#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 2.03 -0.16 3.49 -0.21 -1.26 -2.01 119.66 121.55 1bw4 s GLN 2 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 54.93 1bw4 s GLN 2 Cb 0.00 -1.91 0.03 0.00 1.00 0.00 0.00 33.01 32.12 1bw4 s GLN 2 CO 0.00 -0.23 -0.13 0.00 -2.12 0.00 0.00 175.29 172.80 1bw4 s ALA 3 N 1.52 1.87 0.51 6.09 0.00 -0.72 -5.03 121.76 125.99 1bw4 s ALA 3 Ca 0.04 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1bw4 s ALA 3 Cb -0.13 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1bw4 s ALA 3 CO -0.09 -0.46 0.21 0.54 0.00 0.00 0.00 175.76 175.96 1bw4 s ASN 4 N 1.48 4.40 -0.87 0.00 4.22 -1.26 -1.31 114.94 121.60 1bw4 s ASN 4 Ca 0.04 -1.38 -0.02 0.00 -2.14 0.00 0.00 52.86 49.37 1bw4 s ASN 4 Cb -0.13 0.30 0.02 0.00 1.28 0.00 0.00 41.25 42.71 1bw4 s ASN 4 CO -0.10 -0.91 0.04 0.47 -2.04 0.00 0.00 177.10 174.56 1bw4 n ASP 5 N -1.48 0.33 -4.66 3.54 9.92 -1.24 -4.85 116.55 118.11 1bw4 n ASP 5 Ca -0.08 -0.70 -0.39 0.00 -0.53 0.00 0.00 54.79 53.09 1bw4 n ASP 5 Cb 0.65 -0.87 -0.07 0.00 -0.64 0.00 0.00 41.12 40.19 1bw4 n ASP 5 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1bw4 s VAL 6 N -3.57 5.14 -0.95 2.53 1.01 -0.50 -4.89 120.40 119.17 1bw4 s VAL 6 Ca 0.06 0.86 -0.24 0.00 0.00 0.00 0.00 61.98 62.66 1bw4 s VAL 6 Cb -0.03 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1bw4 s VAL 6 CO 0.55 0.20 1.57 -0.13 0.00 0.00 0.00 175.10 177.29 1bw4 s ARG 7 N 1.53 3.27 -0.20 2.72 0.52 -1.26 -1.02 118.95 124.50 1bw4 s ARG 7 Ca 0.22 -0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 54.56 1bw4 s ARG 7 Cb -0.15 -5.13 -0.05 0.00 0.52 0.00 0.00 34.95 30.14 1bw4 s ARG 7 CO 0.09 -2.50 0.18 0.00 0.02 0.00 0.00 175.30 173.09 1bw4 s ALA 8 N 6.42 3.65 0.87 2.13 0.00 0.29 -4.90 121.76 130.22 1bw4 s ALA 8 Ca 0.51 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.69 1bw4 s ALA 8 Cb -0.03 -2.26 0.17 0.00 0.00 0.00 0.00 23.12 21.00 1bw4 s ALA 8 CO -0.04 0.06 1.20 -0.08 0.00 0.00 0.00 175.76 176.90 1bw4 s THR 9 N 0.56 2.05 -0.47 0.00 -1.32 -1.26 -0.56 115.64 114.63 1bw4 s THR 9 Ca 0.10 -0.22 0.06 0.00 -1.21 0.00 0.00 61.69 60.43 1bw4 s THR 9 Cb -0.12 -2.84 0.22 0.00 -1.51 0.00 0.00 72.50 68.26 1bw4 s THR 9 CO 0.01 0.00 0.51 0.00 -2.21 0.00 0.00 174.62 172.93 1bw4 n TYR 10 N -3.41 0.56 -4.22 9.09 4.11 -1.25 -4.69 117.16 117.34 1bw4 n TYR 10 Ca 0.15 -3.68 -0.31 0.00 -0.00 0.00 0.00 57.90 54.06 1bw4 n TYR 10 Cb 0.60 -0.26 -0.09 0.00 -0.00 0.00 0.00 39.34 39.60 1bw4 n TYR 10 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bw4 s HIS 11 N -1.12 3.02 0.15 -3.48 2.46 -1.16 -4.92 115.29 110.24 1bw4 s HIS 11 Ca 0.34 0.02 -0.23 0.00 0.47 0.00 0.00 55.06 55.66 1bw4 s HIS 11 Cb 0.11 -1.60 0.07 0.00 -0.13 0.00 0.00 32.58 31.03 1bw4 s HIS 11 CO -0.12 0.46 0.60 1.52 -2.47 0.00 0.00 174.74 174.73 1bw4 s TYR 12 N -1.19 -0.54 0.25 3.88 -0.85 -1.26 -0.77 117.35 116.88 1bw4 s TYR 12 Ca 0.22 0.35 -0.30 0.00 -0.52 0.00 0.00 57.07 56.82 1bw4 s TYR 12 Cb -0.12 0.56 -0.09 0.00 0.38 0.00 0.00 41.96 42.69 1bw4 s TYR 12 CO 0.14 -0.84 1.31 0.71 -1.52 0.00 0.00 175.55 175.35 1bw4 s TYR 13 N -3.69 3.19 0.00 -3.49 1.51 0.31 -4.82 117.35 110.35 1bw4 s TYR 13 Ca 0.01 1.29 0.00 0.00 -1.01 0.00 0.00 57.07 57.36 1bw4 s TYR 13 Cb -0.01 -3.63 0.00 0.00 -0.11 0.00 0.00 41.96 38.21 1bw4 s TYR 13 CO -0.12 -1.87 0.00 0.54 -1.11 0.00 0.00 175.55 172.98 1bw4 n ARG 14 N 1.89 0.00 -0.11 -0.62 3.00 -1.26 -3.16 116.66 116.40 1bw4 n ARG 14 Ca 0.04 0.00 -0.20 0.00 -0.01 0.00 0.00 57.85 57.68 1bw4 n ARG 14 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.80 1bw4 n ARG 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1bw4 n PRO 15 N -3.15 0.55 -0.19 5.56 -0.05 -1.26 -4.39 135.00 132.07 1bw4 n PRO 15 Ca 0.00 0.47 0.18 0.00 -0.05 0.00 0.00 63.50 64.10 1bw4 n PRO 15 Cb 0.00 -1.66 0.32 0.00 -0.05 0.00 0.00 33.50 32.11 1bw4 