#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n33 h ARG 12 N 0.00 0.00 -4.66 1.97 3.08 -1.97 -3.49 114.38 109.31 1n33 h ARG 12 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n33 h ARG 12 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1n33 h ARG 12 CO 0.00 0.42 -0.33 1.04 -1.07 0.00 0.00 179.97 180.03 1n33 n GLN 13 N -3.63 -1.66 0.00 0.04 1.13 -1.24 -4.95 117.38 107.07 1n33 n GLN 13 Ca -0.01 1.64 0.13 0.00 -1.94 0.00 0.00 57.00 56.82 1n33 n GLN 13 Cb 0.52 -4.54 0.22 0.00 0.11 0.00 0.00 30.24 26.55 1n33 n GLN 13 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1n33 n VAL 14 N -0.47 0.00 0.00 5.09 0.24 -1.12 -4.99 118.33 117.08 1n33 n VAL 14 Ca 0.08 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1n33 n VAL 14 Cb 0.35 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 1n33 n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n33 n ALA 15 N 0.85 0.00 -2.79 2.33 0.00 -1.26 -4.57 120.51 115.07 1n33 n ALA 15 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.36 1n33 n ALA 15 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 1n33 n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n33 s SER 16 N -4.00 6.29 0.00 0.00 1.04 -1.26 -0.19 113.70 115.58 1n33 s SER 16 Ca 0.00 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1n33 s SER 16 Cb 0.00 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.19 1n33 s SER 16 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1n33 n GLY 17 N -1.63 2.89 2.85 7.32 0.00 0.76 -3.95 105.19 113.43 1n33 n GLY 17 Ca -0.06 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 1n33 n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n33 s ARG 18 N 2.82 0.55 -0.27 1.61 3.52 0.74 -1.16 118.95 126.77 1n33 s ARG 18 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 55.73 55.52 1n33 s ARG 18 Cb 0.00 -0.65 -0.01 0.00 -1.56 0.00 0.00 34.95 32.73 1n33 s ARG 18 CO 0.00 -0.11 0.07 0.00 -0.81 0.00 0.00 175.30 174.45 1n33 s ALA 19 N 0.97 3.10 -0.20 6.12 0.00 -0.07 -0.74 121.76 130.95 1n33 s ALA 19 Ca -0.10 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.50 1n33 s ALA 19 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1n33 s ALA 19 CO -0.01 -0.69 0.06 0.71 0.00 0.00 0.00 175.76 175.82 1n33 s TYR 20 N 1.56 3.17 -0.15 0.00 1.51 0.46 -0.08 117.35 123.81 1n33 s TYR 20 Ca 0.05 -0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 55.98 1n33 s TYR 20 Cb -0.16 -2.12 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 1n33 s TYR 20 CO 0.03 -0.02 -0.09 0.42 -1.11 0.00 0.00 175.55 174.78 1n33 s ILE 21 N 0.75 3.33 -0.79 2.71 1.01 0.28 -0.52 121.20 127.96 1n33 s ILE 21 Ca 0.03 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1n33 s ILE 21 Cb -0.14 -2.44 0.24 0.00 0.01 0.00 0.00 42.46 40.14 1n33 s ILE 21 CO 0.02 0.50 0.84 1.57 0.00 0.00 0.00 174.94 177.87 1n33 n HIS 22 N 3.76 3.51 -2.58 3.97 -0.00 -0.37 -0.36 115.22 123.15 1n33 n HIS 22 Ca -0.18 -3.91 -0.40 0.00 -0.00 0.00 0.00 57.72 53.23 1n33 n HIS 22 Cb 0.52 -0.84 -0.05 0.00 -0.00 0.00 0.00 29.99 29.62 1n33 n HIS 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1n33 s ALA 23 N -2.09 3.38 0.11 1.57 0.00 -1.14 -3.51 121.76 120.07 1n33 s ALA 23 Ca 0.33 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 53.06 1n33 s ALA 23 Cb 0.04 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1n33 s ALA 23 CO -0.05 -0.04 0.17 -1.13 0.00 0.00 0.00 175.76 174.70 1n33 n SER 24 N 1.50 -0.47 0.10 0.00 3.41 -1.04 -4.18 113.62 112.94 1n33 n SER 24 Ca -0.01 -1.56 0.12 0.00 -0.26 0.00 0.00 58.87 57.16 1n33 n SER 24 Cb 0.46 0.85 0.22 0.00 -0.26 0.00 0.00 64.21 65.48 1n33 n SER 24 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1n33 h TYR 25 N 1.31 0.00 -0.01 7.33 -1.99 -1.87 -3.13 116.97 118.61 1n33 h TYR 25 Ca -0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1n33 h TYR 25 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1n33 h TYR 25 CO 0.00 0.00 -0.46 0.09 -0.00 0.00 0.00 178.16 177.79 1n33 n ASN 26 N -2.33 1.32 0.00 3.88 3.02 -1.26 -4.70 115.26 