#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p44 h SER 0 N 0.00 0.00 -2.81 1.61 4.64 -1.99 -3.43 113.55 111.57 2p44 h SER 0 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2p44 h SER 0 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2p44 h SER 0 CO 0.00 0.00 -0.48 -1.10 -0.87 0.00 0.00 176.83 174.38 2p44 s GLN 1 N -4.77 3.45 0.03 4.77 -1.52 -1.26 -5.05 119.66 115.30 2p44 s GLN 1 Ca -0.05 -0.48 -0.24 0.00 -1.95 0.00 0.00 55.36 52.65 2p44 s GLN 1 Cb 0.16 -3.01 -0.05 0.00 -0.22 0.00 0.00 33.01 29.89 2p44 s GLN 1 CO 0.59 0.58 0.72 0.08 -0.25 0.00 0.00 175.29 177.01 2p44 s VAL 2 N -1.59 4.78 -0.06 1.09 1.01 -1.26 -4.42 120.40 119.95 2p44 s VAL 2 Ca 0.35 1.54 0.04 0.00 0.00 0.00 0.00 61.98 63.91 2p44 s VAL 2 Cb -0.12 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 2p44 s VAL 2 CO 0.28 0.37 -0.20 -1.10 0.00 0.00 0.00 175.10 174.45 2p44 s GLN 3 N -0.04 2.29 -0.51 2.72 -0.21 -0.47 -4.98 119.66 118.45 2p44 s GLN 3 Ca 0.37 -0.72 -0.15 0.00 0.02 0.00 0.00 55.36 54.87 2p44 s GLN 3 Cb -0.20 -1.88 0.11 0.00 1.00 0.00 0.00 33.01 32.04 2p44 s GLN 3 CO 0.21 0.23 0.45 -0.51 -2.12 0.00 0.00 175.29 173.55 2p44 s LEU 4 N 0.16 5.92 -0.25 2.90 1.43 -1.26 -0.67 118.68 126.92 2p44 s LEU 4 Ca -0.09 -1.60 -0.25 0.00 -1.03 0.00 0.00 54.13 51.16 2p44 s LEU 4 Cb -0.14 -2.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 2p44 s LEU 4 CO 0.05 -0.76 0.85 -0.69 0.23 0.00 0.00 176.35 176.02 2p44 s VAL 5 N 1.61 4.81 -0.08 -1.59 1.01 -0.12 -4.50 120.40 121.54 2p44 s VAL 5 Ca 0.03 1.57 -0.04 0.00 0.00 0.00 0.00 61.98 63.55 2p44 s VAL 5 Cb -0.27 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2p44 s VAL 5 CO 0.04 -0.12 0.10 -1.61 0.00 0.00 0.00 175.10 173.51 2p44 s GLU 6 N 2.91 3.25 0.14 2.72 2.02 -1.26 -1.65 118.70 126.84 2p44 s GLU 6 Ca 0.36 -0.28 -0.02 0.00 0.02 0.00 0.00 54.97 55.05 2p44 s GLU 6 Cb -0.15 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 2p44 s GLU 6 CO 0.08 0.73 0.08 -1.54 0.02 0.00 0.00 175.26 174.63 2p44 s SER 7 N -1.19 0.27 0.00 -0.19 1.04 -0.01 -4.98 113.70 108.64 2p44 s SER 7 Ca 0.17 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2p44 s SER 7 Cb -0.12 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2p44 s SER 7 CO 0.06 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.14 2p44 n GLY 8 N -0.12 -1.19 7.00 7.32 0.00 -1.26 -1.08 105.19 115.86 2p44 n GLY 8 Ca -0.05 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2p44 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p44 n GLY 9 N 0.00 -1.28 0.00 -0.02 0.00 -1.18 -4.96 105.19 97.76 2p44 n GLY 9 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2p44 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p44 n GLY 10 N 0.00 0.17 3.74 -0.02 0.00 -0.03 -4.99 105.19 104.05 2p44 n GLY 10 Ca 0.00 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 2p44 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2p44 s LEU 11 N 0.00 4.38 0.05 0.99 2.96 -1.26 -1.34 118.68 124.46 2p44 s LEU 11 Ca 0.00 1.21 -0.16 0.00 -0.22 0.00 0.00 54.13 54.95 2p44 s LEU 11 Cb 0.00 -3.02 0.03 0.00 0.50 0.00 0.00 46.19 43.70 2p44 s LEU 11 CO 