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bw4 n ALA 16 N -3.72 0.59 -0.09 0.55 0.00 -1.26 -3.04 120.51 113.54 1bw4 n ALA 16 Ca -0.32 0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.63 1bw4 n ALA 16 Cb 0.64 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 19.60 1bw4 n ALA 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bw4 n GLN 17 N -3.96 -0.02 -2.91 0.00 0.00 -1.26 0.22 117.38 109.46 1bw4 n GLN 17 Ca 0.20 0.40 -0.35 0.00 -0.00 0.00 0.00 57.00 57.25 1bw4 n GLN 17 Cb 0.71 -0.59 -0.02 0.00 0.00 0.00 0.00 30.24 30.35 1bw4 n GLN 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1bw4 n ASN 18 N -4.41 5.75 -3.15 1.69 2.85 -1.17 -4.79 115.26 112.03 1bw4 n ASN 18 Ca 0.04 -3.62 -0.23 0.00 -0.11 0.00 0.00 54.58 50.67 1bw4 n ASN 18 Cb 0.13 -0.91 -0.04 0.00 1.24 0.00 0.00 39.78 40.20 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 0.20 -1.07 -3.27 1.20 4.05 0.61 -0.57 115.26 116.40 1bw4 n ASN 19 Ca 0.36 -0.60 -0.17 0.00 0.45 0.00 0.00 54.58 54.62 1bw4 n ASN 19 Cb 0.34 -0.95 -0.05 0.00 1.23 0.00 0.00 39.78 40.35 1bw4 n ASN 19 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 177.26 171.54 1bw4 n TRP 20 N -2.56 -0.61 -1.56 1.20 2.14 -0.81 -4.75 117.44 110.50 1bw4 n TRP 20 Ca 0.06 0.31 -0.18 0.00 2.07 0.00 0.00 57.50 59.76 1bw4 n TRP 20 Cb 0.29 -1.24 -0.07 0.00 -0.81 0.00 0.00 31.31 29.49 1bw4 n TRP 20 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1bw4 n ASP 21 N -1.13 1.84 0.00 -0.67 -0.08 0.26 -4.72 116.55 112.06 1bw4 n ASP 21 Ca -0.09 -1.26 0.00 0.00 -1.51 0.00 0.00 54.79 51.93 1bw4 n ASP 21 Cb 0.31 -1.62 0.00 0.00 2.34 0.00 0.00 41.12 42.14 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 17.87 0.00 -1.09 -2.67 4.77 -1.26 0.14 117.00 134.76 1bw4 n LEU 22 Ca 0.45 0.14 0.08 0.00 -0.03 0.00 0.00 56.01 56.66 1bw4 n LEU 22 Cb 0.45 -0.14 0.26 0.00 -2.33 0.00 0.00 43.42 41.66 1bw4 n LEU 22 CO 0.59 -0.14 0.73 0.61 -1.33 0.00 0.00 177.39 177.84 1bw4 n GLY 23 N -1.05 3.03 3.75 -0.72 0.00 -1.26 -2.12 105.19 106.82 1bw4 n GLY 23 Ca 0.00 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.72 3.34 0.08 4.61 0.00 0.12 -4.85 121.76 123.34 1bw4 s ALA 24 Ca 0.39 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 1bw4 s ALA 24 Cb 0.26 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1bw4 s ALA 24 CO 0.19 0.21 0.66 -0.35 0.00 0.00 0.00 175.76 176.47 1bw4 n PRO 25 N 1.48 -0.17 -0.38 0.00 -0.04 -1.26 -0.31 135.00 134.33 1bw4 n PRO 25 Ca -0.02 0.65 0.04 0.00 -0.04 0.00 0.00 63.50 64.13 1bw4 n PRO 25 Cb 0.47 -0.96 0.19 0.00 -0.04 0.00 0.00 33.50 33.16 1bw4 n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 n ALA 26 N -3.70 2.98 -0.11 0.55 0.00 -1.26 -4.59 120.51 114.38 1bw4 n ALA 26 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1bw4 n ALA 26 Cb 0.13 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.40 0.00 -3.58 0.00 0.31 0.58 -5.02 118.33 111.02 1bw4 n VAL 27 Ca 0.14 0.40 -0.18 0.00 -0.01 0.00 0.00 64.34 64.68 1bw4 n VAL 27 Cb 0.61 -1.39 -0.03 0.00 -0.91 0.00 0.00 33.84 32.12 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 -2.39 -0.37 -4.89 4.52 3.41 -0.90 -4.94 113.62 108.06 1bw4 n SER 28 Ca 0.00 -0.64 -0.29 0.00 -0.26 0.00 0.00 58.87 57.67 1bw4 n SER 28 Cb 0.00 -0.79 0.09 0.00 -0.26 0.00 0.00 64.21 63.25 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 -3.89 2.60 0.03 7.33 0.00 -1.26 -4.91 121.76 121.67 1bw4 s ALA 29 Ca 0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 1bw4 s ALA 29 Cb -0.05 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.11 1bw4 s ALA 29 CO 0.49 -1.65 0.21 0.98 0.00 0.00 0.00 175.76 175.79 1bw4 n TYR 30 N -3.31 -0.02 0.47 0.00 4.19 -1.26 -0.61 117.16 116.62 1bw4 n TYR 30 Ca 0.08 0.17 0.05 0.00 3.31 0.00 0.00 57.90 61.51 1bw4 n TYR 30 Cb 0.60 -0.54 -0.00 0.00 0.49 0.00 0.00 39.34 39.90 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 1.86 