#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmc s ILE 2 N 0.00 2.85 -0.16 5.18 1.01 -1.26 -5.00 121.20 123.82 1nmc s ILE 2 Ca 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 60.65 61.15 1nmc s ILE 2 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1nmc s ILE 2 CO 0.00 0.04 0.08 -0.70 0.00 0.00 0.00 174.94 174.36 1nmc s GLU 3 N 1.38 3.77 -0.16 2.79 2.12 -1.26 -4.79 118.70 122.55 1nmc s GLU 3 Ca 0.69 -0.28 -0.05 0.00 0.36 0.00 0.00 54.97 55.69 1nmc s GLU 3 Cb -0.41 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1nmc s GLU 3 CO 0.31 0.45 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.96 1nmc s LEU 4 N -0.11 3.45 -0.19 2.70 1.43 -1.26 -1.84 118.68 122.86 1nmc s LEU 4 Ca 0.08 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1nmc s LEU 4 Cb -0.12 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1nmc s LEU 4 CO 0.01 0.19 -0.18 -0.89 0.23 0.00 0.00 176.35 175.71 1nmc s THR 5 N 0.27 2.18 -0.42 5.49 2.01 -0.74 -4.27 115.64 120.16 1nmc s THR 5 Ca -0.01 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 60.88 1nmc s THR 5 Cb -0.13 -1.95 0.03 0.00 0.01 0.00 0.00 72.50 70.45 1nmc s THR 5 CO 0.02 0.49 0.35 -1.10 -0.69 0.00 0.00 174.62 173.68 1nmc s GLN 6 N 1.29 3.00 0.43 4.92 -0.21 -1.26 -1.02 119.66 126.81 1nmc s GLN 6 Ca 0.04 -1.03 -0.26 0.00 0.02 0.00 0.00 55.36 54.14 1nmc s GLN 6 Cb -0.14 -4.01 -0.08 0.00 1.00 0.00 0.00 33.01 29.78 1nmc s GLN 6 CO -0.12 -0.82 1.37 -0.08 -2.12 0.00 0.00 175.29 173.52 1nmc s THR 7 N 1.77 2.32 0.12 -0.19 -1.32 -1.20 -4.60 115.64 112.54 1nmc s THR 7 Ca 0.06 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.83 1nmc s THR 7 Cb -0.20 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.63 1nmc s THR 7 CO 0.10 0.04 0.00 1.07 -2.21 0.00 0.00 174.62 173.62 1nmc n THR 8 N -0.05 -8.52 1.25 5.08 5.66 -1.26 -4.71 114.28 111.73 1nmc n THR 8 Ca 0.04 2.15 0.13 0.00 -3.05 0.00 0.00 64.05 63.33 1nmc n THR 8 Cb 0.43 -3.72 0.41 0.00 -1.55 0.00 0.00 70.33 65.90 1nmc n THR 8 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1nmc n SER 9 N 1.81 0.87 -3.98 1.09 3.41 -1.26 -4.66 113.62 110.90 1nmc n SER 9 Ca 0.00 -0.76 -0.15 0.00 -0.26 0.00 0.00 58.87 57.70 1nmc n SER 9 Cb 0.00 0.10 -0.14 0.00 -0.26 0.00 0.00 64.21 63.91 1nmc n SER 9 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1nmc s SER 10 N -2.54 0.67 -0.33 4.04 0.01 -1.26 0.98 113.70 115.27 1nmc s SER 10 Ca 0.24 -0.21 -0.00 0.00 1.31 0.00 0.00 55.95 57.29 1nmc s SER 10 Cb 0.19 -0.04 0.13 0.00 0.21 0.00 0.00 66.02 66.51 1nmc s SER 10 CO 0.53 -0.00 0.23 -0.22 0.41 0.00 0.00 173.24 174.19 1nmc s LEU 11 N -0.48 0.51 -0.20 2.44 2.96 0.41 -4.93 118.68 119.39 1nmc s LEU 11 Ca -0.01 -1.67 -0.27 0.00 -0.22 0.00 0.00 54.13 51.96 1nmc s LEU 11 Cb -0.04 -0.09 -0.00 0.00 0.50 0.00 0.00 46.19 46.56 1nmc s LEU 11 CO -0.00 -0.34 0.92 -0.44 -1.32 0.00 0.00 176.35 175.17 1nmc s SER 12 N 1.56 7.01 0.27 3.68 0.01 -1.25 -0.60 113.70 124.37 1nmc s SER 12 Ca 0.15 1.26 0.03 0.00 1.31 0.00 0.00 55.95 58.69 1nmc s SER 12 Cb -0.19 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1nmc s SER 12 CO -0.13 -0.52 0.21 0.00 0.41 0.00 0.00 173.24 173.20 1nmc s ALA 13 N 2.63 1.52 -0.04 1.44 0.00 0.60 -4.80 121.76 123.10 1nmc s ALA 13 Ca 0.41 -1.89 0.06 0.00 0.00 0.00 0.00 51.96 50.53 1nmc s ALA 13 Cb -0.16 1.44 -0.02 0.00 0.00 0.00 0.00 23.12 24.37 1nmc s ALA 13 CO 0.10 -0.63 -0.19 -1.54 0.00 0.00 0.00 175.76 173.50 1nmc s SER 14 N -3.27 3.61 0.25 0.00 1.04 -1.26 0.75 113.70 114.82 1nmc s SER 14 Ca 0.40 -0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.23 1nmc s SER 14 Cb 0.05 -0.63 -0.15 0.00 0.10 0.00 0.00 66.02 65.39 