0.00 0.01 0.38 0.54 -1.32 0.00 0.00 176.35 175.95 2p44 s VAL 12 N 0.21 0.07 0.43 1.68 0.11 -0.34 -4.95 120.40 117.61 2p44 s VAL 12 Ca 0.34 -0.54 -0.21 0.00 -2.93 0.00 0.00 61.98 58.64 2p44 s VAL 12 Cb -0.18 -0.96 -0.11 0.00 -1.53 0.00 0.00 36.38 33.60 2p44 s VAL 12 CO 0.18 -0.30 0.96 -1.10 -3.33 0.00 0.00 175.10 171.51 2p44 s GLN 13 N -2.59 4.19 0.19 1.54 1.11 -1.26 -0.56 119.66 122.27 2p44 s GLN 13 Ca -0.05 1.14 -0.33 0.00 0.01 0.00 0.00 55.36 56.14 2p44 s GLN 13 Cb -0.01 -2.18 -0.15 0.00 -1.01 0.00 0.00 33.01 29.67 2p44 s GLN 13 CO -0.03 -0.07 1.34 0.00 0.01 0.00 0.00 175.29 176.54 2p44 n ALA 14 N -0.66 0.25 -0.01 6.09 0.00 -0.62 -0.53 120.51 125.04 2p44 n ALA 14 Ca 0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2p44 n ALA 14 Cb 0.54 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2p44 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p44 n GLY 15 N 2.33 0.57 0.20 0.00 0.00 -1.26 -5.02 105.19 102.01 2p44 n GLY 15 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 2p44 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p44 n GLY 16 N -2.00 0.07 2.98 -0.02 0.00 0.32 -3.97 105.19 102.56 2p44 n GLY 16 Ca 0.00 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 2p44 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2p44 s SER 17 N -1.23 0.54 0.06 1.61 0.01 -1.26 -2.08 113.70 111.36 2p44 s SER 17 Ca 0.04 -0.25 -0.11 0.00 1.31 0.00 0.00 55.95 56.94 2p44 s SER 17 Cb -0.00 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.23 2p44 s SER 17 CO 0.02 -0.06 0.23 -0.76 0.41 0.00 0.00 173.24 173.09 2p44 s LEU 18 N -0.66 1.20 -0.09 2.44 1.43 -1.26 -5.01 118.68 116.73 2p44 s LEU 18 Ca -0.04 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2p44 s LEU 18 Cb -0.05 1.14 0.01 0.00 0.03 0.00 0.00 46.19 47.32 2p44 s LEU 18 CO -0.00 -0.65 -0.18 -0.60 0.23 0.00 0.00 176.35 175.16 2p44 s ARG 19 N -3.07 2.34 -0.04 1.70 3.52 -1.26 -4.55 118.95 117.59 2p44 s ARG 19 Ca -0.01 -0.63 -0.03 0.00 -0.13 0.00 0.00 55.73 54.93 2p44 s ARG 19 Cb 0.01 -1.85 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 2p44 s ARG 19 CO -0.07 0.08 0.13 -0.51 -0.81 0.00 0.00 175.30 174.12 2p44 s LEU 20 N 0.58 4.21 0.06 -0.88 1.43 0.02 -3.07 118.68 121.02 2p44 s LEU 20 Ca -0.15 0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 2p44 s LEU 20 Cb -0.17 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 2p44 s LEU 20 CO 0.05 0.31 -0.12 -0.94 0.23 0.00 0.00 176.35 175.88 2p44 s SER 21 N -1.58 1.43 -0.05 2.29 1.04 -0.24 -0.70 113.70 115.88 2p44 s SER 21 Ca 0.22 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 56.06 2p44 s SER 21 Cb -0.12 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 65.99 2p44 s SER 21 CO 0.13 -0.09 0.13 0.00 0.98 0.00 0.00 173.24 174.38 2p44 s ALA 23 N 0.76 0.96 0.06 0.00 0.00 -0.66 -1.10 121.76 121.79 2p44 s ALA 23 Ca -0.06 -0.25 -0.23 0.00 0.00 0.00 0.00 51.96 51.43 2p44 s ALA 23 Cb -0.08 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.42 2p44 s ALA 23 CO -0.04 -0.05 0.68 0.00 0.00 0.00 0.00 175.76 176.35 2p44 s ALA 24 N 1.00 3.46 0.13 0.00 0.00 -0.10 -0.94 121.76 125.32 2p44 s