2.81 0.00 0.00 0.00 -1.20 0.42 119.26 123.15 1bw4 h ALA 32 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bw4 h ALA 32 Cb 0.36 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bw4 h ALA 32 CO 0.00 -1.47 -0.04 1.15 0.00 0.00 0.00 179.25 178.89 1bw4 h THR 33 N 0.00 0.00 0.00 0.00 2.02 -1.83 -2.71 112.91 110.38 1bw4 h THR 33 Ca 0.45 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1bw4 h THR 33 Cb 2.41 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 70.49 1bw4 h THR 33 CO -0.00 0.00 -1.29 0.79 0.37 0.00 0.00 175.52 175.38 1bw4 n TRP 34 N -2.62 0.00 -0.06 3.16 8.01 0.12 -4.83 117.44 121.22 1bw4 n TRP 34 Ca 0.05 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.22 1bw4 n TRP 34 Cb 0.47 -0.21 -0.15 0.00 -2.01 0.00 0.00 31.31 29.42 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 -2.24 0.46 -0.32 -0.99 8.00 0.45 -4.59 116.55 117.33 1bw4 n ASP 35 Ca -0.07 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.53 1bw4 n ASP 35 Cb 0.63 1.33 0.22 0.00 -0.02 0.00 0.00 41.12 43.28 1bw4 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw4 h ALA 36 N 1.26 0.95 0.00 2.24 0.00 -1.65 0.31 119.26 122.37 1bw4 h ALA 36 Ca -0.30 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bw4 h ALA 36 Cb 1.65 0.57 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1bw4 h ALA 36 CO 0.02 -0.49 0.00 -1.13 0.00 0.00 0.00 179.25 177.65 1bw4 n SER 37 N -5.47 0.36 -4.76 0.00 3.41 -1.26 -4.77 113.62 101.12 1bw4 n SER 37 Ca 0.19 0.66 -0.41 0.00 -0.26 0.00 0.00 58.87 59.04 1bw4 n SER 37 Cb 0.62 -0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 1bw4 n SER 37 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bw4 n LYS 38 N -1.98 2.71 -1.46 4.33 4.76 0.11 -4.90 118.16 121.73 1bw4 n LYS 38 Ca -0.01 0.96 -0.38 0.00 -2.87 0.00 0.00 58.31 56.01 1bw4 n LYS 38 Cb 0.04 -2.72 0.04 0.00 -1.84 0.00 0.00 35.03 30.55 1bw4 n LYS 38 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1bw4 n PRO 39 N 1.28 0.51 -0.11 1.97 -0.04 -1.26 -4.76 135.00 132.59 1bw4 n PRO 39 Ca 0.05 0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.65 1bw4 n PRO 39 Cb 0.38 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.21 -0.64 -0.40 1.53 3.38 -1.93 -2.86 115.31 114.60 1bw4 h LEU 40 Ca -0.46 0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1bw4 h LEU 40 Cb 1.39 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 42.44 1bw4 h LEU 40 CO 0.47 -0.22 -0.22 -1.20 0.09 0.00 0.00 178.44 177.35 1bw4 n SER 41 N -5.37 -0.40 0.04 -0.43 7.64 -1.26 -0.58 113.62 113.27 1bw4 n SER 41 Ca 0.02 0.71 -0.12 0.00 1.01 0.00 0.00 58.87 60.49 1bw4 n SER 41 Cb 0.28 -0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.29 1bw4 n SER 41 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1bw4 h TRP 42 N 0.00 -0.17 -0.87 1.43 7.01 -1.86 0.32 115.95 121.82 1bw4 h TRP 42 Ca 0.08 -0.00 0.27 0.00 2.11 0.00 0.00 58.89 61.34 1bw4 h TRP 42 Cb 0.18 0.05 -0.16 0.00 -2.10 0.00 0.00 29.16 27.13 1bw4 h TRP 42 CO -0.40 0.30 0.11 0.54 -2.79 0.00 0.00 178.44 176.20 1bw4 n ARG 43 N -4.91 -0.07 -0.10 2.65 1.74 0.26 -1.56 116.66 114.67 1bw4 n ARG 43 Ca -0.08 1.28 -0.23 0.00 -0.77 0.00 0.00 57.85 58.05 1bw4 n ARG 43 Cb 0.27 -2.09 -0.12 0.00 -1.02 0.00 0.00 32.46 29.50 1bw4 n ARG 43 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1bw4 n SER 44 N -5.20 1.99 -0.34 0.55 3.41 -0.40 -4.44 113.62 109.20 1bw4 n SER 44 Ca 0.23 0.15 0.23 0.00 -0.26 0.00 0.00 58.87 59.22 1bw4 n SER 44 Cb 0.77 -0.70 0.46 0.00 -0.26 0.00 0.00 64.21 64.48 1bw4 n SER 44 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1bw4 h LYS 45 N -0.40 0.35 0.00 4.33 3.64 0.32 -3.41 116.57 121.39 1bw4 h LYS 45 Ca -0.55 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1bw4 h LYS 45 Cb 1.76 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 1bw4 h LYS 45 CO -0.16 0.23 0.00 0.66 -2.27 0.00 0.00 179.45 177.91 1bw4 