1nmc s SER 14 CO 0.20 0.33 0.94 -0.11 0.98 0.00 0.00 173.24 175.59 1nmc n LEU 15 N 2.37 1.14 0.00 2.42 0.00 -1.26 -2.25 117.00 119.41 1nmc n LEU 15 Ca -0.17 1.16 0.00 0.00 0.00 0.00 0.00 56.01 57.01 1nmc n LEU 15 Cb 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 43.42 42.73 1nmc n LEU 15 CO 0.24 -1.70 0.00 0.61 0.00 0.00 0.00 177.39 176.55 1nmc n GLY 16 N 1.51 2.98 0.57 -3.96 0.00 -0.63 -4.92 105.19 100.75 1nmc n GLY 16 Ca 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 1nmc n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nmc n ASP 17 N 0.26 -0.85 -3.92 1.61 5.68 -0.96 -3.88 116.55 114.49 1nmc n ASP 17 Ca 0.00 -0.73 -0.30 0.00 -0.50 0.00 0.00 54.79 53.25 1nmc n ASP 17 Cb 0.00 -0.16 -0.15 0.00 -1.14 0.00 0.00 41.12 39.67 1nmc n ASP 17 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1nmc s ARG 18 N -3.41 1.45 0.39 0.11 3.52 -1.08 -0.54 118.95 119.39 1nmc s ARG 18 Ca 0.11 -1.21 0.01 0.00 -0.13 0.00 0.00 55.73 54.52 1nmc s ARG 18 Cb -0.01 -2.63 -0.01 0.00 -1.56 0.00 0.00 34.95 30.74 1nmc s ARG 18 CO 0.09 -0.74 0.59 0.14 -0.81 0.00 0.00 175.30 174.57 1nmc s VAL 19 N 1.32 4.42 -0.17 7.11 -7.23 -0.94 -4.94 120.40 119.97 1nmc s VAL 19 Ca 0.00 -0.56 -0.04 0.00 -1.81 0.00 0.00 61.98 59.57 1nmc s VAL 19 Cb -0.19 -3.61 0.08 0.00 0.56 0.00 0.00 36.38 33.22 1nmc s VAL 19 CO -0.10 -0.39 0.24 -0.89 -0.31 0.00 0.00 175.10 173.65 1nmc s THR 20 N -2.41 -0.37 -0.08 5.32 2.01 -1.26 -2.34 115.64 116.51 1nmc s THR 20 Ca 0.45 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.49 1nmc s THR 20 Cb -0.10 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1nmc s THR 20 CO 0.36 -0.06 0.02 -0.51 -0.69 0.00 0.00 174.62 173.74 1nmc s ILE 21 N 2.37 4.43 0.23 1.82 1.10 -0.62 -4.96 121.20 125.56 1nmc s ILE 21 Ca 0.05 -0.25 0.10 0.00 -0.51 0.00 0.00 60.65 60.04 1nmc s ILE 21 Cb -0.14 -2.89 -0.05 0.00 0.15 0.00 0.00 42.46 39.53 1nmc s ILE 21 CO -0.11 0.57 -0.18 -0.44 -2.11 0.00 0.00 174.94 172.68 1nmc s SER 22 N -1.01 3.04 -0.01 4.50 0.01 -1.26 -1.04 113.70 117.93 1nmc s SER 22 Ca 0.15 -0.99 0.01 0.00 1.31 0.00 0.00 55.95 56.42 1nmc s SER 22 Cb -0.11 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1nmc s SER 22 CO 0.04 -0.05 -0.01 0.00 0.41 0.00 0.00 173.24 173.63 1nmc s ARG 24 N 0.19 1.66 0.04 0.00 3.52 -0.19 -2.16 118.95 122.01 1nmc s ARG 24 Ca -0.02 -0.39 -0.17 0.00 -0.13 0.00 0.00 55.73 55.03 1nmc s ARG 24 Cb -0.04 -1.43 -0.06 0.00 -1.56 0.00 0.00 34.95 31.87 1nmc s ARG 24 CO -0.01 -0.02 0.49 0.00 -0.81 0.00 0.00 175.30 174.95 1nmc s ALA 25 N 0.83 3.64 0.61 6.12 0.00 0.29 -1.79 121.76 131.47 1nmc s ALA 25 Ca -0.12 -0.09 0.43 0.00 0.00 0.00 0.00 51.96 52.18 1nmc s ALA 25 Cb -0.15 -2.51 2.32 0.00 0.00 0.00 0.00 23.12 22.78 1nmc s ALA 25 CO 0.02 0.44 2.31 0.66 0.00 0.00 0.00 175.76 179.19 1nmc h SER 26 N 4.60 0.00 -5.20 0.00 4.64 -1.70 -3.44 113.55 112.45 1nmc h SER 26 Ca -0.51 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.76 1nmc h SER 26 Cb 1.22 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.24 1nmc h SER 26 CO 0.62 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 176.57 1nmc s GLN 27 N -4.11 1.73 0.15 4.77 -2.07 -1.26 -4.98 119.66 113.89 1nmc s GLN 27 Ca -0.05 -1.29 -0.31 0.00 -1.82 0.00 0.00 55.36 51.89 1nmc s GLN 27 Cb 0.12 0.51 -0.10 0.00 -1.09 0.00 0.00 33.01 32.46 1nmc s GLN 27 CO 0.39 -0.75 1.56 0.34 -1.32 0.00 0.00 175.29 175.51 1nmc s ASP 28 N -3.03 6.60 -0.14 12.60 -1.08 -1.26 -4.56 116.67 125.80 1nmc s ASP 28 Ca 0.20 2.59 0.15 0.00 -0.52 0.00 0.00 52.55 54.97 1nmc s ASP 28 Cb -0.02 -2.59 0.31 0.00 -1.46 0.00 0.00 42.92 39.16 1nmc s ASP 28 CO 0.10 -0.82 1.16 2.30 0.52 0.00 0.00 