ALA 24 Ca -0.09 0.18 0.11 0.00 0.00 0.00 0.00 51.96 52.16 2p44 s ALA 24 Cb -0.14 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 2p44 s ALA 24 CO -0.00 0.21 -0.26 -1.54 0.00 0.00 0.00 175.76 174.17 2p44 s SER 25 N -0.54 3.22 0.00 0.00 1.04 0.16 -4.80 113.70 112.77 2p44 s SER 25 Ca 0.34 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2p44 s SER 25 Cb -0.20 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.71 2p44 s SER 25 CO 0.21 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.20 2p44 n GLY 26 N 0.89 0.20 3.65 7.32 0.00 -1.26 -1.37 105.19 114.62 2p44 n GLY 26 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2p44 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p44 s TYR 27 N -2.06 3.29 -0.72 1.61 5.04 -1.26 -4.63 117.35 118.61 2p44 s TYR 27 Ca 0.00 0.14 0.25 0.00 -2.44 0.00 0.00 57.07 55.02 2p44 s TYR 27 Cb 0.00 -2.13 0.60 0.00 0.35 0.00 0.00 41.96 40.79 2p44 s TYR 27 CO 0.00 0.16 1.56 0.00 -1.34 0.00 0.00 175.55 175.93 2p44 n ALA 28 N 3.66 2.65 -3.90 3.97 0.00 -1.26 -4.88 120.51 120.75 2p44 n ALA 28 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2p44 n ALA 28 Cb 0.52 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2p44 n ALA 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2p44 n TYR 29 N -2.11 -0.20 -3.86 0.00 4.01 -1.26 -5.12 117.16 108.63 2p44 n TYR 29 Ca 0.05 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.43 2p44 n TYR 29 Cb 0.42 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.35 2p44 n TYR 29 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p44 s THR 30 N -0.81 4.76 -0.07 -0.72 2.01 -1.26 -4.91 115.64 114.63 2p44 s THR 30 Ca 0.00 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 2p44 s THR 30 Cb 0.00 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2p44 s THR 30 CO 0.00 0.39 1.41 -0.31 -0.69 0.00 0.00 174.62 175.42 2p44 s TYR 31 N 0.95 2.64 0.05 4.92 2.02 -1.26 -4.93 117.35 121.75 2p44 s TYR 31 Ca 0.05 0.74 -0.25 0.00 -0.37 0.00 0.00 57.07 57.24 2p44 s TYR 31 Cb -0.14 -3.66 -0.17 0.00 -0.40 0.00 0.00 41.96 37.59 2p44 s TYR 31 CO 0.03 -2.50 1.55 0.82 -1.57 0.00 0.00 175.55 173.88 2p44 h ILE 32 N 5.29 0.98 -5.87 2.71 2.04 -1.93 -3.41 117.51 117.32 2p44 h ILE 32 Ca -0.34 -0.34 -0.55 0.00 1.00 0.00 0.00 64.86 64.63 2p44 h ILE 32 Cb 1.15 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 2p44 h ILE 32 CO 0.94 0.08 -0.24 -1.22 0.00 0.00 0.00 178.15 177.71 2p44 n TYR 33 N -5.08 -0.78 -0.51 1.37 4.01 -1.26 -0.58 117.16 114.33 2p44 n TYR 33 Ca -0.08 -2.24 0.00 0.00 -0.16 0.00 0.00 57.90 55.42 2p44 n TYR 33 Cb 0.15 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 2p44 n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2p44 n GLY 35 N -1.48 -1.83 3.26 2.72 0.00 -0.34 -1.55 105.19 105.98 2p44 n GLY 35 Ca -0.00 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2p44 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2p44 s TRP 36 N -2.15 2.59 0.33 1.61 0.52 0.43 -1.03 118.94 121.24 2p44 s TRP 36 Ca 0.00 -0.92 0.10 0.00 0.02 0.00 0.00 56.10 55.30 2p44 s TRP 36 Cb 0.00 -1.72 -0.06 0.00 -1.15 0.00 0.00 33.47 30.55 2p44 s TRP 36 CO 