n TYR 46 N -5.03 -0.45 0.00 1.91 4.01 -0.60 -5.06 117.16 111.93 1bw4 n TYR 46 Ca 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.05 1bw4 n TYR 46 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 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 5.00 1.42 0.32 2.72 0.00 -1.26 -4.89 105.19 108.51 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 -2.67 0.00 0.00 0.00 173.32 170.65 1bw4 n TRP 48 N -0.23 0.00 -2.72 1.61 4.27 -1.20 -4.66 117.44 114.51 1bw4 n TRP 48 Ca 0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 1bw4 n TRP 48 Cb 0.00 -0.65 -0.05 0.00 -1.36 0.00 0.00 31.31 29.25 1bw4 n TRP 48 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1bw4 s THR 49 N -1.65 4.29 0.61 -1.67 -4.23 0.39 -4.66 115.64 108.73 1bw4 s THR 49 Ca 0.00 2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 62.47 1bw4 s THR 49 Cb 0.00 -4.30 -0.00 0.00 1.34 0.00 0.00 72.50 69.54 1bw4 s THR 49 CO 0.00 0.38 0.96 0.00 -0.54 0.00 0.00 174.62 175.42 1bw4 s ALA 50 N -0.44 3.17 0.01 3.99 0.00 -1.25 -0.40 121.76 126.83 1bw4 s ALA 50 Ca 0.45 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 1bw4 s ALA 50 Cb -0.25 -2.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 1bw4 s ALA 50 CO 0.31 -0.83 0.04 -0.59 0.00 0.00 0.00 175.76 174.69 1bw4 s PHE 51 N -3.09 0.14 -0.47 0.00 -0.12 0.30 -3.05 117.98 111.69 1bw4 s PHE 51 Ca 0.54 -0.29 0.06 0.00 -0.05 0.00 0.00 56.93 57.20 1bw4 s PHE 51 Cb -0.11 -0.11 0.28 0.00 -0.63 0.00 0.00 43.02 42.46 1bw4 s PHE 51 CO 0.48 -0.19 1.01 0.00 -0.05 0.00 0.00 175.22 176.47 1bw4 s GLY 53 N -1.47 2.57 0.00 0.00 0.00 -1.26 -4.54 107.32 102.62 1bw4 s GLY 53 Ca 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1bw4 s GLY 53 CO -0.14 -1.70 0.62 -1.55 0.00 0.00 0.00 173.10 170.33 1bw4 n PRO 54 N -0.83 0.00 -2.61 2.90 -0.04 -1.26 -4.15 135.00 129.01 1bw4 n PRO 54 Ca -0.01 0.23 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 1bw4 n PRO 54 Cb 0.64 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1bw4 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw4 s ALA 55 N -2.61 3.34 0.38 0.55 0.00 -1.26 -4.15 121.76 118.01 1bw4 s ALA 55 Ca 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 49.05 1bw4 s ALA 55 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.53 1bw4 s ALA 55 CO 0.00 -3.27 0.00 0.41 0.00 0.00 0.00 175.76 172.90 1bw4 n GLY 56 N 5.38 -1.80 3.55 0.00 0.00 -1.26 -4.85 105.19 106.21 1bw4 n GLY 56 Ca 0.47 0.40 -0.40 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.82 3.06 -0.88 1.61 0.04 -1.26 -4.89 135.00 130.85 1bw4 s PRO 57 Ca 0.00 0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.06 1bw4 s PRO 57 Cb 0.00 -4.23 0.33 0.00 0.04 0.00 0.00 34.50 30.64 1bw4 s PRO 57 CO 0.00 -2.28 1.59 -2.13 0.04 0.00 0.00 177.00 174.22 1bw4 n ARG 58 N 9.28 4.65 0.00 4.56 0.63 -1.26 -5.03 116.66 129.49 1bw4 n ARG 58 Ca 0.08 -4.65 0.00 0.00 -0.92 0.00 0.00 57.85 52.36 1bw4 n ARG 58 Cb 0.50 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.02 1bw4 n ARG 58 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bw4 n GLY 59 N -0.15 0.53 0.10 5.14 0.00 -1.26 -0.45 105.19 109.10 1bw4 n GLY 59 Ca 0.43 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1bw4 n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bw4 n GLN 60 N 0.00 0.07 -0.18 1.61 6.02 -1.26 -0.50 117.38 123.14 1bw4 n GLN 60 Ca 0.00 0.52 0.06 0.00 -0.01 0.00 0.00 57.00 57.57 1bw4 n GLN 60 Cb 0.00 -1.88 0.17 0.00 1.02 0.00 0.00 30.24 29.55 1bw4 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bw4 n ALA 61 N -1.55 2.44 -0.02 -1.58 0.00 -0.33 -4.31 120.51 115.16 1bw4 n ALA 61 Ca -0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 53.44 52.78 1bw4 n ALA 61 Cb 0.17 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 0.56 0.89 -1.40 0.00 0.00 0.40 -4.79 120.51 116.16 1bw4 n ALA 62 Ca 0.12 -0.33 -0.49 0.00 0.00 0.00 0.00 53.44 52.73 1bw4 n ALA 62 Cb 0.31 0.