#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nmc s VAL 2 N 0.00 2.21 -0.15 -0.39 1.01 -1.26 -3.91 120.40 117.92 1nmc s VAL 2 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1nmc s VAL 2 Cb 0.00 -3.10 0.06 0.00 0.00 0.00 0.00 36.38 33.33 1nmc s VAL 2 CO 0.00 0.02 0.35 -1.58 0.00 0.00 0.00 175.10 173.89 1nmc s GLN 3 N 0.39 0.32 -0.24 2.72 0.74 -0.23 -4.97 119.66 118.40 1nmc s GLN 3 Ca 0.68 0.71 0.02 0.00 0.05 0.00 0.00 55.36 56.82 1nmc s GLN 3 Cb -0.47 -0.04 0.05 0.00 1.10 0.00 0.00 33.01 33.65 1nmc s GLN 3 CO 0.39 -0.17 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.34 1nmc s LEU 4 N 1.43 3.00 -0.19 3.68 1.43 -1.26 -1.62 118.68 125.15 1nmc s LEU 4 Ca -0.09 -1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 51.75 1nmc s LEU 4 Cb -0.09 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1nmc s LEU 4 CO -0.11 -0.17 -0.03 0.00 0.23 0.00 0.00 176.35 176.27 1nmc s GLN 5 N 1.21 3.57 0.33 1.70 0.00 -0.21 -4.31 119.66 121.95 1nmc s GLN 5 Ca -0.06 -0.55 0.05 0.00 -0.00 0.00 0.00 55.36 54.80 1nmc s GLN 5 Cb -0.19 -3.00 -0.01 0.00 0.00 0.00 0.00 33.01 29.81 1nmc s GLN 5 CO -0.06 0.04 0.48 -0.65 0.00 0.00 0.00 175.29 175.09 1nmc s GLN 6 N 0.90 3.19 1.17 9.60 -0.21 -1.26 -0.40 119.66 132.65 1nmc s GLN 6 Ca 0.00 -0.87 -0.18 0.00 0.02 0.00 0.00 55.36 54.33 1nmc s GLN 6 Cb -0.14 -2.79 0.27 0.00 1.00 0.00 0.00 33.01 31.34 1nmc s GLN 6 CO 0.02 0.09 1.11 -1.54 -2.12 0.00 0.00 175.29 172.85 1nmc s SER 7 N -4.14 1.17 0.80 5.90 1.04 -0.99 -4.99 113.70 112.49 1nmc s SER 7 Ca 0.43 0.71 -0.10 0.00 0.48 0.00 0.00 55.95 57.48 1nmc s SER 7 Cb -0.09 -1.02 0.11 0.00 0.10 0.00 0.00 66.02 65.11 1nmc s SER 7 CO 0.32 -3.97 1.13 -0.83 0.98 0.00 0.00 173.24 170.86 1nmc s GLY 8 N -3.83 1.69 0.48 7.32 0.00 -1.26 -4.65 107.32 107.07 1nmc s GLY 8 Ca 0.70 -0.99 -0.24 0.00 0.00 0.00 0.00 44.72 44.18 1nmc s GLY 8 CO 0.56 -0.46 1.42 0.00 0.00 0.00 0.00 173.10 174.62 1nmc n ALA 9 N -3.22 1.97 -3.08 3.20 0.00 -1.26 -4.71 120.51 113.41 1nmc n ALA 9 Ca 0.10 0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.44 1nmc n ALA 9 Cb 0.60 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 1nmc n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nmc s GLU 10 N -2.56 3.27 -0.27 0.00 0.41 -0.03 -4.99 118.70 114.54 1nmc s GLU 10 Ca 0.64 -0.73 -0.03 0.00 -0.41 0.00 0.00 54.97 54.44 1nmc s GLU 10 Cb -0.44 -2.54 0.02 0.00 -1.78 0.00 0.00 34.13 29.39 1nmc s GLU 10 CO 0.55 0.23 -0.02 -0.51 -0.49 0.00 0.00 175.26 175.02 1nmc s LEU 11 N 0.29 3.43 0.12 1.80 1.43 -1.26 -0.64 118.68 123.85 1nmc s LEU 11 Ca -0.12 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 1nmc s LEU 11 Cb -0.16 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1nmc s LEU 11 CO 0.06 -0.16 -0.10 -0.69 0.23 0.00 0.00 176.35 175.70 1nmc s VAL 12 N 1.36 1.01 0.18 -1.59 1.01 -0.21 -4.99 120.40 117.18 1nmc s VAL 12 Ca 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 61.98 60.10 1nmc s VAL 12 Cb -0.17 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 1nmc s VAL 12 CO -0.02 -0.68 0.40 -0.75 0.00 0.00 0.00 175.10 174.04 1nmc s LYS 13 N -3.34 3.56 0.28 2.72 2.47 -1.25 -1.07 119.74 123.11 1nmc s LYS 13 Ca 0.11 -0.22 -0.30 0.00 -1.56 0.00 0.00 55.97 54.01 1nmc s LYS 13 Cb 0.01 -2.83 -0.13 0.00 -1.46 0.00 0.00 37.83 33.42 1nmc s LYS 13 CO -0.00 0.41 1.34 -2.30 0.16 0.00 0.00 175.35 174.96 1nmc n PRO 14 N -0.39 2.04 -0.12 4.03 -0.02 -1.26 -2.20 135.00 137.08 1nmc n PRO 14 Ca -0.04 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1nmc n PRO 14 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1nmc n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nmc n GLY 15 N 1.54 0.71 3.96 -1.23 0.00 0.58 -4.94 105.19 105.82 1nmc n GLY 15 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1nmc n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nmc s ALA 16 N -2.38 3.22 0.11 4.61 0.00 -0.93 -4.49 121.76 121.90 1nmc s ALA 16 Ca 0.00 -1.33 0.06 0.00 0.00 0.00 0.00 51.96 50.70 1nmc s ALA 16 