASP 96 N 0.61 0.00 -0.07 -0.67 2.03 -1.26 -3.23 116.55 113.96 1bw4 n ASP 96 Ca 0.15 -0.21 -0.05 0.00 0.52 0.00 0.00 54.79 55.20 1bw4 n ASP 96 Cb 0.35 -0.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.47 1bw4 n ASP 96 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bw4 h THR 97 N 0.00 0.04 0.00 5.18 1.35 -1.88 -3.44 112.91 114.16 1bw4 h THR 97 Ca 0.00 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1bw4 h THR 97 Cb 0.26 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.78 1bw4 h THR 97 CO 0.00 0.01 0.00 0.52 -0.25 0.00 0.00 175.52 175.80 1bw4 n VAL 98 N -4.61 0.00 -0.08 6.82 0.31 -1.25 -4.66 118.33 114.86 1bw4 n VAL 98 Ca -0.08 0.32 -0.07 0.00 -0.01 0.00 0.00 64.34 64.50 1bw4 n VAL 98 Cb 0.28 -1.14 -0.05 0.00 -0.91 0.00 0.00 33.84 32.02 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1bw4 h PHE 99 N 0.00 -0.83 -1.56 3.52 3.57 -1.92 -2.20 116.94 117.53 1bw4 h PHE 99 Ca 0.00 0.04 0.47 0.00 3.53 0.00 0.00 57.97 62.01 1bw4 h PHE 99 Cb 0.00 0.39 -0.08 0.00 2.79 0.00 0.00 35.95 39.05 1bw4 h PHE 99 CO 0.00 -0.23 1.10 0.25 -2.23 0.00 0.00 178.31 177.20 1bw4 n THR 100 N -3.99 -0.05 -0.06 4.41 -2.24 -1.20 -1.51 114.28 109.64 1bw4 n THR 100 Ca -0.01 1.31 -0.03 0.00 -2.27 0.00 0.00 64.05 63.04 1bw4 n THR 100 Cb 0.16 -2.17 -0.01 0.00 -2.10 0.00 0.00 70.33 66.21 1bw4 n THR 100 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bw4 h LYS 101 N 0.00 0.00 -0.17 -0.78 1.57 -1.68 -3.40 116.57 112.11 1bw4 h LYS 101 Ca 0.78 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.61 1bw4 h LYS 101 Cb 3.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 35.31 1bw4 h LYS 101 CO -0.09 0.00 0.16 -0.84 -0.57 0.00 0.00 179.45 178.11 1bw4 h ILE 102 N -0.84 0.61 -1.32 1.86 3.07 -0.97 -3.00 117.51 116.92 1bw4 h ILE 102 Ca 0.00 0.00 -0.69 0.00 1.55 0.00 0.00 64.86 65.72 1bw4 h ILE 102 Cb 0.37 0.88 -0.17 0.00 -0.27 0.00 0.00 36.82 37.63 1bw4 h ILE 102 CO 0.00 0.00 1.62 0.47 -1.05 0.00 0.00 178.15 179.19 1bw4 n ASP 103 N -4.03 7.51 0.00 2.16 8.00 -0.57 -4.73 116.55 124.89 1bw4 n ASP 103 Ca 0.01 -3.27 0.00 0.00 0.71 0.00 0.00 54.79 52.24 1bw4 n ASP 103 Cb 0.29 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1bw4 n ASP 103 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bw4 n THR 104 N 1.14 0.00 -0.08 -3.53 -2.24 -1.14 -0.96 114.28 107.47 1bw4 n THR 104 Ca 0.56 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 62.28 1bw4 n THR 104 Cb 0.33 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 1bw4 n THR 104 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1bw4 