115.19 1n33 n ASN 26 Ca 0.04 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1n33 n ASN 26 Cb 0.46 0.64 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 1n33 n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1n33 n ASN 27 N -0.53 0.00 -4.16 6.41 5.15 -1.26 -3.83 115.26 117.04 1n33 n ASN 27 Ca 0.05 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.90 1n33 n ASN 27 Cb 0.30 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.45 1n33 n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1n33 s THR 28 N -2.00 0.86 -0.26 -0.44 2.01 -1.25 -2.50 115.64 112.06 1n33 s THR 28 Ca 0.00 -1.64 -0.10 0.00 0.31 0.00 0.00 61.69 60.26 1n33 s THR 28 Cb 0.00 -1.34 0.10 0.00 0.01 0.00 0.00 72.50 71.27 1n33 s THR 28 CO 0.00 -0.60 0.58 0.27 -0.69 0.00 0.00 174.62 174.18 1n33 s ILE 29 N -2.55 -0.64 0.02 1.82 -4.36 -1.23 -3.22 121.20 111.05 1n33 s ILE 29 Ca 0.05 0.05 -0.00 0.00 -0.26 0.00 0.00 60.65 60.49 1n33 s ILE 29 Cb -0.02 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.77 1n33 s ILE 29 CO -0.01 0.02 0.14 -0.69 0.24 0.00 0.00 174.94 174.64 1n33 s VAL 30 N 2.46 5.03 -0.02 8.37 1.01 -1.24 -1.24 120.40 134.77 1n33 s VAL 30 Ca -0.06 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1n33 s VAL 30 Cb -0.10 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1n33 s VAL 30 CO -0.17 0.26 -0.09 -0.89 0.00 0.00 0.00 175.10 174.21 1n33 s THR 31 N -1.33 0.74 -0.09 3.92 2.01 0.32 -2.37 115.64 118.84 1n33 s THR 31 Ca 0.28 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 1n33 s THR 31 Cb -0.12 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1n33 s THR 31 CO 0.20 0.23 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.66 1n33 s ILE 32 N 0.17 3.71 0.01 1.82 -1.09 -0.23 -0.41 121.20 125.18 1n33 s ILE 32 Ca -0.03 -0.46 -0.07 0.00 -2.23 0.00 0.00 60.65 57.86 1n33 s ILE 32 Cb -0.08 -2.55 -0.00 0.00 -1.58 0.00 0.00 42.46 38.25 1n33 s ILE 32 CO 0.00 0.57 0.14 0.28 -1.23 0.00 0.00 174.94 174.70 1n33 s THR 33 N -0.43 0.09 0.93 2.92 -1.32 0.08 0.13 115.64 118.04 1n33 s THR 33 Ca 0.06 -0.78 -0.11 0.00 -1.21 0.00 0.00 61.69 59.65 1n33 s THR 33 Cb -0.12 -0.57 0.15 0.00 -1.51 0.00 0.00 72.50 70.45 1n33 s THR 33 CO 0.02 -0.43 1.10 1.51 -2.21 0.00 0.00 174.62 174.61 1n33 s ASP 34 N -1.60 3.00 0.61 8.08 1.47 -0.15 -0.18 116.67 127.89 1n33 s ASP 34 Ca -0.12 1.85 0.27 0.00 1.18 0.00 0.00 52.55 55.74 1n33 s ASP 34 Cb -0.06 -2.43 1.28 0.00 -0.34 0.00 0.00 42.92 41.38 1n33 s ASP 34 CO -0.00 -2.99 1.70 -0.65 0.68 0.00 0.00 175.17 173.90 1n33 h PRO 35 N -1.79 0.00 0.03 2.11 0.11 -1.88 0.22 132.00 130.80 1n33 h PRO 35 Ca -0.48 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 1n33 h PRO 35 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1n33 h PRO 35 CO 0.48 0.00 -1.00 0.22 -0.21 0.00 0.00 178.00 177.49 1n33 h ASP 36 N 0.00 0.19 0.00 -2.05 3.58 -1.95 -3.48 116.42 112.71 1n33 h ASP 36 Ca 0.25 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1n33 h ASP 36 Cb 1.63 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.62 1n33 h ASP 36 CO -0.00 1.07 0.00 0.61 -2.88 0.00 0.00 179.24 178.04 1n33 n GLY 37 N 1.18 1.54 3.68 -0.78 0.00 0.77 -5.09 105.19 106.50 1n33 n GLY 37 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1n33 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n33 s ASN 38 N -1.25 6.75 0.68 1.61 -0.87 -1.26 -4.69 114.94 115.92 1n33 s ASN 38 Ca 0.00 2.22 -0.16 0.00 -1.57 0.00 0.00 52.86 53.35 1n33 s ASN 38 Cb 0.00 -2.56 0.01 0.00 -0.02 0.00 0.00 41.25 38.69 1n33 s ASN 38 CO 0.00 -0.80 1.20 -2.16 -2.57 0.00 0.00 177.10 172.77 1n33 s PRO 39 N 2.77 2.46 0.00 -0.60 0.04 -1.26 -0.98 135.00 137.43 1n33 s PRO 39 Ca 0.68 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1n33 s PRO 39 Cb -0.34 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1n33 s PRO 39 CO 0.28 -1.59 0.00 -0.89 0.04 0.00 0.00 177.00 174.84 1n33 n ILE 40 N -2.35 0.00 -2.94 0.56 5.41 0.34 -4.74 119.36 115.64 1n33 n ILE 40 Ca 0.13 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.73 1n33 