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1nmc s ALA 16 CO 0.00 -1.57 -0.16 -1.12 0.00 0.00 0.00 175.76 172.91 1nmc s SER 17 N -4.68 2.11 0.07 0.00 0.01 -1.26 -0.51 113.70 109.44 1nmc s SER 17 Ca 0.65 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1nmc s SER 17 Cb -0.07 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 1nmc s SER 17 CO 0.46 -0.08 -0.05 0.54 0.41 0.00 0.00 173.24 174.52 1nmc s VAL 18 N -1.77 0.43 -0.09 3.43 0.11 -0.51 -4.99 120.40 117.01 1nmc s VAL 18 Ca 0.07 -1.72 -0.03 0.00 -2.93 0.00 0.00 61.98 57.37 1nmc s VAL 18 Cb -0.07 -1.40 0.04 0.00 -1.53 0.00 0.00 36.38 33.42 1nmc s VAL 18 CO 0.04 -0.85 0.06 -0.60 -3.33 0.00 0.00 175.10 170.41 1nmc s ARG 19 N -3.47 0.09 0.25 1.54 3.52 -1.26 -1.84 118.95 117.78 1nmc s ARG 19 Ca 0.06 0.16 0.09 0.00 -0.13 0.00 0.00 55.73 55.90 1nmc s ARG 19 Cb 0.04 -1.05 -0.04 0.00 -1.56 0.00 0.00 34.95 32.34 1nmc s ARG 19 CO -0.06 -0.44 0.03 0.00 -0.81 0.00 0.00 175.30 174.02 1nmc s MET 20 N 2.12 2.43 0.31 5.12 0.23 -0.32 -4.94 119.30 124.24 1nmc s MET 20 Ca 0.04 -1.29 0.09 0.00 -1.03 0.00 0.00 55.69 53.49 1nmc s MET 20 Cb -0.14 -2.27 -0.06 0.00 -1.53 0.00 0.00 34.83 30.83 1nmc s MET 20 CO -0.05 0.39 -0.09 -1.54 -2.03 0.00 0.00 175.02 171.69 1nmc s SER 21 N -3.56 3.29 -0.26 -1.18 1.04 -1.26 -1.50 113.70 110.27 1nmc s SER 21 Ca 0.31 -1.17 -0.03 0.00 0.48 0.00 0.00 55.95 55.54 1nmc s SER 21 Cb -0.07 -0.26 0.10 0.00 0.10 0.00 0.00 66.02 65.89 1nmc s SER 21 CO 0.21 -0.23 0.19 0.00 0.98 0.00 0.00 173.24 174.38 1nmc s LYS 23 N 2.23 4.12 0.30 0.00 2.36 0.47 -1.63 119.74 127.59 1nmc s LYS 23 Ca 0.08 0.61 -0.06 0.00 -2.55 0.00 0.00 55.97 54.05 1nmc s LYS 23 Cb -0.15 -3.65 -0.05 0.00 -1.05 0.00 0.00 37.83 32.92 1nmc s LYS 23 CO -0.27 -0.44 0.58 0.00 1.55 0.00 0.00 175.35 176.77 1nmc s ALA 24 N 2.57 3.58 -0.10 3.13 0.00 -0.51 -1.05 121.76 129.38 1nmc s ALA 24 Ca 0.28 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1nmc s ALA 24 Cb -0.15 -2.36 0.11 0.00 0.00 0.00 0.00 23.12 20.71 1nmc s ALA 24 CO 0.08 0.21 0.88 -1.54 0.00 0.00 0.00 175.76 175.40 1nmc s SER 25 N -3.14 -0.46 0.00 0.00 1.04 -0.64 -4.90 113.70 105.60 1nmc s SER 25 Ca 0.45 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1nmc s SER 25 Cb -0.11 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1nmc s SER 25 CO 0.30 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1nmc n GLY 26 N 0.64 0.68 3.70 7.32 0.00 -1.25 -1.06 105.19 115.21 1nmc n GLY 26 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1nmc n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nmc s TYR 27 N -2.18 -0.31 -0.89 1.61 -0.85 -1.26 -4.23 117.35 109.24 1nmc s TYR 27 Ca 0.00 -0.05 -0.25 0.00 -0.52 0.00 0.00 57.07 56.25 1nmc s TYR 27 Cb 0.00 0.65 0.04 0.00 0.38 0.00 0.00 41.96 43.04 1nmc s TYR 27 CO 0.00 -1.08 1.36 0.99 -1.52 0.00 0.00 175.55 175.30 1nmc s THR 28 N -3.83 3.85 0.33 -3.49 2.01 -1.26 -4.91 115.64 108.34 1nmc s THR 28 Ca 0.08 -0.25 0.08 0.00 0.31 0.00 0.00 61.69 61.91 1nmc s THR 28 Cb -0.04 -4.99 0.37 0.00 0.01 0.00 0.00 72.50 67.86 1nmc s THR 28 CO -0.00 -1.89 1.59 0.15 -0.69 0.00 0.00 174.62 173.78 1nmc h PHE 29 N 9.88 0.33 0.00 4.92 3.57 -1.98 -0.58 116.94 133.09 1nmc h PHE 29 Ca -0.02 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1nmc h PHE 29 Cb 1.03 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1nmc h PHE 29 CO 1.21 -0.40 0.00 0.25 -2.23 0.00 0.00 178.31 177.14 1nmc n THR 30 N -5.36 0.44 0.90 4.41 -2.24 -1.26 -3.08 114.28 108.09 1nmc n THR 30 Ca 0.28 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 62.28 1nmc n THR 30 Cb 0.92 -0.83 0.09 0.00 -2.10 0.00 0.00 70.33 68.42 1nmc n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1nmc n ASN 31 N -1.26 2.77 -4.18 3.42 3.02 -0.22 -3.39 115.26 115.42 1nmc n ASN 31 Ca 0.09 -1.89 -0.24 0.00 -0.03 0.00 0.00 54.58 52.51 1nmc n ASN 31 Cb 0.13 0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.16 1nmc n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nmc s TYR 