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 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 6.86 1.36 3.96 0.00 0.00 -0.89 -5.01 105.19 111.47 1bw4 n GLY 64 Ca 0.56 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.36 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 2.59 0.16 1.61 1.02 0.46 -4.75 119.74 120.82 1bw4 s LYS 65 Ca 0.00 -0.65 0.09 0.00 0.02 0.00 0.00 55.97 55.44 1bw4 s LYS 65 Cb 0.00 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1bw4 s LYS 65 CO 0.00 -0.71 -0.15 0.00 -0.92 0.00 0.00 175.35 173.56 1bw4 s LEU 67 N -2.55 3.38 -0.18 0.00 2.96 -0.98 -0.20 118.68 121.11 1bw4 s LEU 67 Ca 0.22 -0.10 -0.16 0.00 -0.22 0.00 0.00 54.13 53.86 1bw4 s LEU 67 Cb -0.09 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1bw4 s LEU 67 CO 0.12 0.14 0.40 -0.60 -1.32 0.00 0.00 176.35 175.10 1bw4 s ARG 68 N 0.56 4.22 -0.19 1.98 6.06 -0.16 -0.86 118.95 130.55 1bw4 s ARG 68 Ca -0.01 0.24 -0.01 0.00 -2.50 0.00 0.00 55.73 53.46 1bw4 s ARG 68 Cb -0.14 -3.50 0.01 0.00 0.06 0.00 0.00 34.95 31.38 1bw4 s ARG 68 CO 0.02 0.03 -0.15 0.08 -2.50 0.00 0.00 175.30 172.78 1bw4 s VAL 69 N 1.08 2.48 0.06 7.11 1.01 -0.47 -1.51 120.40 130.17 1bw4 s VAL 69 Ca 0.20 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1bw4 s VAL 69 Cb -0.15 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1bw4 s VAL 69 CO 0.08 0.50 -0.19 -0.89 0.00 0.00 0.00 175.10 174.60 1bw4 s THR 70 N 1.34 2.71 -0.69 3.92 2.01 -0.23 -0.82 115.64 123.88 1bw4 s THR 70 Ca 0.05 -1.31 -0.02 0.00 0.31 0.00 0.00 61.69 60.72 1bw4 s THR 70 Cb -0.13 -2.16 0.17 0.00 0.01 0.00 0.00 72.50 70.39 1bw4 s THR 70 CO -0.10 0.27 0.51 0.21 -0.69 0.00 0.00 174.62 174.83 1bw4 s ASN 71 N -1.61 5.31 0.00 3.53 3.84 0.68 -2.38 114.94 124.30 1bw4 s ASN 71 Ca 0.15 -3.15 0.00 0.00 0.21 0.00 0.00 52.86 50.07 1bw4 s ASN 71 Cb -0.10 -1.84 0.00 0.00 -0.55 0.00 0.00 41.25 38.76 1bw4 s ASN 71 CO 0.06 -0.29 0.88 -2.65 -2.79 0.00 0.00 177.10 172.31 1bw4 n PRO 72 N 3.07 0.00 0.03 0.43 -0.02 -1.26 -0.55 135.00 136.71 1bw4 n PRO 72 Ca 0.12 0.38 -0.02 0.00 -2.02 0.00 0.00 63.50 61.96 1bw4 n PRO 72 Cb 0.37 -1.61 -0.09 0.00 -0.02 0.00 0.00 33.50 32.15 1bw4 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw4 h ALA 73 N 1.54 0.67 0.00 3.55 0.00 -1.94 -3.41 119.26 119.67 1bw4 h ALA 73 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 54.91 53.85 1bw4 h ALA 73 Cb 0.23 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1bw4 h ALA 73 CO 0.00 1.03 -1.47 0.25 0.00 0.00 0.00 179.25 179.05 1bw4 n THR 74 N -2.96 0.48 0.00 0.00 -2.24 -0.25 -5.02 114.28 104.28 1bw4 n THR 74 Ca -0.10 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1bw4 n THR 74 Cb 0.87 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 3.07 0.66 3.76 3.38 0.00 0.29 -5.08 105.19 111.27 1bw4 n GLY 75 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 2.99 -0.06 4.61 0.00 -1.25 -4.74 121.76 121.31 1bw4 s ALA 76 Ca 0.00 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 1bw4 s ALA 76 Cb 0.00 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.69 1bw4 s ALA 76 CO 0.00 -0.91 0.34 1.14 0.00 0.00 0.00 175.76 176.33 1bw4 s GLN 77 N -2.66 0.59 0.13 0.00 -2.07 -1.26 -0.23 119.66 114.16 1bw4 s GLN 77 Ca 0.64 0.06 -0.01 0.00 -1.82 0.00 0.00 55.36 54.24 1bw4 s GLN 77 Cb -0.34 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 31.81 1bw4 s GLN 77 CO 0.42 -0.14 0.05 -1.50 -1.32 0.00 0.00 175.29 172.79 1bw4 s ILE 78 N -0.79 0.14 -0.29 3.63 2.07 -0.00 -5.00 121.20 120.95 1bw4 s ILE 78 Ca -0.09 -1.91 -0.01 0.00 -1.41 0.00 0.00 60.65 57.24 1bw4 s ILE 78 Cb -0.04 -2.01 0.05 0.00 0.13 0.00 0.00 42.46 40.59 1bw4 s ILE 78 CO 0.03 -0.51 -0.03 -0.89 -1.91 0.00 0.00 174.94 171.64 1bw4 s THR 79 N -4.02 2.83 0.76 4.00 2.01 -1.26 -1.36 115.64 118.59 1bw4 s THR 79 Ca 0.23 -1.41 -0.04 0.00 0.31 0.00 