n ASN 105 N -3.49 1.85 0.00 3.42 0.23 -1.26 -5.07 115.26 110.95 1bw4 n ASN 105 Ca 0.00 0.53 0.00 0.00 -0.53 0.00 0.00 54.58 54.58 1bw4 n ASN 105 Cb 0.00 -0.83 0.00 0.00 -2.08 0.00 0.00 39.78 36.87 1bw4 n ASN 105 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bw4 n GLY 106 N 1.56 1.80 0.15 4.83 0.00 -0.14 -5.01 105.19 108.38 1bw4 n GLY 106 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 1bw4 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bw4 n ILE 107 N -1.17 -0.24 -0.48 -0.61 -0.00 -1.26 0.44 119.36 116.04 1bw4 n ILE 107 Ca 0.00 1.02 0.40 0.00 -0.00 0.00 0.00 62.75 64.17 1bw4 n ILE 107 Cb 0.00 -1.27 0.67 0.00 -0.00 0.00 0.00 39.64 39.04 1bw4 n ILE 107 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1bw4 n GLY 108 N -1.09 -0.82 0.50 7.39 0.00 -1.26 -0.22 105.19 109.69 1bw4 n GLY 108 Ca 0.01 0.73 0.32 0.00 0.00 0.00 0.00 46.02 47.07 1bw4 n GLY 108 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1bw4 h TYR 109 N 0.00 0.00 -0.31 1.61 5.03 -0.34 0.45 116.97 123.41 1bw4 h TYR 109 Ca 0.86 0.00 0.00 0.00 2.58 0.00 0.00 58.73 62.17 1bw4 h TYR 109 Cb 2.83 0.00 0.00 0.00 1.55 0.00 0.00 36.73 41.11 1bw4 h TYR 109 CO -0.01 0.00 0.00 1.04 -1.32 0.00 0.00 178.16 177.87 1bw4 n GLN 110 N -4.13 2.30 -0.11 1.82 6.02 0.70 -4.23 117.38 119.75 1bw4 n GLN 110 Ca 0.22 -2.11 -0.15 0.00 -0.01 0.00 0.00 57.00 54.95 1bw4 n GLN 110 Cb 1.12 -1.45 -0.11 0.00 1.02 0.00 0.00 30.24 30.82 1bw4 n GLN 110 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1bw4 n GLN 111 N 1.29 0.60 0.00 -1.09 -0.06 0.14 -5.03 117.38 113.23 1bw4 n GLN 111 Ca 0.17 0.12 0.00 0.00 -2.00 0.00 0.00 57.00 55.28 1bw4 n GLN 111 Cb 0.55 -1.45 0.00 0.00 -4.06 0.00 0.00 30.24 25.29 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bw4 n GLY 112 N 2.40 2.19 3.49 1.69 0.00 -0.05 -5.08 105.19 109.83 1bw4 n GLY 112 Ca -0.39 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 1bw4 n GLY 112 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bw4 s HIS 113 N -2.23 0.01 0.23 1.61 -3.43 -1.25 -3.30 115.29 106.93 1bw4 s HIS 113 Ca 0.00 -0.36 -0.01 0.00 -0.80 0.00 0.00 55.06 53.89 1bw4 s HIS 113 Cb 0.00 0.30 -0.04 0.00 -1.43 0.00 0.00 32.58 31.41 1bw4 s HIS 113 CO 0.00 -0.88 0.18 -1.17 -2.00 0.00 0.00 174.74 170.87 1bw4 s LEU 114 N -2.90 1.18 -0.37 5.38 2.96 0.24 -4.81 118.68 120.36 1bw4 s LEU 114 Ca 0.11 -1.42 -0.07 0.00 -0.22 0.00 0.00 54.13 52.54 1bw4 s LEU 114 Cb -0.00 0.53 0.06 0.00 0.50 0.00 0.00 46.19 47.27 1bw4 s LEU 114 CO -0.02 -0.90 0.16 0.21 -1.32 0.00 0.00 176.35 174.48 