32 N -1.81 1.58 0.46 3.10 1.51 -1.18 -3.15 117.35 117.86 1nmc s TYR 32 Ca 0.25 -0.32 -0.23 0.00 -1.01 0.00 0.00 57.07 55.75 1nmc s TYR 32 Cb 0.18 -0.99 -0.07 0.00 -0.11 0.00 0.00 41.96 40.97 1nmc s TYR 32 CO 0.28 0.01 1.21 -0.80 -1.11 0.00 0.00 175.55 175.14 1nmc s ASN 33 N -0.71 6.11 -0.19 2.29 0.01 0.17 -4.47 114.94 118.16 1nmc s ASN 33 Ca 0.06 2.42 -0.00 0.00 -0.71 0.00 0.00 52.86 54.63 1nmc s ASN 33 Cb -0.07 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 38.98 1nmc s ASN 33 CO 0.00 -0.96 -0.15 -0.32 -1.51 0.00 0.00 177.10 174.16 1nmc s MET 34 N -2.61 3.13 0.22 -0.60 1.75 -0.46 -1.99 119.30 118.75 1nmc s MET 34 Ca 0.63 -0.76 0.06 0.00 -1.25 0.00 0.00 55.69 54.36 1nmc s MET 34 Cb -0.32 -2.70 -0.04 0.00 2.84 0.00 0.00 34.83 34.62 1nmc s MET 34 CO 0.39 -0.18 0.22 0.71 -0.65 0.00 0.00 175.02 175.52 1nmc s TYR 35 N 1.28 3.22 -0.01 4.11 2.02 -0.03 -2.23 117.35 125.71 1nmc s TYR 35 Ca 0.04 -0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.73 1nmc s TYR 35 Cb -0.14 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1nmc s TYR 35 CO -0.08 0.50 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.67 1nmc s TRP 36 N -1.99 1.38 0.07 2.71 0.52 -1.14 -1.60 118.94 118.91 1nmc s TRP 36 Ca 0.33 -0.26 0.04 0.00 0.02 0.00 0.00 56.10 56.23 1nmc s TRP 36 Cb -0.09 -0.89 -0.03 0.00 -1.15 0.00 0.00 33.47 31.31 1nmc s TRP 36 CO 0.26 -0.02 -0.12 0.08 0.02 0.00 0.00 176.95 177.16 1nmc s VAL 37 N -0.36 0.98 -0.05 4.03 1.01 -0.43 -0.22 120.40 125.36 1nmc s VAL 37 Ca 0.06 -1.35 0.06 0.00 0.00 0.00 0.00 61.98 60.75 1nmc s VAL 37 Cb -0.06 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1nmc s VAL 37 CO -0.01 -0.33 -0.23 -0.75 0.00 0.00 0.00 175.10 173.78 1nmc s LYS 38 N -1.97 2.29 -0.11 2.72 2.20 0.64 -1.44 119.74 124.07 1nmc s LYS 38 Ca -0.01 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1nmc s LYS 38 Cb -0.08 -1.98 0.02 0.00 -1.51 0.00 0.00 37.83 34.28 1nmc s LYS 38 CO 0.02 0.36 -0.10 -1.14 -0.36 0.00 0.00 175.35 174.13 1nmc s GLN 39 N -0.16 1.75 0.17 4.03 0.74 -0.29 -0.43 119.66 125.46 1nmc s GLN 39 Ca -0.02 -0.36 -0.03 0.00 0.05 0.00 0.00 55.36 55.00 1nmc s GLN 39 Cb -0.13 -1.66 -0.03 0.00 1.10 0.00 0.00 33.01 32.29 1nmc s GLN 39 CO 0.03 -0.19 0.14 -1.54 -0.55 0.00 0.00 175.29 173.18 1nmc s SER 40 N 1.41 0.19 0.22 6.67 1.04 -1.05 -0.98 113.70 121.20 1nmc s SER 40 Ca 0.00 -1.22 -0.30 0.00 0.48 0.00 0.00 55.95 54.92 1nmc s SER 40 Cb -0.13 0.36 -0.09 0.00 0.10 0.00 0.00 66.02 66.26 1nmc s SER 40 CO -0.06 -0.81 1.17 -2.84 0.98 0.00 0.00 173.24 171.67 1nmc s PRO 41 N -4.08 4.54 -1.05 4.02 0.02 -1.26 -2.43 135.00 134.76 1nmc s PRO 41 Ca 0.29 1.86 -0.13 0.00 0.02 0.00 0.00 61.00 63.03 1nmc s PRO 41 Cb 0.06 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 1nmc s PRO 41 CO 0.06 0.01 0.81 0.41 -0.33 0.00 0.00 177.00 177.95 1nmc n GLY 42 N 1.83 -1.09 0.00 0.52 0.00 -1.26 -4.68 105.19 100.50 1nmc n GLY 42 Ca 0.02 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1nmc n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nmc n GLN 43 N -3.56 0.00 0.00 1.61 -0.06 -1.25 -5.16 117.38 108.96 1nmc n GLN 43 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.91 1nmc n GLN 43 Cb 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 1nmc n GLN 43 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nmc n GLY 44 N 0.00 -0.49 3.69 1.69 0.00 -1.02 -4.82 105.19 104.24 1nmc n GLY 44 Ca 0.00 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 1nmc n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nmc s LEU 45 N 0.00 4.22 -0.03 0.99 1.43 -1.26 -2.52 118.68 121.51 1nmc s LEU 45 Ca 0.00 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 1nmc s LEU 45 Cb 0.00 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1nmc s LEU 45 CO 0.00 -0.19 -0.10 -1.61 0.23 0.00 0.00 176.35 174.68 1nmc s GLU 46 N 1.41 1.07 0.11 1.70 2.02 0.43 -4.96 118.70 120.48 1nmc s GLU 46 Ca 0.31 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.67 1nmc s GLU 46 Cb -0.16 -0.98 -0.06 0.00 0.10 0.00 0.00 34.13 33.03 1nmc s GLU 46 CO 0.13 0.11 1.00 -0.46 0.02 0.00 0.00 175.26 176.06 1nmc s TRP 47 N 0.24 3.74 -0.19 1.61 -0.00 -1.26 -0.26 118.94 122.81 1nmc s TRP 47 Ca -0.04 1.73 -0.15 0.00 -0.00 0.00 0.00 56.10 57.64 1nmc s TRP 47 Cb -0.09 -3.12 -0.09 0.00 -0.00 0.00 0.00 33.47 30.17 1nmc s TRP 47 CO 0.01 -0.03 -0.18 -0.89 -0.00 0.00 0.00 176.95 175.85 1nmc n ILE 48 N 2.89 1.49 -3.33 5.86 5.41 0.69 -4.66 119.36 127.71 1nmc n ILE 48 Ca 0.03 0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1nmc n ILE 48 Cb 0.49 -2.