n ILE 40 Cb 0.50 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.49 1n33 n ILE 40 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1n33 n THR 41 N 0.00 0.00 -3.63 1.39 -2.24 -1.22 -4.90 114.28 103.68 1n33 n THR 41 Ca 0.00 -1.45 -0.11 0.00 -2.27 0.00 0.00 64.05 60.22 1n33 n THR 41 Cb 0.00 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 1n33 n THR 41 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1n33 s TRP 42 N -1.88 -0.55 0.00 4.78 1.48 -1.26 -1.07 118.94 120.44 1n33 s TRP 42 Ca 0.48 1.29 0.00 0.00 -1.06 0.00 0.00 56.10 56.81 1n33 s TRP 42 Cb -0.04 0.35 0.00 0.00 -1.16 0.00 0.00 33.47 32.62 1n33 s TRP 42 CO 0.31 -0.29 0.00 0.45 -4.06 0.00 0.00 176.95 173.36 1n33 n SER 43 N 2.14 1.13 0.00 -2.66 2.88 -1.00 -4.87 113.62 111.24 1n33 n SER 43 Ca -0.13 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.71 1n33 n SER 43 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1n33 n SER 43 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1n33 n SER 44 N -1.31 0.00 0.14 -3.46 2.88 -1.26 -3.62 113.62 106.99 1n33 n SER 44 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1n33 n SER 44 Cb 0.00 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 63.98 1n33 n SER 44 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n33 n GLY 45 N -0.90 -1.05 0.12 0.46 0.00 -1.20 -0.52 105.19 102.11 1n33 n GLY 45 Ca 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1n33 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n33 n GLY 46 N -0.66 -0.65 0.33 -0.02 0.00 -1.26 -3.99 105.19 98.93 1n33 n GLY 46 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 1n33 n GLY 46 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n33 h VAL 47 N 0.03 0.23 -0.57 1.61 2.07 -1.14 -3.39 116.25 115.09 1n33 h VAL 47 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1n33 h VAL 47 Cb 2.02 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1n33 h VAL 47 CO 0.04 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.25 1n33 n ILE 48 N -5.42 0.00 0.00 4.57 5.41 -0.36 -4.99 119.36 118.57 1n33 n ILE 48 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1n33 n ILE 48 Cb 0.34 -1.14 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 1n33 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1n33 n GLY 49 N 4.62 -1.02 1.05 7.39 0.00 -1.26 -4.93 105.19 111.03 1n33 n GLY 49 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1n33 n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n33 n TYR 50 N -0.00 -1.92 -1.51 1.61 0.53 -1.26 -4.19 117.16 110.41 1n33 n TYR 50 Ca 0.00 1.14 -0.34 0.00 -1.02 0.00 0.00 57.90 57.68 1n33 n TYR 50 Cb 0.00 -2.62 0.07 0.00 -1.03 0.00 0.00 39.34 35.76 1n33 n TYR 50 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 1n33 n LYS 51 N 0.62 2.85 0.00 -0.72 5.02 -1.26 -4.65 118.16 120.01 1n33 n LYS 51 Ca 0.00 -3.46 0.00 0.00 -2.02 0.00 0.00 58.31 52.83 1n33 n LYS 51 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 1n33 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n33 n GLY 52 N -0.85 3.29 0.07 0.72 0.00 -1.26 -4.92 105.19 102.24 1n33 n GLY 52 Ca 0.59 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1n33 n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1n33 h SER 53 N 0.77 0.00 -0.05 1.61 0.87 -1.90 -3.35 113.55 111.49 1n33 h SER 53 Ca 0.00 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.19 1n33 h SER 53 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1n33 h SER 53 CO 0.00 0.90 0.04 0.03 -0.53 0.00 0.00 176.83 177.26 1n33 h ARG 54 N -1.00 0.00 -1.49 2.24 2.47 -1.92 -2.94 114.38 111.74 1n33 h ARG 54 Ca -0.07 0.00 0.44 0.00 -1.26 0.00 0.00 59.98 59.09 1n33 h ARG 54 Cb 0.66 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.89 1n33 h ARG 54 CO -0.04 0.00 1.04 0.87 0.56 0.00 0.00 179.97 182.40 1n33 h LYS 55 N 0.00 0.05 0.16 0.04 1.57 -1.83 -2.36 116.57 114.20 1n33 h LYS 55 Ca 0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1n33 h LYS 55 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1n33 h LYS 55 CO -0.00 0.03 -0.08 0.78 -0.57 0.00 0.00 179.45 179.62 1n33 h GLY 56 N 0.05 -0.23 -2.70 3.86 0.00 -1.62 -3.32 103.07 99.12 1n33 h GLY 56 Ca 0.77 0.08 -0.40 0.00 0.00 0.00 0.00 47.33 47.78 1n33 h GLY 56 CO -0.14 -0.08 -0.69 -0.37 0.00 0.00 0.00 176.54 175.26 1n33 n THR 57 N -4.93 0.20 -0.14 4.70 5.66 -0.89 -4.15 114.28 114.72 1n33 n THR 57 Ca -0.08 -0.33 -0.05 0.00 -3.05 0.00 0.00 64.05 60.54 1n33 n THR 57 Cb 0.27 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.08 1n33 n THR 57 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1n33 h PRO 58 N 0.10 0.41 -0.79 1.09 0.13 -1.89 -2.88 132.00 128.17 1n33 h PRO 58 Ca -0.25 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 64.93 1n33 h PRO 58 Cb 0.94 -0.09 -0.10 0.00 0.13 0.00 0.00 31.00 31.88 1n33 h PRO 58 CO 0.29 0.27 -0.56 -0.92 -0.23 0.00 0.00 178.00 176.85 1n33 h TYR 59 N 0.42 -1.77 -0.72 1.56 3.20 -1.93 1.48 116.97 119.20 1n33 h TYR 59 Ca 0.20 0.11 0.14 0.00 3.14 0.00 0.00 58.73 62.32 1n33 h TYR 59 Cb 0.12 0.88 -0.14 0.00 1.54 0.00 0.00 36.73 39.13 1n33 h TYR 59 CO -0.11 -0.39 -0.20 0.00 -1.64 0.00 0.00 178.16 175.82 1n33 h ALA 60 N 0.28 0.44 -0.02 1.82 0.00 -1.78 1.25 119.26 121.25 1n33 h ALA 60 Ca 0.13 0.28 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 1n33 h ALA 60 Cb 0.45 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1n33 h ALA 60 CO -0.81 -0.44 -0.27 0.00 0.00 0.00 0.00 179.25 177.74 1n33 h ALA 61 N 1.67 1.52 0.46 0.00 0.00 0.01 0.43 119.26 123.33 1n33 h ALA 61 Ca 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1n33 h ALA 61 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1n33 h ALA 61 CO -0.75 0.36 -0.22 0.37 0.00 0.00 0.00 179.25 179.01 1n33 h GLN 62 N 0.03 -0.59 -0.01 0.00 4.15 1.08 0.48 115.11 120.25 1n33 h GLN 62 Ca 0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1n33 h GLN 62 Cb 0.50 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1n33 h GLN 62 CO 0.04 -0.29 -0.07 -0.07 -1.93 0.00 0.00 178.83 176.51 1n33 h LEU 63 N -0.95 -0.22 -0.67 -2.39 3.38 -0.11 -0.97 115.31 113.37 1n33 h LEU 63 Ca -0.06 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.10 1n33 h LEU 63 Cb 0.58 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 1n33 h LEU 63 CO 0.10 -0.07 -0.06 0.00 0.09 0.00 0.00 178.44 178.50 1n33 n ALA 64 N -2.59 0.27 0.32 1.53 0.00 0.12 0.99 120.51 121.16 1n33 n ALA 64 Ca -0.01 0.73 -0.18 0.00 0.00 0.00 0.00 53.44 53.98 1n33 n ALA 64 Cb 0.05 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 1n33 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n33 h ALA 65 N 1.35 -1.02 -0.21 0.00 0.00 0.34 -2.37 119.26 117.36 1n33 h ALA 65 Ca 0.37 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1n33 h ALA 65 Cb 0.69 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1n33 h ALA 65 CO -0.66 -1.10 0.04 -0.07 0.00 0.00 0.00 179.25 177.46 1n33 h LEU 66 N -0.97 0.01 -0.86 0.00 3.38 0.19 -0.24 115.31 116.81 1n33 h LEU 66 Ca -0.07 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.11 1n33 h LEU 66 Cb 0.81 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.44 1n33 h LEU 66 CO 0.02 0.03 -0.22 -0.78 0.09 0.00 0.00 178.44 177.58 1n33 h ASP 67 N 0.12 -0.82 0.91 -0.43 -0.00 0.37 1.44 116.42 118.01 1n33 h ASP 67 Ca 0.09 0.26 -0.11 0.00 -0.00 0.00 0.00 57.03 57.28 1n33 h ASP 67 Cb 0.09 0.54 -0.02 0.00 -0.00 0.00 0.00 39.33 39.95 1n33 h ASP 67 CO -0.13 -0.29 -0.51 0.00 -0.00 0.00 0.00 179.24 178.32 1n33 h ALA 68 N 1.84 0.87 0.41 -0.78 0.00 -0.92 -2.61 119.26 118.06 1n33 h ALA 68 Ca 0.41 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1n33 h ALA 68 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1n33 h ALA 68 CO -0.89 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 178.63 1n33 h ALA 69 N 1.49 -1.07 -0.70 0.00 0.00 0.37 -2.28 119.26 117.06 1n33 h ALA 69 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n33 h ALA 69 Cb 1.11 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1n33 h ALA 69 CO 0.07 -1.09 0.00 1.63 0.00 0.00 0.00 179.25 179.86 1n33 n LYS 70 