1bw4 s ASN 115 N -3.18 5.38 0.34 3.68 3.84 -1.26 -0.31 114.94 123.42 1bw4 s ASN 115 Ca 0.38 -1.36 0.06 0.00 0.21 0.00 0.00 52.86 52.14 1bw4 s ASN 115 Cb 0.06 -1.89 -0.03 0.00 -0.55 0.00 0.00 41.25 38.84 1bw4 s ASN 115 CO 0.14 -0.41 0.23 0.68 -2.79 0.00 0.00 177.10 174.95 1bw4 s VAL 116 N 1.37 0.16 0.02 -5.21 -7.23 -1.12 -4.61 120.40 103.79 1bw4 s VAL 116 Ca 0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1bw4 s VAL 116 Cb -0.21 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 1bw4 s VAL 116 CO 0.02 0.00 -0.12 0.20 -0.31 0.00 0.00 175.10 174.89 1bw4 s ASN 117 N -3.42 1.41 -0.04 4.85 0.01 -1.07 -2.35 114.94 114.33 1bw4 s ASN 117 Ca 0.36 -0.38 0.01 0.00 -0.71 0.00 0.00 52.86 52.14 1bw4 s ASN 117 Cb 0.03 -0.10 0.02 0.00 0.41 0.00 0.00 41.25 41.61 1bw4 s ASN 117 CO 0.23 0.03 -0.04 -0.72 -1.51 0.00 0.00 177.10 175.10 1bw4 s TYR 118 N -0.72 0.62 -0.07 2.20 -0.85 -0.94 -1.72 117.35 115.88 1bw4 s TYR 118 Ca 0.01 -0.14 0.04 0.00 -0.52 0.00 0.00 57.07 56.46 1bw4 s TYR 118 Cb -0.07 -0.57 -0.02 0.00 0.38 0.00 0.00 41.96 41.69 1bw4 s TYR 118 CO 0.01 -0.15 -0.20 -0.65 -1.52 0.00 0.00 175.55 173.03 1bw4 s GLN 119 N 0.81 2.72 0.01 -3.49 -1.52 -0.21 -2.82 119.66 115.16 1bw4 s GLN 119 Ca -0.10 -0.81 -0.30 0.00 -1.95 0.00 0.00 55.36 52.20 1bw4 s GLN 119 Cb -0.13 -2.32 -0.08 0.00 -0.22 0.00 0.00 33.01 30.26 1bw4 s GLN 119 CO -0.00 0.40 1.82 -0.06 -0.25 0.00 0.00 175.29 177.20 1bw4 s PHE 120 N -0.19 1.68 0.06 0.91 0.40 -1.12 -1.96 117.98 117.75 1bw4 s PHE 120 Ca -0.02 -0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1bw4 s PHE 120 Cb -0.13 -4.10 -0.03 0.00 0.51 0.00 0.00 43.02 39.27 1bw4 s PHE 120 CO 0.03 -4.75 -0.05 0.08 0.70 0.00 0.00 175.22 171.23 1bw4 s VAL 121 N 4.08 0.41 0.07 -0.44 1.01 -0.77 -4.93 120.40 119.83 1bw4 s VAL 121 Ca 0.81 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 1bw4 s VAL 121 Cb -0.39 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 1bw4 s VAL 121 CO 0.36 -0.71 0.54 -1.81 0.00 0.00 0.00 175.10 173.48 1bw4 s ASP 122 N -2.34 7.00 -0.16 3.32 1.11 -1.24 -2.60 116.67 121.75 1bw4 s ASP 122 Ca -0.00 1.19 -0.12 0.00 0.18 0.00 0.00 52.55 53.80 1bw4 s ASP 122 Cb -0.01 -2.33 -0.07 0.00 1.07 0.00 0.00 42.92 41.57 1bw4 s ASP 122 CO -0.04 0.27 -0.07 0.00 1.18 0.00 0.00 175.17 176.50 1bw4 n ARG 124 N -4.57 -1.54 0.00 0.00 1.74 -1.26 -5.17 116.66 105.87 1bw4 n ARG 124 Ca -0.14 1.27 0.14 0.00 -0.77 0.00 0.00 57.85 58.35 1bw4 n ARG 124 Cb 0.38 -5.62 0.56 0.00 -1.02 0.00 0.00 32.46 26.76 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64