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 1nmc n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1nmc n GLY 49 N 1.46 1.03 3.06 7.39 0.00 -1.24 -0.54 105.19 116.36 1nmc n GLY 49 Ca -0.24 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 1nmc n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nmc s ILE 50 N -2.28 0.04 -0.05 -0.61 -1.16 0.21 -2.86 121.20 114.49 1nmc s ILE 50 Ca 0.00 -0.31 0.00 0.00 -0.51 0.00 0.00 60.65 59.83 1nmc s ILE 50 Cb 0.00 -0.31 0.02 0.00 0.61 0.00 0.00 42.46 42.78 1nmc s ILE 50 CO 0.00 -0.17 -0.02 0.12 -2.81 0.00 0.00 174.94 172.06 1nmc s PHE 51 N -0.57 0.63 -0.38 3.50 2.19 -0.94 -2.16 117.98 120.24 1nmc s PHE 51 Ca -0.07 -0.15 -0.04 0.00 0.33 0.00 0.00 56.93 57.01 1nmc s PHE 51 Cb -0.04 -0.66 0.09 0.00 -1.31 0.00 0.00 43.02 41.10 1nmc s PHE 51 CO 0.01 -0.23 0.17 -0.47 1.83 0.00 0.00 175.22 176.53 1nmc s TYR 52 N 1.31 3.46 -0.71 10.12 5.04 -0.50 -1.35 117.35 134.72 1nmc s TYR 52 Ca -0.05 -2.10 0.07 0.00 -2.44 0.00 0.00 57.07 52.54 1nmc s TYR 52 Cb -0.13 -2.90 0.38 0.00 0.35 0.00 0.00 41.96 39.65 1nmc s TYR 52 CO -0.02 -0.91 1.20 -0.35 -1.34 0.00 0.00 175.55 174.14 1nmc n PRO 52 N 4.67 0.04 -0.08 4.97 -0.04 -1.26 -0.35 135.00 142.95 1nmc n PRO 52 Ca -0.06 0.54 -0.10 0.00 -0.04 0.00 0.00 63.50 63.83 1nmc n PRO 52 Cb 0.42 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 1nmc n PRO 52 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1nmc h GLY 53 N 0.00 0.40 0.00 0.55 0.00 -1.85 -3.39 103.07 98.79 1nmc h GLY 53 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1nmc h GLY 53 CO 0.00 0.21 0.00 1.16 0.00 0.00 0.00 176.54 177.91 1nmc n ASN 54 N -4.78 0.28 0.00 0.19 0.23 -1.04 -5.03 115.26 105.10 1nmc n ASN 54 Ca -0.03 -0.72 0.00 0.00 -0.53 0.00 0.00 54.58 53.30 1nmc n ASN 54 Cb 0.13 0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1nmc n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nmc n GLY 55 N 0.15 0.74 3.76 4.83 0.00 0.53 -5.05 105.19 110.15 1nmc n GLY 55 Ca 0.00 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1nmc n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nmc s ASP 56 N -2.14 5.30 0.08 1.61 2.15 -1.21 -4.77 116.67 117.69 1nmc s ASP 56 Ca 0.00 2.32 -0.11 0.00 0.43 0.00 0.00 52.55 55.19 1nmc s ASP 56 Cb 0.00 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 1nmc s ASP 56 CO 0.00 -1.51 0.25 0.42 -0.17 0.00 0.00 175.17 174.16 1nmc s THR 57 N -1.67 0.11 -0.06 1.71 -4.23 -1.26 -1.41 115.64 108.83 1nmc s THR 57 Ca 0.76 -0.93 -0.24 0.00 -1.18 0.00 0.00 61.69 60.10 1nmc s THR 57 Cb -0.28 -1.17 0.05 0.00 1.34 0.00 0.00 72.50 72.44 1nmc s THR 57 CO 0.32 -0.51 0.54 -0.44 -0.54 0.00 0.00 174.62 173.99 1nmc s SER 58 N -2.59 -0.49 0.26 3.99 0.01 -0.92 -4.97 113.70 108.99 1nmc s SER 58 Ca 0.01 0.56 0.05 0.00 1.31 0.00 0.00 55.95 57.88 1nmc s SER 58 Cb 0.02 0.54 -0.06 0.00 0.21 0.00 0.00 66.02 66.74 1nmc s SER 58 CO -0.09 -0.50 -0.02 -0.31 0.41 0.00 0.00 173.24 172.73 1nmc s TYR 59 N -1.04 1.76 -0.08 2.43 1.51 -1.26 -0.61 117.35 120.05 1nmc s TYR 59 Ca -0.10 -0.83 -0.25 0.00 -1.01 0.00 0.00 57.07 54.87 1nmc s TYR 59 Cb -0.02 -1.02 -0.03 0.00 -0.11 0.00 0.00 41.96 40.77 1nmc s TYR 59 CO 0.07 0.10 0.80 1.21 -1.11 0.00 0.00 175.55 176.62 1nmc s ASN 60 N -3.38 7.06 0.36 2.29 3.84 0.30 -4.93 114.94 120.50 1nmc s ASN 60 Ca 0.29 1.29 0.17 0.00 0.21 0.00 0.00 52.86 54.82 1nmc s ASN 60 Cb 0.05 -2.46 1.12 0.00 -0.55 0.00 