175.17 178.44 1nmc n ILE 29 N 4.02 1.74 -3.68 4.11 -5.35 -1.16 -5.02 119.36 114.02 1nmc n ILE 29 Ca 0.14 -2.33 -0.21 0.00 -0.27 0.00 0.00 62.75 60.09 1nmc n ILE 29 Cb 0.39 -0.11 -0.06 0.00 -1.74 0.00 0.00 39.64 38.12 1nmc n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1nmc n SER 30 N -1.12 0.31 0.00 7.28 7.64 -1.26 -0.78 113.62 125.70 1nmc n SER 30 Ca 0.15 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1nmc n SER 30 Cb 0.69 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1nmc n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nmc n ASN 31 N -1.65 -1.39 -3.69 6.43 4.13 -1.26 -4.90 115.26 112.93 1nmc n ASN 31 Ca -0.20 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.65 1nmc n ASN 31 Cb 0.43 -1.37 -0.00 0.00 -1.54 0.00 0.00 39.78 37.30 1nmc n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1nmc n TYR 32 N -2.17 3.25 -3.93 3.10 4.01 0.04 -2.96 117.16 118.50 1nmc n TYR 32 Ca 0.00 -2.96 -0.14 0.00 -0.16 0.00 0.00 57.90 54.64 1nmc n TYR 32 Cb 0.07 -2.43 -0.15 0.00 -0.31 0.00 0.00 39.34 36.53 1nmc n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1nmc s LEU 33 N 1.39 1.73 0.30 7.72 0.20 -1.26 -2.23 118.68 126.53 1nmc s LEU 33 Ca 0.49 -0.02 0.07 0.00 0.69 0.00 0.00 54.13 55.36 1nmc s LEU 33 Cb 0.14 -0.11 -0.06 0.00 -0.43 0.00 0.00 46.19 45.73 1nmc s LEU 33 CO -0.07 -0.02 -0.05 0.20 -0.29 0.00 0.00 176.35 176.11 1nmc s ASN 34 N 0.30 2.97 -0.03 3.68 0.01 0.86 -1.22 114.94 121.51 1nmc s ASN 34 Ca -0.03 -1.21 0.05 0.00 -0.71 0.00 0.00 52.86 50.96 1nmc s ASN 34 Cb -0.05 -0.21 -0.01 0.00 0.41 0.00 0.00 41.25 41.40 1nmc s ASN 34 CO -0.01 -0.34 -0.17 0.26 -1.51 0.00 0.00 177.10 175.33 1nmc s TRP 35 N -2.94 1.64 0.17 2.20 0.52 -0.34 -0.79 118.94 119.39 1nmc s TRP 35 Ca 0.31 -0.41 0.08 0.00 0.02 0.00 0.00 56.10 56.09 1nmc s TRP 35 Cb 0.04 -1.09 -0.04 0.00 -1.15 0.00 0.00 33.47 31.23 1nmc s TRP 35 CO 0.13 -0.12 -0.17 0.71 0.02 0.00 0.00 176.95 177.52 1nmc s TYR 36 N -0.12 1.77 -0.23 -1.98 1.51 -0.20 -0.86 117.35 117.23 1nmc s TYR 36 Ca -0.00 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.59 1nmc s TYR 36 Cb -0.10 -0.88 0.05 0.00 -0.11 0.00 0.00 41.96 40.92 1nmc s TYR 36 CO 0.01 0.32 -0.12 -1.14 -1.11 0.00 0.00 175.55 173.51 1nmc s GLN 37 N -2.88 2.28 -0.35 -0.62 0.74 0.39 -1.62 119.66 117.60 1nmc s GLN 37 Ca 0.16 -1.12 -0.12 0.00 0.05 0.00 0.00 55.36 54.33 1nmc s GLN 37 Cb -0.05 -2.71 0.00 0.00 1.10 0.00 0.00 33.01 31.35 1nmc s GLN 37 CO 0.06 -0.48 0.21 -1.14 -0.55 0.00 0.00 175.29 173.40 1nmc s GLN 38 N 1.22 3.23 0.90 1.67 0.74 -0.53 -0.88 119.66 126.01 1nmc s GLN 38 Ca -0.05 -0.81 -0.11 0.00 0.05 0.00 0.00 55.36 54.44 1nmc s GLN 38 Cb -0.18 -3.74 0.13 0.00 1.10 0.00 0.00 33.01 30.33 1nmc s GLN 38 CO -0.07 -0.53 1.09 -0.80 -0.55 0.00 0.00 175.29 174.43 1nmc s ASN 39 N 1.65 3.36 0.00 6.67 -0.87 0.90 -2.07 114.94 124.59 1nmc s ASN 39 Ca 0.05 1.60 0.19 0.00 -1.57 0.00 0.00 52.86 53.12 1nmc s ASN 39 Cb -0.18 -2.26 0.97 0.00 -0.02 0.00 0.00 41.25 39.77 1nmc s ASN 39 CO 0.08 -2.72 1.57 -0.81 -2.57 0.00 0.00 177.10 172.65 1nmc n PRO 40 N -3.95 0.32 0.00 -0.60 -0.04 -1.26 -2.25 135.00 127.22 1nmc n PRO 40 Ca 0.07 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1nmc n PRO 40 Cb 0.55 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1nmc n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nmc n ASP 41 N -1.24 2.80 0.00 3.54 5.75 -1.26 -4.97 116.55 121.17 1nmc n ASP 41 Ca 0.10 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1nmc n ASP 41 Cb 0.14 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1nmc n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nmc n GLY 42 N 1.33 2.43 