0.00 61.69 60.78 1bw4 s THR 79 Cb 0.07 -2.62 0.14 0.00 0.01 0.00 0.00 72.50 70.10 1bw4 s THR 79 CO 0.01 -0.07 1.05 0.00 -0.69 0.00 0.00 174.62 174.92 1bw4 s ALA 80 N 1.23 3.44 -0.30 7.40 0.00 -0.04 -4.25 121.76 129.23 1bw4 s ALA 80 Ca -0.06 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.31 1bw4 s ALA 80 Cb -0.20 -2.16 0.09 0.00 0.00 0.00 0.00 23.12 20.86 1bw4 s ALA 80 CO -0.02 -1.61 0.03 1.03 0.00 0.00 0.00 175.76 175.18 1bw4 s ARG 81 N -5.27 1.40 -0.56 0.00 1.81 -1.26 -2.32 118.95 112.75 1bw4 s ARG 81 Ca 0.67 -1.47 -0.27 0.00 -1.72 0.00 0.00 55.73 52.95 1bw4 s ARG 81 Cb -0.05 -2.78 -0.02 0.00 -0.45 0.00 0.00 34.95 31.65 1bw4 s ARG 81 CO 0.46 -0.85 1.89 0.42 -0.68 0.00 0.00 175.30 176.54 1bw4 s ILE 82 N 1.18 3.35 0.07 1.52 1.01 0.13 0.15 121.20 128.61 1bw4 s ILE 82 Ca 0.05 0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.94 1bw4 s ILE 82 Cb -0.19 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 1bw4 s ILE 82 CO -0.11 -0.77 -0.00 0.52 0.00 0.00 0.00 174.94 174.57 1bw4 n VAL 83 N 7.30 0.88 -3.55 2.92 0.31 0.46 -2.09 118.33 124.56 1bw4 n VAL 83 Ca 0.22 0.29 -0.21 0.00 -0.01 0.00 0.00 64.34 64.63 1bw4 n VAL 83 Cb 0.52 -1.42 -0.03 0.00 -0.91 0.00 0.00 33.84 31.99 1bw4 n VAL 83 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1bw4 s ASP 84 N -5.71 5.06 0.11 4.52 1.01 -1.12 -4.34 116.67 116.21 1bw4 s ASP 84 Ca -0.00 -0.74 0.10 0.00 0.71 0.00 0.00 52.55 52.62 1bw4 s ASP 84 Cb 0.00 -0.56 -0.04 0.00 1.01 0.00 0.00 42.92 43.33 1bw4 s ASP 84 CO 0.00 -0.66 -0.25 -1.58 0.21 0.00 0.00 175.17 172.89 1bw4 s GLN 85 N -4.14 1.35 0.59 8.23 0.74 -1.26 0.11 119.66 125.27 1bw4 s GLN 85 Ca 0.48 -1.27 0.08 0.00 0.05 0.00 0.00 55.36 54.71 1bw4 s GLN 85 Cb -0.03 -1.74 0.08 0.00 1.10 0.00 0.00 33.01 32.41 1bw4 s GLN 85 CO 0.28 0.42 0.70 0.00 -0.55 0.00 0.00 175.29 176.13 1bw4 n ALA 87 N -2.15 2.34 -3.00 0.00 0.00 -1.26 -4.91 120.51 111.53 1bw4 n ALA 87 Ca 0.11 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1bw4 n ALA 87 Cb 0.63 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1bw4 n ALA 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw4 n ASN 88 N 0.74 0.00 0.00 0.00 6.94 -1.26 -5.18 115.26 116.50 1bw4 n ASN 88 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 1bw4 n ASN 88 Cb 0.40 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 1bw4 n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bw4 n GLY 89 N 0.44 3.50 0.00 4.83 0.00 -1.26 -4.83 105.19 107.87 1bw4 n GLY 89 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 5.00 2.06 0.00 -0.02 0.00 -1.26 -4.71 105.19 106.25 1bw4 n GLY 90 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1bw4 n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bw4 n LEU 91 N 0.00 0.00 0.00 0.99 0.00 0.05 -2.98 117.00 115.06 1bw4 n LEU 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1bw4 n LEU 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1bw4 n LEU 91 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 177.39 176.49 1bw4 n ASP 92 N 0.00 0.00 -4.22 1.96 5.68 -1.18 -2.23 116.55 116.56 1bw4 n ASP 92 Ca 0.00 -0.25 -0.42 0.00 -0.50 0.00 0.00 54.79 53.62 1bw4 n ASP 92 Cb 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 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 5.96 0.00 -2.12 1.43 -1.17 -0.53 118.68 122.25 1bw4 s LEU 93 Ca 0.00 -2.45 0.00 0.00 -1.03 0.00 0.00 54.13 50.65 1bw4 s LEU 93 Cb 0.00 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1bw4 s LEU 93 CO 0.00 -0.57 0.00 -0.67 0.23 0.00 0.00 176.35 175.34 1bw4 n ASP 94 N 4.19 0.00 0.00 2.29 -0.08 -1.19 -3.85 116.55 117.91 1bw4 n ASP 94 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1bw4 n ASP 94 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1bw4 n ASP 94 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1bw4 n TRP 95 N 0.00 0.00 -0.50 -0.67 -0.00 -1.26 -3.94 117.44 