0.00 41.25 39.42 1nmc s ASN 60 CO 0.10 -0.23 1.68 -0.61 -2.79 0.00 0.00 177.10 175.26 1nmc h GLN 61 N 6.94 0.32 -0.87 0.43 -0.00 -1.95 0.48 115.11 120.45 1nmc h GLN 61 Ca -0.38 -0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.32 1nmc h GLN 61 Cb 1.18 -0.07 -0.06 0.00 0.00 0.00 0.00 27.48 28.53 1nmc h GLN 61 CO 0.78 0.21 0.57 -0.22 0.00 0.00 0.00 178.83 180.16 1nmc h LYS 62 N 0.33 0.95 -0.03 1.69 3.64 -1.95 -3.01 116.57 118.18 1nmc h LYS 62 Ca 0.71 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1nmc h LYS 62 Cb 1.74 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1nmc h LYS 62 CO -0.51 0.63 -0.01 1.19 -2.27 0.00 0.00 179.45 178.48 1nmc n PHE 63 N -4.49 0.00 -2.54 1.91 3.72 0.16 -4.84 117.46 111.38 1nmc n PHE 63 Ca 0.13 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.11 1nmc n PHE 63 Cb 0.20 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 1nmc n PHE 63 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1nmc s LYS 64 N -2.01 4.34 0.00 -1.08 2.47 -0.83 -2.10 119.74 120.53 1nmc s LYS 64 Ca 0.28 1.55 0.00 0.00 -1.56 0.00 0.00 55.97 56.24 1nmc s LYS 64 Cb 0.20 -3.60 0.00 0.00 -1.46 0.00 0.00 37.83 32.97 1nmc s LYS 64 CO 0.30 -0.48 0.00 -0.25 0.16 0.00 0.00 175.35 175.09 1nmc n ASP 65 N 5.53 0.00 -0.07 1.43 8.00 -1.26 -4.88 116.55 125.30 1nmc n ASP 65 Ca 0.11 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.39 1nmc n ASP 65 Cb 0.47 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.44 1nmc n ASP 65 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1nmc n LYS 66 N -0.02 0.65 -4.20 -1.24 3.00 -0.89 -4.99 118.16 110.47 1nmc n LYS 66 Ca 0.00 0.39 -0.26 0.00 -0.00 0.00 0.00 58.31 58.44 1nmc n LYS 66 Cb 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 35.03 33.27 1nmc n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nmc s ALA 67 N -2.47 3.27 -0.09 3.14 0.00 -0.91 -4.18 121.76 120.52 1nmc s ALA 67 Ca -0.28 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.26 1nmc s ALA 67 Cb 0.07 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.20 1nmc s ALA 67 CO 0.65 0.44 0.06 0.99 0.00 0.00 0.00 175.76 177.90 1nmc s THR 68 N -1.84 -0.04 -0.03 0.00 2.01 -0.51 -4.84 115.64 110.40 1nmc s THR 68 Ca 0.29 0.18 -0.20 0.00 0.31 0.00 0.00 61.69 62.28 1nmc s THR 68 Cb -0.09 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1nmc s THR 68 CO 0.20 0.03 0.56 -0.76 -0.69 0.00 0.00 174.62 173.95 1nmc s LEU 69 N 2.13 4.39 0.20 4.42 1.02 -1.26 -2.28 118.68 127.30 1nmc s LEU 69 Ca 0.04 1.07 -0.13 0.00 0.02 0.00 0.00 54.13 55.14 1nmc s LEU 69 Cb -0.13 -2.85 0.00 0.00 0.02 0.00 0.00 46.19 43.23 1nmc s LEU 69 CO -0.05 0.10 0.41 -0.89 0.02 0.00 0.00 176.35 175.94 1nmc s THR 70 N -0.09 0.03 0.19 5.49 2.01 -1.02 -5.04 115.64 117.23 1nmc s THR 70 Ca 0.29 -1.21 -0.21 0.00 0.31 0.00 0.00 61.69 60.87 1nmc s THR 70 Cb -0.17 -1.87 0.05 0.00 0.01 0.00 0.00 72.50 70.51 1nmc s THR 70 CO 0.15 -0.15 0.59 0.00 -0.69 0.00 0.00 174.62 174.52 1nmc s ALA 71 N -3.95 -1.32 -0.32 7.40 0.00 -1.26 -0.32 121.76 121.99 1nmc s ALA 71 Ca 0.16 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.27 1nmc s ALA 71 Cb 0.01 0.86 0.10 0.00 0.00 0.00 0.00 23.12 24.08 1nmc s ALA 71 CO 0.02 -0.83 0.05 0.34 0.00 0.00 0.00 175.76 175.34 1nmc s ASP 72 N -2.82 4.50 0.51 0.00 -1.08 0.13 -4.95 116.67 112.97 1nmc s ASP 72 Ca 0.05 -1.93 0.17 0.00 -0.52 0.00 0.00 52.55 50.32 1nmc s ASP 72 Cb -0.02 -1.40 1.27 0.00 -1.46 0.00 0.00 42.92 41.32 1nmc s ASP 72 CO -0.06 -0.37 2.13 0.11 0.52 0.00 0.00 175.17 177.50 1nmc h LYS 73 N 7.76 0.00 0.14 4.34 1.57 -1.96 -1.19 116.57 127.24 1nmc h LYS 73 Ca -0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1nmc h LYS 73 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1nmc h LYS 73 CO 0.50 0.03 -0.07 0.66 -0.57 0.00 0.00 179.45 180.00 1nmc h SER 74 N 0.00 -0.16 -0.01 0.86 4.64 -1.94 -3.17 113.55 113.77 1nmc h SER 74 Ca -0.00 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1nmc h SER 74 Cb 0.05 