3.74 6.12 0.00 -0.95 -5.08 105.19 112.78 1nmc n GLY 42 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1nmc n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nmc s THR 43 N -2.34 2.02 -0.03 2.61 2.01 -1.26 -4.76 115.64 113.88 1nmc s THR 43 Ca 0.00 0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1nmc s THR 43 Cb 0.00 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 1nmc s THR 43 CO 0.00 0.00 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.04 1nmc s VAL 44 N 0.54 2.53 -0.00 3.82 1.01 -1.26 -0.07 120.40 126.97 1nmc s VAL 44 Ca 0.69 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1nmc s VAL 44 Cb -0.49 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 1nmc s VAL 44 CO 0.41 0.59 -0.02 -0.54 0.00 0.00 0.00 175.10 175.53 1nmc s LYS 45 N -0.66 0.17 -0.11 2.72 1.02 -0.06 -4.96 119.74 117.85 1nmc s LYS 45 Ca 0.10 -0.08 -0.26 0.00 0.02 0.00 0.00 55.97 55.76 1nmc s LYS 45 Cb -0.10 -0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.03 1nmc s LYS 45 CO -0.00 0.04 0.82 -1.17 -0.92 0.00 0.00 175.35 174.12 1nmc s LEU 46 N -0.07 4.25 -0.09 3.17 2.96 -1.26 -0.46 118.68 127.17 1nmc s LEU 46 Ca 0.01 1.27 -0.09 0.00 -0.22 0.00 0.00 54.13 55.09 1nmc s LEU 46 Cb -0.01 -3.26 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 1nmc s LEU 46 CO -0.00 -0.30 -0.17 0.18 -1.32 0.00 0.00 176.35 174.74 1nmc n LEU 47 N 4.63 1.01 -4.38 -0.68 4.77 -0.04 -4.63 117.00 117.66 1nmc n LEU 47 Ca 0.03 0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.93 1nmc n LEU 47 Cb 0.50 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.82 1nmc n LEU 47 CO 0.49 -0.39 -0.57 -0.63 -1.33 0.00 0.00 177.39 174.95 1nmc s ILE 48 N -1.95 2.24 -0.01 -0.08 -1.09 -1.21 -0.55 121.20 118.55 1nmc s ILE 48 Ca -0.14 -1.71 -0.02 0.00 -2.23 0.00 0.00 60.65 56.54 1nmc s ILE 48 Cb 0.02 -1.98 0.00 0.00 -1.58 0.00 0.00 42.46 38.92 1nmc s ILE 48 CO 0.21 0.12 0.05 -0.72 -1.23 0.00 0.00 174.94 173.37 1nmc s TYR 49 N -1.03 -0.00 -0.85 3.97 1.13 0.12 -1.20 117.35 119.49 1nmc s TYR 49 Ca 0.14 0.02 -0.00 0.00 -1.41 0.00 0.00 57.07 55.82 1nmc s TYR 49 Cb -0.10 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.74 1nmc s TYR 49 CO 0.06 -0.07 0.71 0.98 -2.51 0.00 0.00 175.55 174.71 1nmc n TYR 50 N 2.70 -1.56 0.00 -3.49 9.36 -1.09 -0.83 117.16 122.25 1nmc n TYR 50 Ca -0.15 0.66 0.00 0.00 3.32 0.00 0.00 57.90 61.73 1nmc n TYR 50 Cb 0.59 -4.15 0.00 0.00 -0.63 0.00 0.00 39.34 35.14 1nmc n TYR 50 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1nmc n THR 51 N -3.24 0.00 -1.47 2.97 -1.04 -0.35 -4.12 114.28 107.02 1nmc n THR 51 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1nmc n THR 51 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1nmc n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1nmc n SER 52 N 1.43 0.00 -4.74 8.00 3.41 -1.24 -2.73 113.62 117.73 1nmc n SER 52 Ca 0.00 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.21 1nmc n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1nmc n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1nmc s ASN 53 N 0.00 7.23 -0.03 4.04 0.01 -0.01 -4.71 114.94 121.46 1nmc s ASN 53 Ca 0.00 1.47 -0.19 0.00 -0.71 0.00 0.00 52.86 53.42 1nmc s ASN 53 Cb 0.00 -2.48 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 1nmc s ASN 53 CO 0.00 0.00 0.54 -0.76 -1.51 0.00 0.00 177.10 175.38 1nmc s LEU 54 N -0.01 4.39 0.56 0.60 1.02 -1.26 0.15 118.68 124.13 1nmc s LEU 54 Ca 0.39 1.05 -0.16 0.00 0.02 0.00 0.00 54.13 55.44 1nmc s LEU 54 Cb -0.21 -2.83 -0.05 0.00 0.02 0.00 0.00 46.19 43.13 1nmc s LEU 54 CO 0.23 0.11 1.03 -2.28 0.02 0.00 0.00 176.35 175.46 1nmc s HIS 55 N -0.11 3.15 0.26 0.29 5.65 