111.07 1bw4 n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1bw4 n TRP 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 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 0.86 0.01 -0.01 5.87 2.03 -1.26 -4.58 116.55 119.46 1bw4 n ASP 96 Ca 0.00 -0.50 -0.01 0.00 0.52 0.00 0.00 54.79 54.80 1bw4 n ASP 96 Cb 0.00 0.01 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.50 0.00 0.00 5.18 1.35 -1.89 -3.43 112.91 114.62 1bw4 h THR 97 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1bw4 h THR 97 Cb 0.25 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.67 1bw4 h THR 97 CO 0.00 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.79 1bw4 n VAL 98 N -2.72 0.00 0.00 6.82 0.31 -1.26 -4.52 118.33 116.95 1bw4 n VAL 98 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1bw4 n VAL 98 Cb 0.05 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1bw4 n VAL 98 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bw4 n PHE 99 N -0.90 0.00 0.18 3.52 7.35 -1.26 -1.18 117.46 125.16 1bw4 n PHE 99 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1bw4 n PHE 99 Cb 0.00 -0.20 0.00 0.00 0.35 0.00 0.00 39.48 39.63 1bw4 n PHE 99 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1bw4 n THR 100 N -1.47 0.00 -0.07 -2.13 -1.04 -1.26 -1.08 114.28 107.23 1bw4 n THR 100 Ca 0.00 0.57 -0.15 0.00 -2.04 0.00 0.00 64.05 62.43 1bw4 n THR 100 Cb 0.00 -1.16 -0.06 0.00 -1.82 0.00 0.00 70.33 67.29 1bw4 n THR 100 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bw4 n LYS 101 N -1.59 0.32 0.00 -2.82 4.76 -0.86 -4.62 118.16 113.35 1bw4 n LYS 101 Ca 0.00 0.13 0.15 0.00 -2.87 0.00 0.00 58.31 55.71 1bw4 n LYS 101 Cb 0.57 -1.07 0.74 0.00 -1.84 0.00 0.00 35.03 33.42 1bw4 n LYS 101 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1bw4 n ILE 102 N -3.52 0.00 -3.10 -0.18 -5.35 -0.30 -4.48 119.36 102.43 1bw4 n ILE 102 Ca -0.28 -0.01 -0.45 0.00 -0.27 0.00 0.00 62.75 61.74 1bw4 n ILE 102 Cb 0.72 -0.42 -0.01 0.00 -1.74 0.00 0.00 39.64 38.18 1bw4 n ILE 102 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1bw4 s ASP 103 N -2.54 6.91 0.06 7.28 1.11 -0.24 -4.87 116.67 124.38 1bw4 s ASP 103 Ca 0.29 -2.74 0.07 0.00 0.18 0.00 0.00 52.55 50.35 1bw4 s ASP 103 Cb 0.20 -2.32 -0.23 0.00 1.07 0.00 0.00 42.92 41.64 1bw4 s ASP 103 CO 0.46 -0.72 1.05 0.71 1.18 0.00 0.00 175.17 177.85 1bw4 h THR 104 N 4.87 1.40 0.05 -1.27 1.35 -1.88 -3.38 112.91 114.05 1bw4 h THR 104 Ca 0.19 -3.14 -0.07 0.00 -0.55 0.00 0.00 66.41 62.84 1bw4 h THR 104 Cb 0.96 2.72 0.01 0.00 -1.73 0.00 0.00 68.15 70.11 1bw4 h THR 104 CO 1.05 0.82 -0.33 -0.55 -0.25 0.00 0.00 175.52 176.26 1bw4 h ASN 105 N 0.01 0.17 0.00 5.36 -1.07 -1.98 -3.49 115.58 114.58 1bw4 h ASN 105 Ca -0.12 -0.98 0.00 0.00 0.07 0.00 0.00 56.30 55.28 1bw4 h ASN 105 Cb 1.87 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 38.07 1bw4 h ASN 105 CO 0.12 1.16 0.00 0.61 0.07 0.00 0.00 177.43 179.39 1bw4 n GLY 106 N 1.63 3.18 0.11 9.14 0.00 -1.26 -4.96 105.19 113.02 1bw4 n GLY 106 Ca -0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 -0.16 -0.37 -0.61 2.08 -1.26 0.15 119.36 119.19 1bw4 n ILE 107 Ca 0.00 0.65 -0.04 0.00 0.56 0.00 0.00 62.75 63.92 1bw4 n ILE 107 Cb 0.00 -0.84 0.01 0.00 -0.75 0.00 0.00 39.64 38.06 1bw4 n ILE 107 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1bw4 h GLY 108 N 0.00 -0.16 -0.13 7.39 0.00 -1.93 0.56 103.07 108.80 1bw4 h GLY 108 Ca 0.08 0.58 0.25 0.00 0.00 0.00 0.00 47.33 48.24 1bw4 h GLY 108 CO -0.27 -0.15 0.62 -1.82 0.00 0.00 0.00 176.54 174.92 1bw4 h TYR 109 N -0.02 0.93 0.00 5.60 3.20 -0.65 -1.46 116.97 124.57 1bw4 h TYR 109 Ca 0.29 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1bw4 h TYR 109 Cb 0.55 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1bw4 h TYR 109 CO -0.89 0.08 0.00 1.04 -1.64 0.00 0.00 178.16 176.75 1bw4 n GLN 110 N -4.81 0.92 -2.61 1.82 6.02 