N -4.68 0.00 -0.18 0.00 4.01 -0.08 -0.31 118.16 116.92 1n33 n LYS 70 Ca -0.09 0.60 0.06 0.00 -0.51 0.00 0.00 58.31 58.37 1n33 n LYS 70 Cb 0.35 -1.38 0.12 0.00 -0.51 0.00 0.00 35.03 33.61 1n33 n LYS 70 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1n33 n LYS 71 N -2.03 -0.04 0.00 1.97 5.02 -0.99 0.33 118.16 122.42 1n33 n LYS 71 Ca 0.00 0.79 -0.15 0.00 -2.02 0.00 0.00 58.31 56.94 1n33 n LYS 71 Cb 0.00 -1.23 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 1n33 n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n33 h ALA 72 N 1.04 0.41 -0.76 7.82 0.00 -1.10 -2.97 119.26 123.70 1n33 h ALA 72 Ca 0.29 -0.60 0.18 0.00 0.00 0.00 0.00 54.91 54.77 1n33 h ALA 72 Cb 0.54 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 1n33 h ALA 72 CO -0.51 0.71 0.05 0.52 0.00 0.00 0.00 179.25 180.02 1n33 h MET 73 N 0.45 0.13 -0.64 0.00 2.86 0.84 0.25 114.93 118.82 1n33 h MET 73 Ca -0.04 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1n33 h MET 73 Cb 1.37 -0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.91 1n33 h MET 73 CO 0.15 0.08 -0.52 0.00 1.06 0.00 0.00 176.91 177.68 1n33 h ALA 74 N 1.70 -0.62 0.00 6.32 0.00 -1.06 0.29 119.26 125.89 1n33 h ALA 74 Ca 0.43 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1n33 h ALA 74 Cb 0.76 1.22 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1n33 h ALA 74 CO -0.65 -0.93 0.00 0.66 0.00 0.00 0.00 179.25 178.33 1n33 n TYR 75 N -5.07 0.00 -0.99 0.00 4.02 0.05 -4.53 117.16 110.64 1n33 n TYR 75 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1n33 n TYR 75 Cb 0.27 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 1n33 n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n33 n GLY 76 N 0.50 0.57 3.69 2.72 0.00 0.94 -2.77 105.19 110.83 1n33 n GLY 76 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 1n33 n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n33 n MET 77 N -2.47 1.84 -0.03 1.61 2.81 -0.82 -4.04 117.12 116.01 1n33 n MET 77 Ca 0.00 0.67 -0.04 0.00 -1.81 0.00 0.00 57.70 56.52 1n33 n MET 77 Cb 0.03 -2.46 -0.03 0.00 -0.71 0.00 0.00 33.22 30.06 1n33 n MET 77 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1n33 n GLN 78 N 5.93 0.15 -3.81 0.03 6.02 0.73 -4.53 117.38 121.90 1n33 n GLN 78 Ca 0.23 0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 57.14 1n33 n GLN 78 Cb 0.24 -1.11 -0.09 0.00 1.02 0.00 0.00 30.24 30.31 1n33 n GLN 78 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1n33 s SER 79 N -4.59 -0.07 0.25 1.08 0.15 -1.25 -0.66 113.70 108.60 1n33 s SER 79 Ca -0.08 -0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.28 1n33 s SER 79 Cb 0.02 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1n33 s SER 79 CO 0.14 -0.49 0.52 0.68 1.20 0.00 0.00 173.24 175.28 1n33 s VAL 80 N -1.89 0.00 -0.14 4.45 -7.23 -0.60 -0.17 120.40 114.82 1n33 s VAL 80 Ca -0.10 -1.30 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 1n33 s VAL 80 Cb -0.04 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 1n33 s VAL 80 CO 0.00 -0.01 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.07 1n33 s ASP 81 N -2.99 4.39 0.18 4.85 2.15 -0.31 -0.97 116.67 123.98 1n33 s ASP 81 Ca 0.20 -0.22 -0.17 0.00 0.43 0.00 0.00 52.55 52.78 1n33 s ASP 81 Cb -0.02 -1.65 -0.08 0.00 -0.30 0.00 0.00 42.92 40.87 1n33 s ASP 81 CO 0.08 0.18 0.65 -0.69 -0.17 0.00 0.00 175.17 175.22 1n33 s VAL 82 N 0.28 4.69 -0.17 1.11 1.01 -0.50 -0.89 120.40 125.93 1n33 s VAL 82 Ca -0.06 1.