0.28 -4.93 115.29 119.88 1nmc s HIS 55 Ca 0.29 1.50 -0.30 0.00 0.25 0.00 0.00 55.06 56.80 1nmc s HIS 55 Cb -0.17 -2.93 -0.14 0.00 -1.18 0.00 0.00 32.58 28.16 1nmc s HIS 55 CO 0.15 -0.84 1.27 -1.13 -0.65 0.00 0.00 174.74 173.53 1nmc n SER 56 N -1.83 2.27 -2.63 9.88 3.41 -1.26 -2.94 113.62 120.52 1nmc n SER 56 Ca 0.08 1.16 -0.19 0.00 -0.26 0.00 0.00 58.87 59.67 1nmc n SER 56 Cb 0.53 -1.38 0.04 0.00 -0.26 0.00 0.00 64.21 63.14 1nmc n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nmc n GLU 57 N 1.39 -4.58 -3.74 4.33 1.02 -1.26 -5.02 120.64 112.78 1nmc n GLU 57 Ca 0.10 0.74 -0.37 0.00 -0.02 0.00 0.00 57.16 57.61 1nmc n GLU 57 Cb 0.32 -5.29 -0.12 0.00 -0.02 0.00 0.00 31.44 26.33 1nmc n GLU 57 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1nmc s VAL 58 N -3.11 4.69 -0.26 2.62 1.01 -1.15 -5.04 120.40 119.17 1nmc s VAL 58 Ca 0.30 -0.04 -0.41 0.00 0.00 0.00 0.00 61.98 61.83 1nmc s VAL 58 Cb -0.13 -3.20 -0.17 0.00 0.00 0.00 0.00 36.38 32.88 1nmc s VAL 58 CO 0.37 0.33 1.63 -0.81 0.00 0.00 0.00 175.10 176.62 1nmc n PRO 59 N 4.77 0.88 0.00 2.72 -0.04 -1.26 -4.79 135.00 137.28 1nmc n PRO 59 Ca -0.16 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1nmc n PRO 59 Cb 0.52 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1nmc n PRO 59 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1nmc n SER 60 N 4.54 0.00 0.00 3.54 7.64 -1.26 -1.51 113.62 126.57 1nmc n SER 60 Ca 0.26 0.17 0.14 0.00 1.01 0.00 0.00 58.87 60.45 1nmc n SER 60 Cb 0.10 -0.17 0.66 0.00 -1.01 0.00 0.00 64.21 63.79 1nmc n SER 60 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1nmc n ARG 61 N -1.10 0.15 -3.44 1.43 1.85 -1.26 -4.72 116.66 109.58 1nmc n ARG 61 Ca 0.00 0.01 -0.38 0.00 -1.00 0.00 0.00 57.85 56.48 1nmc n ARG 61 Cb 0.08 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.93 1nmc n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1nmc s PHE 62 N -2.84 3.60 0.02 2.89 0.08 -0.57 -1.46 117.98 119.70 1nmc s PHE 62 Ca 0.19 0.88 -0.15 0.00 0.12 0.00 0.00 56.93 57.97 1nmc s PHE 62 Cb 0.19 -2.40 0.02 0.00 -0.57 0.00 0.00 43.02 40.27 1nmc s PHE 62 CO 0.50 0.39 0.32 -1.54 -0.10 0.00 0.00 175.22 174.79 1nmc s SER 63 N -0.15 -0.17 0.13 1.36 1.04 -0.24 -4.99 113.70 110.68 1nmc s SER 63 Ca 0.23 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.60 1nmc s SER 63 Cb -0.15 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1nmc s SER 63 CO 0.10 -0.56 -0.01 -0.83 0.98 0.00 0.00 173.24 172.92 1nmc s GLY 64 N -1.80 0.96 0.17 7.32 0.00 -1.26 -0.12 107.32 112.59 1nmc s GLY 64 Ca -0.08 -1.46 -0.24 0.00 0.00 0.00 0.00 44.72 42.94 1nmc s GLY 64 CO -0.00 -1.45 0.97 -1.35 0.00 0.00 0.00 173.10 171.26 1nmc s SER 65 N -3.08 -0.14 0.00 1.64 1.04 -0.35 -4.45 113.70 108.36 1nmc s SER 65 Ca 0.19 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1nmc s SER 65 Cb 0.06 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1nmc s SER 65 CO -0.01 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1nmc n GLY 66 N -0.52 0.70 3.61 7.32 0.00 -1.26 -0.19 105.19 114.86 1nmc n GLY 66 Ca -0.06 -1.89 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 1nmc n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nmc s SER 67 N -0.83 -0.14 1.76 1.61 1.04 -0.22 -4.96 113.70 111.96 1nmc s SER 67 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1nmc s SER 67 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1nmc s SER 67 CO 0.00 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1nmc n GLY 68 N -0.27 1.34 0.00 7.32 0.00 -1.26 -1.72 105.19 110.60 1nmc n GLY 68 Ca -0.04 0.44 0.05 0.00 0.00 0.00 0.00 46.02 46.47 1nmc n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nmc