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1nmc h SER 74 CO 0.00 0.32 0.00 -1.54 -0.87 0.00 0.00 176.83 174.74 1nmc n SER 75 N -4.96 0.24 -3.77 4.97 3.41 -1.18 -4.90 113.62 107.44 1nmc n SER 75 Ca -0.08 -1.16 -0.25 0.00 -0.26 0.00 0.00 58.87 57.11 1nmc n SER 75 Cb 0.26 -0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1nmc n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1nmc n ASN 76 N -0.77 -3.56 -4.25 4.04 5.03 -0.50 -4.80 115.26 110.45 1nmc n ASN 76 Ca 0.21 -0.75 -0.29 0.00 0.87 0.00 0.00 54.58 54.62 1nmc n ASN 76 Cb 0.14 -4.18 -0.16 0.00 -1.02 0.00 0.00 39.78 34.56 1nmc n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1nmc s THR 77 N -3.44 1.83 0.07 3.41 2.01 -0.89 -1.42 115.64 117.21 1nmc s THR 77 Ca 0.38 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.46 1nmc s THR 77 Cb -0.18 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1nmc s THR 77 CO 0.80 0.52 -0.10 0.00 -0.69 0.00 0.00 174.62 175.15 1nmc s ALA 78 N -0.46 2.91 0.17 7.40 0.00 -0.64 0.22 121.76 131.36 1nmc s ALA 78 Ca 0.07 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1nmc s ALA 78 Cb -0.10 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 1nmc s ALA 78 CO -0.00 0.62 -0.10 0.71 0.00 0.00 0.00 175.76 177.00 1nmc s TYR 79 N -1.12 1.39 -0.07 0.00 2.02 0.57 -1.06 117.35 119.08 1nmc s TYR 79 Ca 0.19 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 56.12 1nmc s TYR 79 Cb -0.11 -0.71 0.04 0.00 -0.40 0.00 0.00 41.96 40.79 1nmc s TYR 79 CO 0.11 0.12 0.15 1.41 -1.57 0.00 0.00 175.55 175.77 1nmc s MET 80 N -3.74 0.07 -0.10 -0.62 -2.45 -0.56 -2.43 119.30 109.47 1nmc s MET 80 Ca 0.19 0.44 0.01 0.00 -1.25 0.00 0.00 55.69 55.08 1nmc s MET 80 Cb 0.02 -0.21 -0.02 0.00 1.25 0.00 0.00 34.83 35.87 1nmc s MET 80 CO 0.03 -0.22 -0.11 -1.14 1.05 0.00 0.00 175.02 174.63 1nmc s GLN 81 N 1.57 3.08 0.39 4.11 0.74 -0.97 -1.18 119.66 127.41 1nmc s GLN 81 Ca -0.05 -0.65 0.08 0.00 0.05 0.00 0.00 55.36 54.79 1nmc s GLN 81 Cb -0.12 -2.59 -0.06 0.00 1.10 0.00 0.00 33.01 31.34 1nmc s GLN 81 CO -0.06 0.40 0.07 -0.51 -0.55 0.00 0.00 175.29 174.64 1nmc s LEU 82 N -0.12 2.98 0.00 3.68 1.43 -0.77 -1.42 118.68 124.46 1nmc s LEU 82 Ca -0.01 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 1nmc s LEU 82 Cb -0.13 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1nmc s LEU 82 CO 0.03 -0.43 0.00 -1.20 0.23 0.00 0.00 176.35 174.98 1nmc n SER 82 N -1.06 0.00 -4.69 2.29 7.64 -1.08 -1.42 113.62 115.30 1nmc n SER 82 Ca -0.03 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.41 1nmc n SER 82 Cb 0.65 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.83 1nmc n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1nmc n LEU 82 N -0.70 3.47 -4.30 -3.43 4.32 0.33 -4.65 117.00 112.05 1nmc n LEU 82 Ca 0.00 1.15 -0.17 0.00 -0.02 0.00 0.00 56.01 56.97 1nmc n LEU 82 Cb 0.00 -1.48 -0.10 0.00 -1.62 0.00 0.00 43.42 40.22 1nmc n LEU 82 CO 0.00 -0.32 -0.43 0.28 -1.22 0.00 0.00 177.39 175.70 1nmc s THR 83 N -0.14 1.47 0.45 -5.08 -1.32 -1.26 -0.30 115.64 109.45 1nmc s THR 83 Ca 0.66 -2.11 0.33 0.00 -1.21 0.00 0.00 61.69 59.36 1nmc s THR 83 Cb -0.60 -1.92 0.33 0.00 -1.51 0.00 0.00 72.50 68.79 1nmc s THR 83 CO 0.51 -0.65 2.00 0.77 -2.21 0.00 0.00 174.62 175.04 1nmc h SER 84 N 2.73 0.00 0.49 8.08 4.64 -1.96 0.23 113.55 127.76 1nmc h SER 84 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1nmc h SER 84 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1nmc h SER 84 CO 0.62 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.96 1nmc n GLU 85 N -2.77 0.13 0.00 4.77 4.71 -1.26 -2.02 120.64 124.20 1nmc n GLU 85 Ca -0.02 0.43 0.12 0.00 -0.01 0.00 0.00 57.16 57.68 1nmc n GLU 85 Cb 0.19 -1.78 0.22 0.00 -1.01 0.00 0.00 31.44 29.06 1nmc n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1nmc n ASP 86 N -2.03 1.44 -4.67 1.62 8.00 0.81 -4.88 116.55 116.84 1nmc n ASP 86 Ca 0.02 -1.15 -0.42 0.00 0.71 0.00 0.00 54.79 53.94 1nmc n ASP 86 Cb 0.16 0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 