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.98 1n33 s VAL 82 Cb -0.15 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.48 1n33 s VAL 82 CO 0.04 0.24 0.05 -0.63 0.00 0.00 0.00 175.10 174.80 1n33 s ILE 83 N -1.48 0.30 0.06 2.22 1.01 0.88 -2.04 121.20 122.15 1n33 s ILE 83 Ca 0.40 -0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 1n33 s ILE 83 Cb -0.16 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 41.43 1n33 s ILE 83 CO 0.20 -0.18 0.59 -0.69 0.00 0.00 0.00 174.94 174.86 1n33 s VAL 84 N 1.97 4.77 -0.32 2.92 1.01 -0.87 -0.56 120.40 129.32 1n33 s VAL 84 Ca 0.01 1.25 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 1n33 s VAL 84 Cb -0.16 -3.92 0.11 0.00 0.00 0.00 0.00 36.38 32.40 1n33 s VAL 84 CO -0.08 0.52 0.12 -0.13 0.00 0.00 0.00 175.10 175.53 1n33 s ARG 85 N -0.86 0.60 0.00 2.72 1.81 0.51 -0.22 118.95 123.51 1n33 s ARG 85 Ca 0.30 -1.01 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 1n33 s ARG 85 Cb -0.19 -1.74 0.00 0.00 -0.45 0.00 0.00 34.95 32.57 1n33 s ARG 85 CO 0.19 -1.03 0.00 0.41 -0.68 0.00 0.00 175.30 174.19 1n33 n GLY 86 N 4.80 1.57 3.82 -3.53 0.00 -1.26 -2.90 105.19 107.69 1n33 n GLY 86 Ca -0.01 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 1n33 n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n33 s THR 87 N -1.81 5.00 0.00 2.61 -4.23 -1.26 -4.41 115.64 111.54 1n33 s THR 87 Ca 0.00 0.91 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1n33 s THR 87 Cb 0.00 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1n33 s THR 87 CO 0.00 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 1n33 n GLY 88 N 1.96 1.03 3.58 3.99 0.00 -1.26 -4.47 105.19 110.02 1n33 n GLY 88 Ca -0.13 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1n33 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n33 n ALA 89 N -0.12 -1.70 -3.76 4.61 0.00 -1.18 -3.54 120.51 114.81 1n33 n ALA 89 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 53.44 52.44 1n33 n ALA 89 Cb 0.00 -2.09 0.02 0.00 0.00 0.00 0.00 19.45 17.38 1n33 n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n33 n GLY 90 N 0.65 -0.27 0.70 0.00 0.00 -1.26 -4.41 105.19 100.60 1n33 n GLY 90 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1n33 n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1n33 n ARG 91 N -4.31 0.00 0.07 1.61 0.63 -1.23 -4.15 116.66 109.28 1n33 n ARG 91 Ca -0.30 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.66 1n33 n ARG 91 Cb 0.68 -0.02 0.16 0.00 0.45 0.00 0.00 32.46 33.73 1n33 n ARG 91 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1n33 n GLU 92 N -2.12 0.04 -0.08 -0.14 4.07 -1.26 0.03 120.64 121.18 1n33 n GLU 92 Ca 0.00 0.43 -0.11 0.00 -0.06 0.00 0.00 57.16 57.43 1n33 n GLU 92 Cb 0.00 -1.82 -0.07 0.00 -0.06 0.00 0.00 31.44 29.49 1n33 n GLU 92 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1n33 h GLN 93 N 0.00 0.00 0.00 5.31 -0.00 -1.96 -3.24 115.11 115.22 1n33 h GLN 93 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1n33 h GLN 93 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.87 1n33 h GLN 93 CO 0.00 0.51 0.34 0.00 0.00 0.00 0.00 178.83 179.68 1n33 h ALA 94 N -0.64 1.29 0.07 3.38 0.00 -0.56 -0.20 119.26 122.60 1n33 h ALA 94 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1n33 h ALA 94 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1n33 h ALA 94 CO -0.06 -0.29 -0.03 0.82 0.00 0.00 0.00 179.25 179.68 1n33 h ILE 95 N 0.00 0.17 -1.25 0.00 2.04 -1.48 -3.23 117.51 113.77 1n33 h ILE 95 Ca 0.00 -1.05 0.39 0.00 1.00 0.00 0.00 64.86 65.20 1n33 h ILE 95 Cb 0.68 0.32 -0.12 0.00 -0.74 0.00 0.00 36.82 36.97 1n33 h ILE 95 CO 0.00 0.06 0.81 0.03 0.00 0.00 0.00 178.15 179.04 1n33 h ARG 96 N -1.02 0.16 0.18 2.37 -0.00 -1.08 -0.44 114.38 114.55 1n33 h ARG 96 Ca -0.01 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1n33 h ARG 96 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.08 1n33 h ARG 96 CO 0.02 0.10 -0.26 0.00 0.00 0.00 0.00 179.97 179.83 1n33 h ALA 97 N 1.59 -0.88 -1.03 0.04 0.00 -1.45 -2.29 119.26 115.24 1n33 h ALA 97 Ca 0.75 -0.08 0.27 0.00 0.00 0.00 0.00 54.91 55.86 1n33 h ALA 97 Cb 2.29 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 20.58 1n33 h ALA 97 CO -0.37 -0.92 0.70 -0.07 0.00 0.00 0.00 179.25 178.59 1n33 h LEU 98 N -0.45 0.25 -1.26 0.00 3.38 -1.10 0.39 115.31 116.53 1n33 h LEU 98 Ca -0.02 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1n33 h LEU 98 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1n33 h LEU 98 CO -0.08 0.06 -0.17 1.56 0.09 0.00 0.00 178.44 179.90 1n33 h GLN 99 N 0.23 0.00 -2.34 1.13 4.20 -1.21 -3.29 