0.00 -0.34 -0.09 -0.06 0.02 0.00 0.00 176.95 176.48 2p44 s PHE 37 N 0.25 2.42 0.05 -1.98 0.40 -0.04 -0.78 117.98 118.30 2p44 s PHE 37 Ca -0.15 -0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 55.68 2p44 s PHE 37 Cb -0.17 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.03 2p44 s PHE 37 CO 0.08 0.59 0.10 -0.98 0.70 0.00 0.00 175.22 175.71 2p44 s ARG 38 N -3.62 0.64 -0.24 0.44 1.70 -0.17 -0.17 118.95 117.54 2p44 s ARG 38 Ca 0.32 -0.83 0.01 0.00 -0.47 0.00 0.00 55.73 54.76 2p44 s ARG 38 Cb -0.00 0.25 0.06 0.00 -0.57 0.00 0.00 34.95 34.69 2p44 s ARG 38 CO 0.17 -0.17 -0.05 -1.14 -1.08 0.00 0.00 175.30 173.03 2p44 s GLN 39 N -2.96 1.63 0.39 3.89 0.74 -0.38 -0.80 119.66 122.16 2p44 s GLN 39 Ca -0.02 -1.03 -0.15 0.00 0.05 0.00 0.00 55.36 54.21 2p44 s GLN 39 Cb 0.01 -2.60 -0.08 0.00 1.10 0.00 0.00 33.01 31.43 2p44 s GLN 39 CO -0.06 -0.61 0.82 0.00 -0.55 0.00 0.00 175.29 174.88 2p44 s ALA 40 N 1.38 3.25 0.20 1.58 0.00 -1.26 -1.63 121.76 125.28 2p44 s ALA 40 Ca -0.05 0.05 -0.32 0.00 0.00 0.00 0.00 51.96 51.64 2p44 s ALA 40 Cb -0.19 -2.86 -0.15 0.00 0.00 0.00 0.00 23.12 19.92 2p44 s ALA 40 CO -0.07 0.12 1.14 -2.30 0.00 0.00 0.00 175.76 174.65 2p44 n PRO 41 N -0.85 1.25 -0.75 0.00 -0.02 -1.26 -1.81 135.00 131.56 2p44 n PRO 41 Ca 0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2p44 n PRO 41 Cb 0.54 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2p44 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p44 n GLY 42 N 1.85 1.49 3.27 -1.23 0.00 -1.26 -5.00 105.19 104.30 2p44 n GLY 42 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 2p44 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p44 s LYS 43 N -0.00 1.11 0.69 1.61 -0.14 -0.75 -5.15 119.74 117.10 2p44 s LYS 43 Ca 0.00 -1.48 -0.11 0.00 -1.36 0.00 0.00 55.97 53.02 2p44 s LYS 43 Cb 0.00 -0.68 0.00 0.00 -1.68 0.00 0.00 37.83 35.47 2p44 s LYS 43 CO 0.00 0.08 1.07 -1.21 -0.76 0.00 0.00 175.35 174.53 2p44 s GLU 44 N -3.74 3.04 0.43 1.68 2.02 -1.26 -4.53 118.70 116.33 2p44 s GLU 44 Ca 0.18 0.62 -0.26 0.00 0.02 0.00 0.00 54.97 55.53 2p44 s GLU 44 Cb 0.02 -2.03 -0.09 0.00 0.10 0.00 0.00 34.13 32.13 2p44 s GLU 44 CO 0.02 -0.94 1.46 -2.13 0.02 0.00 0.00 175.26 173.68 2p44 n ARG 45 N -2.98 2.43 -4.00 1.61 0.63 -1.26 -4.60 116.66 108.48 2p44 n ARG 45 Ca 0.07 0.86 -0.11 0.00 -0.92 0.00 0.00 57.85 57.75 2p44 n ARG 45 Cb 0.56 -2.66 -0.12 0.00 0.45 0.00 0.00 32.46 30.69 2p44 n ARG 45 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2p44 s GLU 46 N -2.34 0.35 0.15 -0.14 -1.05 0.02 -4.96 118.70 110.73 2p44 s GLU 46 Ca 0.58 -0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 54.52 2p44 s GLU 46 Cb -0.46 -0.05 -0.08 0.00 -0.44 0.00 0.00 34.13 33.11 2p44 s GLU 46 CO 0.60 -0.01 1.26 0.20 0.95 0.00 0.00 175.26 178.26 2p44 s GLY 47 N -1.29 2.44 -0.25 -3.83 0.00 -1.26 -1.00 107.32 102.13 2p44 s GLY 47 Ca -0.12 1.00 -0.13 0.00 0.00 0.00 0.00 44.72 45.46 2p44 s GLY 47 CO -0.00 2.03 -0.33 -0.62 0.00 0.00 0.00 173.10 174.18 2p44 n VAL 48 N 3.10 1.42 -3.58 1.40 0.31 0.04 -4.05 118.33 116.97 2p44 n VAL 48 Ca 0.07 -0.29 -0.17 0.00 -0.01 0.00 0.00 64.34 63.94 2p44 n VAL 48 Cb 0.44 -1.91 -0.07 0.00 -0.91 0.00 0.00 33.84 31.40 2p44 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2p44 s ALA 49 N -2.52 -1.57 0.35 3.52 0.00 -0.98 -0.88 121.76 119.67 2p44 s ALA 49 Ca -0.35 1.