1nmc n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nmc s SER 87 N -2.49 6.64 0.00 -2.24 0.01 -0.86 -4.82 113.70 109.94 1nmc s SER 87 Ca 0.22 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.83 1nmc s SER 87 Cb 0.19 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1nmc s SER 87 CO 0.54 -0.91 0.00 0.00 0.41 0.00 0.00 173.24 173.28 1nmc n ALA 88 N 6.51 0.00 -2.82 1.44 0.00 -0.86 -4.84 120.51 119.94 1nmc n ALA 88 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 1nmc n ALA 88 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.72 1nmc n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nmc s VAL 89 N -2.09 2.58 -0.09 0.00 1.01 -0.16 -1.86 120.40 119.80 1nmc s VAL 89 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1nmc s VAL 89 Cb 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1nmc s VAL 89 CO 0.00 0.56 -0.18 -0.31 0.00 0.00 0.00 175.10 175.17 1nmc s TYR 90 N -0.09 2.65 0.27 5.22 1.51 0.42 -1.14 117.35 126.18 1nmc s TYR 90 Ca -0.04 -0.61 0.12 0.00 -1.01 0.00 0.00 57.07 55.52 1nmc s TYR 90 Cb -0.14 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.95 1nmc s TYR 90 CO 0.04 -0.15 -0.20 0.71 -1.11 0.00 0.00 175.55 174.83 1nmc s TYR 91 N -0.04 2.27 -0.06 2.71 2.02 -0.52 -0.72 117.35 123.01 1nmc s TYR 91 Ca -0.05 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 1nmc s TYR 91 Cb -0.14 -1.00 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 1nmc s TYR 91 CO 0.04 0.69 -0.14 0.00 -1.57 0.00 0.00 175.55 174.57 1nmc s ALA 93 N 0.55 2.14 0.02 0.00 0.00 -0.63 -0.98 121.76 122.88 1nmc s ALA 93 Ca -0.13 -1.85 0.04 0.00 0.00 0.00 0.00 51.96 50.02 1nmc s ALA 93 Cb -0.15 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1nmc s ALA 93 CO 0.04 -0.13 -0.07 0.50 0.00 0.00 0.00 175.76 176.09 1nmc s ARG 94 N -3.77 2.48 -0.16 0.00 3.52 -0.54 -0.85 118.95 119.63 1nmc s ARG 94 Ca 0.29 -0.78 -0.29 0.00 -0.13 0.00 0.00 55.73 54.82 1nmc s ARG 94 Cb 0.04 -2.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.94 1nmc s ARG 94 CO 0.10 0.58 1.50 0.45 -0.81 0.00 0.00 175.30 177.13 1nmc s SER 95 N -1.57 6.66 0.58 -2.12 0.15 -0.84 -1.84 113.70 114.72 1nmc s SER 95 Ca 0.18 1.81 0.34 0.00 0.70 0.00 0.00 55.95 58.98 1nmc s SER 95 Cb -0.11 -2.53 1.74 0.00 -1.71 0.00 0.00 66.02 63.41 1nmc s SER 95 CO 0.09 -0.99 2.15 1.23 1.20 0.00 0.00 173.24 176.92 1nmc h GLY 96 N 10.57 0.00 -3.55 9.45 0.00 -0.50 -2.00 103.07 117.04 1nmc h GLY 96 Ca -0.33 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.73 1nmc h GLY 96 CO 0.98 0.00 0.34 0.61 0.00 0.00 0.00 176.54 178.47 1nmc n GLY 97 N -0.68 3.63 7.00 4.60 0.00 -0.71 -4.92 105.19 114.10 1nmc n GLY 97 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1nmc n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nmc n SER 98 N -0.33 0.00 -0.53 1.61 3.41 -0.75 -1.07 113.62 115.96 1nmc n SER 98 Ca 0.41 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1nmc n SER 98 Cb 1.35 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 65.50 1nmc n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nmc n TYR 99 N 0.00 0.00 -2.71 7.33 0.18 -1.19 -0.65 117.16 120.12 1nmc n TYR 99 Ca 0.00 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.54 1nmc n TYR 99 Cb 0.00 -0.03 0.02 0.00 -0.38 0.00 0.00 39.34 38.95 1nmc n TYR 99 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1nmc s ARG 100 N -2.31 2.97 -0.73 -3.48 0.52 -0.23 -4.88 118.95 110.81 1nmc s ARG 100 Ca 0.25 -0.30 -0.01 0.00 -0.52 0.00 0.00 55.73 55.15 1nmc s ARG 100 Cb 0.19 -2.43 0.39 0.00 0.52 0.00 0.00 34.95 33.62 1nmc s ARG 100 CO 0.46 -0.48 1.91 0.66 0.02 0.00 0.00 175.30 177.88 1nmc n TYR 100 N -2.31 3.09 -3.53 -0.53 4.02 -1.26 -4.51 117.16 112.13 1nmc n TYR 100 Ca 0.03 -2.61 -0.14 0.00 -0.01 0.00 0.00 57.90 55.17 1nmc n TYR 100 Cb 0.58 -1.14 -0.12 0.00 -0.02 0.00 0.00 39.34 38.64 1nmc n TYR 100 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1nmc s ASP 100 N -1.65 0.69 1.26 7.72 1.47 -1.26 -5.08 116.67 119.83 1nmc s ASP 100 Ca 