115.11 113.83 1n33 h GLN 99 Ca 0.54 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.60 1n33 h GLN 99 Cb 1.67 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 29.06 1n33 h GLN 99 CO -0.16 0.17 -0.24 0.00 -0.67 0.00 0.00 178.83 177.93 1n33 n ALA 100 N -2.20 4.60 -1.57 3.87 0.00 0.14 -4.59 120.51 120.75 1n33 n ALA 100 Ca 0.00 -4.75 -0.02 0.00 0.00 0.00 0.00 53.44 48.67 1n33 n ALA 100 Cb 0.39 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 1n33 n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n33 n SER 101 N 0.54 -0.24 0.00 0.00 3.41 -1.24 -4.94 113.62 111.15 1n33 n SER 101 Ca 0.31 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1n33 n SER 101 Cb 0.38 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1n33 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n33 n GLY 102 N 0.00 0.12 1.11 5.00 0.00 -1.26 -4.87 105.19 105.28 1n33 n GLY 102 Ca -0.07 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1n33 n GLY 102 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1n33 n LEU 103 N 0.00 -0.88 -4.30 0.99 -0.00 -1.23 -4.72 117.00 106.85 1n33 n LEU 103 Ca 0.00 0.11 -0.40 0.00 -0.00 0.00 0.00 56.01 55.72 1n33 n LEU 103 Cb 0.00 -0.38 0.01 0.00 -0.00 0.00 0.00 43.42 43.05 1n33 n LEU 103 CO 0.00 -0.37 -0.45 1.67 -0.00 0.00 0.00 177.39 178.24 1n33 n GLN 104 N 0.76 0.11 -3.73 1.47 7.27 0.17 -4.63 117.38 118.78 1n33 n GLN 104 Ca 0.00 0.04 -0.36 0.00 0.07 0.00 0.00 57.00 56.75 1n33 n GLN 104 Cb 0.11 -1.13 -0.10 0.00 2.41 0.00 0.00 30.24 31.53 1n33 n GLN 104 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1n33 s VAL 105 N -1.85 3.59 0.00 1.69 1.01 -1.26 -1.56 120.40 122.02 1n33 s VAL 105 Ca 0.60 -2.71 0.00 0.00 0.00 0.00 0.00 61.98 59.86 1n33 s VAL 105 Cb -0.53 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1n33 s VAL 105 CO 0.63 -0.83 0.55 0.29 0.00 0.00 0.00 175.10 175.74 1n33 n LYS 106 N 3.79 0.00 -4.07 2.72 4.76 -0.15 -4.88 118.16 120.32 1n33 n LYS 106 Ca 0.05 0.48 -0.12 0.00 -2.87 0.00 0.00 58.31 55.85 1n33 n LYS 106 Cb 0.39 -1.05 -0.06 0.00 -1.84 0.00 0.00 35.03 32.47 1n33 n LYS 106 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1n33 s SER 107 N -2.87 0.30 -0.05 4.39 1.04 -1.26 -5.05 113.70 110.21 1n33 s SER 107 Ca 0.00 -1.22 0.05 0.00 0.48 0.00 0.00 55.95 55.26 1n33 s SER 107 Cb 0.00 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 1n33 s SER 107 CO 0.00 -1.13 -0.18 -0.63 0.98 0.00 0.00 173.24 172.28 1n33 s ILE 108 N -3.72 1.52 -0.22 -1.02 1.01 -1.26 -1.41 121.20 116.10 1n33 s ILE 108 Ca 0.29 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 1n33 s ILE 108 Cb 0.01 -1.30 0.07 0.00 0.01 0.00 0.00 42.46 41.25 1n33 s ILE 108 CO 0.13 0.43 0.05 -0.69 0.00 0.00 0.00 174.94 174.87 1n33 s VAL 109 N 0.01 0.54 -0.02 2.92 1.01 -0.86 -5.01 120.40 118.99 1n33 s VAL 109 Ca -0.04 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 1n33 s VAL 109 Cb -0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1n33 s VAL 109 CO 0.02 -0.31 1.13 -0.62 0.00 0.00 0.00 175.10 175.33 1n33 s ASP 110 N 1.84 7.15 -0.36 3.32 -1.08 -1.26 -2.05 116.67 124.23 1n33 s ASP 110 Ca 0.01 1.79 0.14 0.00 -0.52 0.00 0.00 52.55 53.97 1n33 s ASP 110 Cb -0.17 -2.57 0.45 0.00 -1.46 0.00 0.00 42.92 39.17 1n33 s ASP 110 CO -0.12 -0.47 1.01 -0.67 0.52 0.00 0.00 175.17 175.44 1n33 n ASP 111 N 4.59 2.60 -4.75 -0.34 2.03 0.69 -4.89 116.55 116.48 1n33 n ASP 111 Ca 0.09 -3.04 -0.42 0.00 0.52 0.00 0.00 54.79 51.94 1n33 n ASP 111 Cb 0.48 -0.50 -0.01 0.00 -0.72 0.00 0.00 41.12 40.36 1n33 n ASP 111 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1n33 n THR 112 N -0.23 1.22 -3.08 5.18 -1.04 -1.23 -4.80 114.28 110.30 1n33 n THR 112 Ca 0.20 -0.30 -0.40 0.00 -2.04 0.00 0.00 64.05 61.50 1n33 n THR 112 Cb 0.77 -1.98 -0.05 0.00 -1.82 0.00 0.00 70.33 67.25 1n33 n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1n33 s PRO 113 N -0.83 4.31 -0.08 -2.82 0.04 -1.26 -4.93 135.00 129.43 1n33 s PRO 113 Ca 0.62 0.75 0.01 0.00 0.04 0.00 0.00 61.00 62.42 1n33 s PRO 113 Cb -0.49 