n THR 69 N 0.00 0.00 -4.20 2.61 -2.24 -1.26 -2.98 114.28 106.21 1nmc n THR 69 Ca 0.00 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1nmc n THR 69 Cb 0.00 0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 1nmc n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nmc s ASP 70 N -2.65 4.87 0.07 3.42 1.01 -0.70 -0.54 116.67 122.15 1nmc s ASP 70 Ca -0.00 -0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.12 1nmc s ASP 70 Cb 0.07 -1.82 -0.04 0.00 1.01 0.00 0.00 42.92 42.15 1nmc s ASP 70 CO 0.44 0.11 -0.06 -0.31 0.21 0.00 0.00 175.17 175.56 1nmc s TYR 71 N 0.71 0.76 0.05 4.23 1.51 -0.92 -1.05 117.35 122.64 1nmc s TYR 71 Ca -0.01 -0.81 -0.10 0.00 -1.01 0.00 0.00 57.07 55.14 1nmc s TYR 71 Cb -0.14 -0.45 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 1nmc s TYR 71 CO 0.02 -0.17 0.20 -1.12 -1.11 0.00 0.00 175.55 173.38 1nmc s SER 72 N -2.59 0.04 -0.04 2.29 0.01 0.74 -1.77 113.70 112.38 1nmc s SER 72 Ca 0.04 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 56.92 1nmc s SER 72 Cb 0.01 0.31 -0.00 0.00 0.21 0.00 0.00 66.02 66.55 1nmc s SER 72 CO -0.04 -0.61 -0.18 -0.22 0.41 0.00 0.00 173.24 172.60 1nmc s LEU 73 N -2.29 1.95 -0.05 2.44 2.96 -0.21 -1.22 118.68 122.26 1nmc s LEU 73 Ca -0.02 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1nmc s LEU 73 Cb 0.01 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.68 1nmc s LEU 73 CO -0.06 0.17 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.13 1nmc s THR 74 N -0.02 1.12 -0.34 3.68 2.01 0.82 -1.59 115.64 121.32 1nmc s THR 74 Ca -0.03 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 1nmc s THR 74 Cb -0.11 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.47 1nmc s THR 74 CO 0.02 0.34 0.06 -0.63 -0.69 0.00 0.00 174.62 173.73 1nmc s ILE 75 N 0.44 2.86 0.07 1.82 1.01 -0.99 -1.08 121.20 125.33 1nmc s ILE 75 Ca -0.10 -1.80 -0.21 0.00 0.00 0.00 0.00 60.65 58.54 1nmc s ILE 75 Cb -0.13 -2.83 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 1nmc s ILE 75 CO 0.03 -0.37 1.34 0.28 0.00 0.00 0.00 174.94 176.22 1nmc h SER 76 N 7.92 -1.07 -3.11 3.58 0.02 -1.52 -2.50 113.55 116.86 1nmc h SER 76 Ca -0.15 0.13 -0.58 0.00 -0.84 0.00 0.00 61.79 60.34 1nmc h SER 76 Cb 1.05 0.42 -0.40 0.00 0.14 0.00 0.00 62.40 63.60 1nmc h SER 76 CO 0.57 -0.31 -0.77 0.20 -1.14 0.00 0.00 176.83 175.39 1nmc s ASN 77 N -3.97 3.66 0.35 3.07 -0.87 -1.18 -2.65 114.94 113.35 1nmc s ASN 77 Ca -0.10 -1.99 -0.24 0.00 -1.57 0.00 0.00 52.86 48.96 1nmc s ASN 77 Cb 0.04 -0.77 -0.14 0.00 -0.02 0.00 0.00 41.25 40.36 1nmc s ASN 77 CO 0.38 -0.35 0.53 0.18 -2.57 0.00 0.00 177.10 175.27 1nmc n LEU 78 N 4.36 -0.51 -4.53 0.60 4.32 0.30 -4.66 117.00 116.87 1nmc n LEU 78 Ca 0.03 0.99 -0.25 0.00 -0.02 0.00 0.00 56.01 56.76 1nmc n LEU 78 Cb 0.39 -1.06 -0.10 0.00 -1.62 0.00 0.00 43.42 41.03 1nmc n LEU 78 CO 0.15 -2.90 -0.26 -1.61 -1.22 0.00 0.00 177.39 171.55 1nmc s GLU 79 N -1.34 1.83 0.31 3.23 2.02 -1.26 -1.60 118.70 121.89 1nmc s GLU 79 Ca 0.62 -2.06 0.08 0.00 0.02 0.00 0.00 54.97 53.63 1nmc s GLU 79 Cb -0.70 -1.06 0.52 0.00 0.10 0.00 0.00 34.13 32.99 1nmc s GLU 79 CO 0.59 -0.23 1.73 0.37 0.02 0.00 0.00 175.26 177.74 1nmc h GLN 80 N 1.90 0.17 0.00 1.61 5.75 -2.01 -2.77 115.11 119.76 1nmc h GLN 80 Ca -0.41 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1nmc h GLN 80 Cb 1.26 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.80 1nmc h GLN 80 CO 0.70 0.55 0.00 -0.85 -2.65 0.00 0.00 178.83 176.58 1nmc n GLU 81 N -4.04 0.67 -0.12 1.69 0.00 -1.26 -2.86 120.64 114.71 1nmc n GLU 81 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.24 1nmc n GLU 81 Cb 0.46 -1.50 