0.56 0.22 -0.15 0.00 1.18 0.00 0.00 52.55 54.35 1nmc s ASP 100 Cb 0.46 0.70 0.23 0.00 -0.34 0.00 0.00 42.92 43.97 1nmc s ASP 100 CO -0.25 -0.29 0.63 0.61 0.68 0.00 0.00 175.17 176.56 1nmc n GLY 100 N 5.34 -3.43 3.38 2.12 0.00 -1.26 -1.75 105.19 109.60 1nmc n GLY 100 Ca -0.05 -1.35 -0.45 0.00 0.00 0.00 0.00 46.02 44.17 1nmc n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nmc s PHE 100 N -1.95 3.09 -0.15 1.61 0.40 -1.26 0.15 117.98 119.87 1nmc s PHE 100 Ca 0.45 -0.90 0.19 0.00 -0.60 0.00 0.00 56.93 56.07 1nmc s PHE 100 Cb -0.07 -3.73 0.36 0.00 0.51 0.00 0.00 43.02 40.10 1nmc s PHE 100 CO 0.37 -1.11 1.58 0.38 0.70 0.00 0.00 175.22 177.15 1nmc h ASP 101 N 9.02 0.00 -3.42 1.36 3.04 -1.67 -3.46 116.42 121.30 1nmc h ASP 101 Ca -0.29 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.25 1nmc h ASP 101 Cb 1.09 0.00 -0.32 0.00 -1.04 0.00 0.00 39.33 39.06 1nmc h ASP 101 CO 1.02 0.31 -0.62 -0.31 -2.04 0.00 0.00 179.24 177.61 1nmc s TYR 102 N -3.20 -0.14 0.30 4.15 2.02 -1.26 -5.00 117.35 114.22 1nmc s TYR 102 Ca 0.04 0.45 0.10 0.00 -0.37 0.00 0.00 57.07 57.28 1nmc s TYR 102 Cb 0.08 -0.12 -0.05 0.00 -0.40 0.00 0.00 41.96 41.47 1nmc s TYR 102 CO 0.70 -0.17 -0.03 -1.58 -1.57 0.00 0.00 175.55 172.90 1nmc s TRP 103 N 1.25 2.56 0.65 2.71 0.52 -1.26 -1.46 118.94 123.90 1nmc s TRP 103 Ca -0.08 -0.33 -0.02 0.00 0.02 0.00 0.00 56.10 55.69 1nmc s TRP 103 Cb -0.12 -1.27 0.07 0.00 -1.15 0.00 0.00 33.47 31.00 1nmc s TRP 103 CO -0.06 0.58 0.92 0.20 0.02 0.00 0.00 176.95 178.61 1nmc s GLY 104 N -3.66 1.77 0.00 0.98 0.00 -0.15 -4.64 107.32 101.62 1nmc s GLY 104 Ca 0.33 -1.32 0.28 0.00 0.00 0.00 0.00 44.72 44.01 1nmc s GLY 104 CO 0.19 -0.91 1.94 -1.06 0.00 0.00 0.00 173.10 173.26 1nmc n GLN 105 N -2.68 0.22 0.00 2.90 1.13 -1.26 -4.77 117.38 112.91 1nmc n GLN 105 Ca 0.10 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1nmc n GLN 105 Cb 0.60 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.45 1nmc n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nmc n GLY 106 N 1.24 0.28 3.18 1.08 0.00 -1.26 -5.04 105.19 104.67 1nmc n GLY 106 Ca 0.10 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1nmc n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nmc s THR 107 N -2.53 1.72 -0.18 2.61 2.01 0.10 -4.91 115.64 114.46 1nmc s THR 107 Ca 0.00 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 1nmc s THR 107 Cb 0.00 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1nmc s THR 107 CO 0.00 0.49 0.16 0.42 -0.69 0.00 0.00 174.62 175.00 1nmc s THR 108 N 0.15 5.40 -0.16 -0.82 -4.23 -1.26 -0.44 115.64 114.28 1nmc s THR 108 Ca -0.09 0.27 -0.01 0.00 -1.18 0.00 0.00 61.69 60.67 1nmc s THR 108 Cb -0.14 -3.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.19 1nmc s THR 108 CO 0.05 0.45 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.78 1nmc s VAL 109 N 0.23 3.16 -0.32 2.29 1.01 -0.78 -0.85 120.40 125.16 1nmc s VAL 109 Ca 0.10 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1nmc s VAL 109 Cb -0.12 -2.36 0.08 0.00 0.00 0.00 0.00 36.38 33.98 1nmc s VAL 109 CO -0.00 0.50 0.01 -0.89 0.00 0.00 0.00 175.10 174.71 1nmc s THR 110 N 0.70 2.57 -0.19 3.92 2.01 0.19 -2.03 115.64 122.82 1nmc s THR 110 Ca -0.05 -1.84 -0.09 0.00 0.31 0.00 0.00 61.69 60.02 1nmc s THR 110 Cb -0.15 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 1nmc s THR 110 CO 0.02 -0.31 0.10 -0.69 -0.69 0.00 0.00 174.62 173.05 1nmc s VAL 111 N 1.09 5.12 0.00 3.82 1.01 -1.26 -1.05 120.40 129.14 1nmc s VAL 111 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1nmc s VAL 111 Cb -0.20 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1nmc s VAL 111 CO -0.05 0.46 0.00 -1.20 0.00 0.00 0.00 175.10 174.32 1nmc n SER 112 N 3.40 0.00 -0.17 3.32 7.64 -0.24 -4.50 113.62 123.08 1nmc n SER 112 Ca -0.17 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.87 1nmc n SER 112 Cb 0.52 0.00 0.80 0.00 -1.01 0.00 0.00 64.21 64.53 1nmc n SER 112 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83