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 30.55 1n33 s PRO 113 CO 0.52 -0.11 -0.11 0.54 0.04 0.00 0.00 177.00 177.88 1n33 s VAL 114 N 1.43 1.12 0.45 -0.36 0.11 -1.26 -5.03 120.40 116.87 1n33 s VAL 114 Ca 0.33 -0.43 -0.23 0.00 -2.93 0.00 0.00 61.98 58.72 1n33 s VAL 114 Cb -0.16 -1.06 -0.08 0.00 -1.53 0.00 0.00 36.38 33.55 1n33 s VAL 114 CO 0.13 0.36 1.15 -2.16 -3.33 0.00 0.00 175.10 171.25 1n33 s PRO 115 N 1.02 3.83 -0.02 1.54 0.04 -1.26 -4.83 135.00 135.32 1n33 s PRO 115 Ca -0.08 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.65 1n33 s PRO 115 Cb -0.15 -2.43 -0.17 0.00 0.04 0.00 0.00 34.50 31.78 1n33 s PRO 115 CO -0.01 -0.48 3.13 0.72 0.04 0.00 0.00 177.00 180.40 1n33 n HIS 116 N -0.40 0.09 -2.76 0.56 8.25 -1.26 -4.66 115.22 115.03 1n33 n HIS 116 Ca 0.07 -1.39 -0.01 0.00 -0.26 0.00 0.00 57.72 56.13 1n33 n HIS 116 Cb 0.48 -1.28 0.00 0.00 1.12 0.00 0.00 29.99 30.31 1n33 n HIS 116 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1n33 n ASN 117 N 2.12 -7.94 0.00 0.41 5.15 -1.26 -5.09 115.26 108.65 1n33 n ASN 117 Ca 0.31 1.32 0.00 0.00 -0.60 0.00 0.00 54.58 55.61 1n33 n ASN 117 Cb 0.79 -5.08 0.00 0.00 -0.53 0.00 0.00 39.78 34.95 1n33 n ASN 117 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n33 n GLY 118 N 0.70 2.17 1.56 8.20 0.00 -1.26 -5.08 105.19 111.47 1n33 n GLY 118 Ca 0.01 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1n33 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n33 s ARG 120 N -0.07 3.48 0.41 0.00 3.52 -1.26 -4.95 118.95 120.07 1n33 s ARG 120 Ca 0.39 1.75 -0.26 0.00 -0.13 0.00 0.00 55.73 57.49 1n33 s ARG 120 Cb -0.55 -4.20 -0.10 0.00 -1.56 0.00 0.00 34.95 28.54 1n33 s ARG 120 CO 0.26 -1.69 1.24 -0.35 -0.81 0.00 0.00 175.30 173.94 1n33 n PRO 121 N 8.23 1.89 -0.64 5.12 -0.04 -1.26 -4.94 135.00 143.36 1n33 n PRO 121 Ca 0.23 0.67 -0.31 0.00 -0.04 0.00 0.00 63.50 64.06 1n33 n PRO 121 Cb 0.45 -2.33 0.18 0.00 -0.04 0.00 0.00 33.50 31.77 1n33 n PRO 121 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1n33 n LYS 122 N 0.15 -0.82 -0.05 0.54 2.85 -1.26 -4.52 118.16 115.04 1n33 n LYS 122 Ca 0.07 -0.18 -0.08 0.00 -1.05 0.00 0.00 58.31 57.06 1n33 n LYS 122 Cb 0.39 -2.31 -0.06 0.00 -0.65 0.00 0.00 35.03 32.40 1n33 n LYS 122 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1n33 h LYS 123 N -2.03 -0.25 0.00 -1.58 3.64 -1.96 0.82 116.57 115.20 1n33 h LYS 123 Ca -0.46 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1n33 h LYS 123 Cb 1.28 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1n33 h LYS 123 CO 0.42 -0.17 0.66 -0.22 -2.27 0.00 0.00 179.45 177.87 1n33 h LYS 124 N -0.26 0.00 -0.00 1.90 3.64 -2.04 0.43 116.57 120.23 1n33 h LYS 124 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1n33 h LYS 124 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1n33 h LYS 124 CO -0.31 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.06 1n33 n PHE 125 N -2.29 0.01 -0.77 1.91 3.01 0.21 -5.03 117.46 114.52 1n33 n PHE 125 Ca -0.01 -0.83 0.00 0.00 1.01 0.00 0.00 57.45 57.62 1n33 n PHE 125 Cb 0.67 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 1n33 n PHE 125 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1n33 n ARG 126 N -1.12 3.40 -0.91 -1.08 0.63 0.15 -4.78 116.66 112.95 1n33 n ARG 126 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1n33 n ARG 126 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1n33 n ARG 126 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1n33 n LYS 127 N 0.00 -0.26 0.00 -0.14 0.00 -1.26 -4.92 118.16 111.58 1n33 n LYS 127 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.37 1n33 n LYS 127 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 35.03 31.70 1n33 n LYS 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n33 n ALA 128 N 1.00 0.00 -0.51 3.14 0.00 -1.26 -5.27 120.51 117.62 1n33 n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n33 n ALA 128 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1n33 n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37