0.30 0.00 0.00 0.00 0.00 31.44 30.70 1nmc n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1nmc n ASP 82 N -1.00 1.91 -4.59 -1.84 8.00 -1.04 -4.81 116.55 113.18 1nmc n ASP 82 Ca 0.16 -1.82 -0.42 0.00 0.71 0.00 0.00 54.79 53.41 1nmc n ASP 82 Cb 0.07 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 1nmc n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nmc s ILE 83 N -1.67 3.95 0.09 0.53 1.01 -1.14 -4.90 121.20 119.07 1nmc s ILE 83 Ca 0.31 0.90 -0.11 0.00 0.00 0.00 0.00 60.65 61.74 1nmc s ILE 83 Cb 0.16 -4.46 0.04 0.00 0.01 0.00 0.00 42.46 38.21 1nmc s ILE 83 CO 0.24 -1.06 0.55 0.00 0.00 0.00 0.00 174.94 174.67 1nmc n ALA 84 N 8.80 -1.44 -2.74 9.38 0.00 -1.24 -4.55 120.51 128.72 1nmc n ALA 84 Ca 0.13 -0.53 -0.34 0.00 0.00 0.00 0.00 53.44 52.70 1nmc n ALA 84 Cb 0.49 0.29 -0.12 0.00 0.00 0.00 0.00 19.45 20.11 1nmc n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nmc s THR 85 N -2.29 3.72 -0.09 0.00 2.01 -0.88 -1.42 115.64 116.69 1nmc s THR 85 Ca 0.12 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1nmc s THR 85 Cb -0.01 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1nmc s THR 85 CO 0.03 0.56 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.09 1nmc s TYR 86 N -0.37 2.82 0.11 4.92 1.51 -0.66 -1.45 117.35 124.22 1nmc s TYR 86 Ca 0.05 -0.33 0.09 0.00 -1.01 0.00 0.00 57.07 55.87 1nmc s TYR 86 Cb -0.12 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1nmc s TYR 86 CO 0.02 0.03 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.21 1nmc s PHE 87 N -0.21 1.92 0.08 2.71 0.08 -0.64 -1.28 117.98 120.65 1nmc s PHE 87 Ca 0.01 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.73 1nmc s PHE 87 Cb -0.13 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.23 1nmc s PHE 87 CO 0.03 0.23 -0.14 0.00 -0.10 0.00 0.00 175.22 175.24 1nmc s GLN 89 N -1.91 0.37 0.16 0.00 -0.44 0.03 0.87 119.66 118.74 1nmc s GLN 89 Ca 0.18 -0.31 0.07 0.00 -2.50 0.00 0.00 55.36 52.80 1nmc s GLN 89 Cb -0.11 0.15 -0.04 0.00 -1.64 0.00 0.00 33.01 31.37 1nmc s GLN 89 CO 0.10 -0.08 0.00 1.14 0.50 0.00 0.00 175.29 176.95 1nmc s GLN 90 N -1.06 2.45 -0.20 1.67 1.03 -0.70 -0.10 119.66 122.74 1nmc s GLN 90 Ca -0.12 -1.04 0.20 0.00 0.04 0.00 0.00 55.36 54.44 1nmc s GLN 90 Cb -0.06 -2.40 0.43 0.00 0.03 0.00 0.00 33.01 31.00 1nmc s GLN 90 CO 0.01 0.47 1.20 -0.40 -2.54 0.00 0.00 175.29 174.03 1nmc n ASP 91 N 0.01 0.61 0.10 12.60 5.68 -0.95 -3.92 116.55 130.69 1nmc n ASP 91 Ca -0.10 -2.06 -0.17 0.00 -0.50 0.00 0.00 54.79 51.97 1nmc n ASP 91 Cb 0.54 -0.14 -0.14 0.00 -1.14 0.00 0.00 41.12 40.25 1nmc n ASP 91 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1nmc h PHE 92 N 1.74 0.54 -3.18 2.11 3.57 -1.84 -3.48 116.94 116.40 1nmc h PHE 92 Ca -0.26 -0.39 -0.08 0.00 3.53 0.00 0.00 57.97 60.77 1nmc h PHE 92 Cb 1.41 -0.02 -0.16 0.00 2.79 0.00 0.00 35.95 39.97 1nmc h PHE 92 CO 0.26 1.33 -0.16 -0.08 -2.23 0.00 0.00 178.31 177.43 1nmc s THR 93 N -2.64 0.07 0.20 4.41 -1.32 -1.26 -5.12 115.64 109.97 1nmc s THR 93 Ca -0.05 -0.57 -0.10 0.00 -1.21 0.00 0.00 61.69 59.76 1nmc s THR 93 Cb 0.07 -0.97 -0.07 0.00 -1.51 0.00 0.00 72.50 70.02 1nmc s THR 93 CO 0.89 -0.31 0.52 -0.76 -2.21 0.00 0.00 174.62 172.75 1nmc s LEU 94 N -2.11 4.22 0.53 9.08 1.43 -1.26 -4.14 118.68 126.43 1nmc s LEU 94 Ca -0.04 0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 53.81 1nmc s LEU 94 Cb -0.00 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.62 1nmc s LEU 94 CO -0.04 -0.01 1.01 -2.16 0.23 0.00 0.00 176.35 175.38 1nmc s PRO 95 N -2.57 3.77 0.38 1.29 0.04 -1.26 -5.03 135.00 131.62 1nmc s PRO 95 Ca 0.44 1.