0.20 -4.77 117.38 114.14 1bw4 n GLN 110 Ca 0.26 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.24 1bw4 n GLN 110 Cb 0.77 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.99 1bw4 n GLN 110 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bw4 n GLN 111 N 1.17 -1.18 -2.92 -1.09 3.00 -0.60 -5.04 117.38 110.73 1bw4 n GLN 111 Ca 0.00 1.36 -0.13 0.00 -0.01 0.00 0.00 57.00 58.22 1bw4 n GLN 111 Cb 0.46 -4.64 0.03 0.00 0.00 0.00 0.00 30.24 26.09 1bw4 n GLN 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bw4 n GLY 112 N -1.25 2.14 1.71 1.08 0.00 -0.93 -4.97 105.19 102.97 1bw4 n GLY 112 Ca 0.02 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 1bw4 n GLY 112 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bw4 n HIS 113 N 0.15 -0.72 -4.25 1.61 1.44 -1.26 -4.54 115.22 107.66 1bw4 n HIS 113 Ca 0.14 0.40 -0.19 0.00 -2.01 0.00 0.00 57.72 56.06 1bw4 n HIS 113 Cb 0.72 -0.95 -0.07 0.00 0.12 0.00 0.00 29.99 29.81 1bw4 n HIS 113 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1bw4 s LEU 114 N 1.92 1.61 -0.13 2.39 0.05 0.27 -4.93 118.68 119.87 1bw4 s LEU 114 Ca 0.31 -1.71 -0.15 0.00 0.05 0.00 0.00 54.13 52.64 1bw4 s LEU 114 Cb -0.39 0.73 -0.05 0.00 -2.05 0.00 0.00 46.19 44.43 1bw4 s LEU 114 CO 0.31 -1.11 0.34 0.21 -0.55 0.00 0.00 176.35 175.55 1bw4 s ASN 115 N -3.35 6.53 0.17 1.48 3.84 -1.26 0.11 114.94 122.46 1bw4 s ASN 115 Ca 0.39 0.62 0.01 0.00 0.21 0.00 0.00 52.86 54.09 1bw4 s ASN 115 Cb 0.02 -2.21 -0.04 0.00 -0.55 0.00 0.00 41.25 38.47 1bw4 s ASN 115 CO 0.26 0.11 0.03 0.68 -2.79 0.00 0.00 177.10 175.39 1bw4 s VAL 116 N 0.31 0.48 -0.10 -5.21 -7.23 -0.19 -4.63 120.40 103.82 1bw4 s VAL 116 Ca 0.19 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1bw4 s VAL 116 Cb -0.14 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.64 1bw4 s VAL 116 CO 0.06 -0.40 -0.12 0.20 -0.31 0.00 0.00 175.10 174.53 1bw4 s ASN 117 N -3.16 2.22 -0.01 4.85 0.01 -1.00 -1.41 114.94 116.43 1bw4 s ASN 117 Ca 0.26 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1bw4 s ASN 117 Cb 0.07 -0.96 0.02 0.00 0.41 0.00 0.00 41.25 40.78 1bw4 s ASN 117 CO 0.05 -0.02 0.02 -0.72 -1.51 0.00 0.00 177.10 174.91 1bw4 s TYR 118 N 1.15 0.06 -0.03 2.20 -0.85 -0.42 -1.06 117.35 118.39 1bw4 s TYR 118 Ca -0.04 0.07 0.05 0.00 -0.52 0.00 0.00 57.07 56.62 1bw4 s TYR 118 Cb -0.14 -0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.01 1bw4 s TYR 118 CO -0.03 -0.06 -0.17 -0.65 -1.52 0.00 0.00 175.55 173.12 1bw4 s GLN 119 N 0.68 1.59 0.23 -3.49 1.11 -0.57 -1.76 119.66 117.46 1bw4 s GLN 119 Ca -0.06 -0.59 -0.32 0.00 0.01 0.00 0.00 55.36 54.41 1bw4 s GLN 119 Cb -0.08 -1.44 -0.13 0.00 -1.01 0.00 0.00 33.01 30.35 1bw4 s GLN 119 CO -0.02 0.28 1.50 1.19 0.01 0.00 0.00 175.29 178.25 1bw4 n PHE 120 N 2.98 2.37 -4.00 0.91 3.01 -0.85 -0.99 117.46 120.89 1bw4 n PHE 120 Ca -0.17 0.34 -0.08 0.00 1.01 0.00 0.00 57.45 58.54 1bw4 n PHE 120 Cb 0.53 -2.52 -0.09 0.00 -0.01 0.00 0.00 39.48 37.40 1bw4 n PHE 120 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1bw4 s VAL 121 N 0.22 0.15 0.23 -4.37 0.11 0.71 -4.81 120.40 112.65 1bw4 s VAL 121 Ca 0.70 -1.54 -0.11 0.00 -2.93 0.00 0.00 61.98 58.09 1bw4 s VAL 121 Cb -0.61 -1.59 -0.07 0.00 -1.53 0.00 0.00 36.38 32.57 1bw4 s VAL 121 CO 0.46 -0.68 0.58 -0.62 -3.33 0.00 0.00 175.10 171.51 1bw4 s ASP 122 N -2.93 6.69 -0.13 3.54 2.15 -1.26 -0.66 116.67 124.08 1bw4 s ASP 122 Ca 0.11 1.01 -0.09 0.00 0.43 0.00 0.00 52.55 54.01 1bw4 s ASP 122 Cb 0.06 -2.26 -0.26 0.00 -0.30 0.00 0.00 42.92 40.16 1bw4 s ASP 122 CO -0.07 -0.06 0.37 0.00 -0.17 0.00 0.00 175.17 175.24 1bw4 n ARG 124 N -3.60 -0.39 0.00 0.00 3.00 -1.26 -5.11 116.66 109.30 1bw4 n ARG 124 Ca -0.32 0.03 0.14 0.00 -0.00 0.00 0.00 57.85 57.71 1bw4 n ARG 124 Cb 1.01 -2.48 0.53 0.00 0.00 0.00 0.00 32.46 31.52 1bw4 n ARG 124 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16