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.25 1nmc s PRO 95 Cb -0.12 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 1nmc s PRO 95 CO 0.21 -0.42 1.33 -0.06 0.04 0.00 0.00 177.00 178.10 1nmc s PHE 96 N -2.54 2.84 0.02 0.56 0.08 -1.26 -4.83 117.98 112.84 1nmc s PHE 96 Ca 0.61 1.38 0.03 0.00 0.12 0.00 0.00 56.93 59.06 1nmc s PHE 96 Cb -0.12 -3.72 -0.01 0.00 -0.57 0.00 0.00 43.02 38.59 1nmc s PHE 96 CO 0.32 -2.16 -0.09 0.95 -0.10 0.00 0.00 175.22 174.14 1nmc s THR 97 N -1.21 0.72 0.33 0.64 -4.23 -1.25 -5.03 115.64 105.62 1nmc s THR 97 Ca 0.54 -0.66 0.08 0.00 -1.18 0.00 0.00 61.69 60.47 1nmc s THR 97 Cb -0.40 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 1nmc s THR 97 CO 0.52 0.01 0.18 -0.36 -0.54 0.00 0.00 174.62 174.44 1nmc s PHE 98 N -0.60 2.78 0.77 3.99 0.40 -1.26 -1.72 117.98 122.33 1nmc s PHE 98 Ca -0.00 -0.35 -0.06 0.00 -0.60 0.00 0.00 56.93 55.93 1nmc s PHE 98 Cb -0.06 -1.67 0.12 0.00 0.51 0.00 0.00 43.02 41.93 1nmc s PHE 98 CO 0.00 0.31 1.07 0.20 0.70 0.00 0.00 175.22 177.50 1nmc s GLY 99 N -3.89 1.75 0.37 4.36 0.00 0.25 -4.47 107.32 105.69 1nmc s GLY 99 Ca 0.38 -1.39 0.27 0.00 0.00 0.00 0.00 44.72 43.99 1nmc s GLY 99 CO 0.24 -0.83 1.80 -1.33 0.00 0.00 0.00 173.10 172.99 1nmc h GLY 100 N -0.79 0.00 0.00 0.20 0.00 -1.88 -3.44 103.07 97.17 1nmc h GLY 100 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1nmc h GLY 100 CO 0.45 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1nmc n GLY 101 N 0.28 -0.38 2.64 4.60 0.00 -1.26 -5.02 105.19 106.06 1nmc n GLY 101 Ca 0.02 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 1nmc n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nmc s THR 102 N -3.02 -0.13 -0.13 2.61 2.01 -0.40 -4.52 115.64 112.06 1nmc s THR 102 Ca 0.00 -0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 1nmc s THR 102 Cb 0.00 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1nmc s THR 102 CO 0.00 -0.21 1.29 -0.75 -0.69 0.00 0.00 174.62 174.26 1nmc s LYS 103 N 2.17 4.25 -0.31 4.92 2.36 0.28 -1.66 119.74 131.74 1nmc s LYS 103 Ca 0.03 1.72 -0.10 0.00 -2.55 0.00 0.00 55.97 55.07 1nmc s LYS 103 Cb -0.15 -3.74 -0.01 0.00 -1.05 0.00 0.00 37.83 32.88 1nmc s LYS 103 CO -0.09 -0.67 0.16 -1.17 1.55 0.00 0.00 175.35 175.13 1nmc s LEU 104 N 3.30 4.15 -0.18 5.43 2.96 -0.50 -0.45 118.68 133.39 1nmc s LEU 104 Ca 0.57 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1nmc s LEU 104 Cb -0.23 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.46 1nmc s LEU 104 CO 0.17 -0.20 -0.19 -1.83 -1.32 0.00 0.00 176.35 172.98 1nmc s GLU 105 N 1.62 3.02 -0.90 1.98 1.03 0.23 -3.73 118.70 121.94 1nmc s GLU 105 Ca 0.05 -0.82 -0.24 0.00 0.03 0.00 0.00 54.97 53.98 1nmc s GLU 105 Cb -0.17 -2.57 -0.02 0.00 -0.80 0.00 0.00 34.13 30.56 1nmc s GLU 105 CO 0.06 -0.18 1.83 0.42 -1.33 0.00 0.00 175.26 176.07 1nmc s ILE 106 N 1.22 3.54 -0.27 1.83 1.01 -1.25 -0.29 121.20 126.99 1nmc s ILE 106 Ca 0.03 -0.40 -0.39 0.00 0.00 0.00 0.00 60.65 59.89 1nmc s ILE 106 Cb -0.13 -4.23 -0.15 0.00 0.01 0.00 0.00 42.46 37.96 1nmc s ILE 106 CO -0.11 -1.16 1.79 -1.14 0.00 0.00 0.00 174.94 174.33 1nmc n ARG 107 N 8.89 1.24 0.07 2.79 3.00 0.23 -4.86 116.66 128.02 1nmc n ARG 107 Ca 0.37 0.45 -0.13 0.00 -0.00 0.00 0.00 57.85 58.54 1nmc n ARG 107 Cb 0.48 -2.17 -0.08 0.00 0.00 0.00 0.00 32.46 30.68 1nmc n ARG 107 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1nmc h ASP 108 N 7.75 -0.18 0.00 6.15 3.58 -1.90 -3.45 116.42 128.36 1nmc h ASP 108 Ca -0.45 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 56.68 1nmc h ASP 108 Cb 1.32 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.41 1nmc h ASP 108 CO 0.97 0.25 0.00 0.00 -2.88 0.00 0.00 179.24 177.58