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 2p44 s ALA 49 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2p44 s ALA 49 CO 0.45 -0.34 0.48 0.00 0.00 0.00 0.00 175.76 176.35 2p44 s ALA 50 N -0.96 0.75 0.40 0.00 0.00 -0.77 -0.43 121.76 120.74 2p44 s ALA 50 Ca -0.10 -1.51 0.06 0.00 0.00 0.00 0.00 51.96 50.42 2p44 s ALA 50 Cb -0.02 1.15 -0.08 0.00 0.00 0.00 0.00 23.12 24.18 2p44 s ALA 50 CO 0.08 -0.79 0.02 0.16 0.00 0.00 0.00 175.76 175.22 2p44 s ASP 52 N -3.24 3.68 0.26 0.00 1.47 0.19 -1.99 116.67 117.04 2p44 s ASP 52 Ca 0.30 -1.38 0.24 0.00 1.18 0.00 0.00 52.55 52.90 2p44 s ASP 52 Cb -0.01 -0.33 0.96 0.00 -0.34 0.00 0.00 42.92 43.20 2p44 s ASP 52 CO 0.20 -0.48 1.73 -1.54 0.68 0.00 0.00 175.17 175.76 2p44 n SER 53 N -0.94 0.73 -0.65 2.11 3.41 0.25 -1.23 113.62 117.30 2p44 n SER 53 Ca -0.05 0.65 0.10 0.00 -0.26 0.00 0.00 58.87 59.32 2p44 n SER 53 Cb 0.67 -0.82 0.33 0.00 -0.26 0.00 0.00 64.21 64.14 2p44 n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2p44 n GLY 54 N 0.26 0.52 0.99 5.00 0.00 -1.26 -4.93 105.19 105.77 2p44 n GLY 54 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2p44 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p44 n GLY 55 N 1.18 0.77 0.00 -0.02 0.00 -0.37 -5.04 105.19 101.71 2p44 n GLY 55 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2p44 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p44 n GLY 56 N -2.37 7.15 2.58 -0.02 0.00 -1.25 -4.79 105.19 106.49 2p44 n GLY 56 Ca 0.00 -2.06 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 2p44 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p44 n GLY 57 N 5.00 -0.50 3.71 -0.02 0.00 -1.26 -0.64 105.19 111.48 2p44 n GLY 57 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2p44 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p44 s THR 58 N -3.00 4.13 0.02 2.61 2.01 -1.26 -4.47 115.64 115.67 2p44 s THR 58 Ca 0.08 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.65 2p44 s THR 58 Cb -0.04 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 2p44 s THR 58 CO 0.10 0.13 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.36 2p44 s LEU 59 N 0.91 2.12 0.08 4.42 1.43 -0.84 -5.00 118.68 121.81 2p44 s LEU 59 Ca 0.57 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 2p44 s LEU 59 Cb -0.28 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 2p44 s LEU 59 CO 0.30 -0.09 -0.15 -0.31 0.23 0.00 0.00 176.35 176.33 2p44 s TYR 60 N -0.71 1.34 0.32 0.29 2.02 -1.26 -1.85 117.35 117.50 2p44 s TYR 60 Ca -0.05 -0.47 -0.29 0.00 -0.37 0.00 0.00 57.07 55.90 2p44 s TYR 60 Cb -0.06 -0.74 -0.12 0.00 -0.40 0.00 0.00 41.96 40.64 2p44 s TYR 60 CO -0.00 0.10 1.34 0.00 -1.57 0.00 0.00 175.55 175.41 2p44 n ALA 61 N 1.12 1.39 -0.30 3.71 0.00 -0.06 -4.89 120.51 121.48 2p44 n ALA 61 Ca -0.20 0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.71 2p44 n ALA 61 Cb 0.54 -2.28 0.33 0.00 0.00 0.00 0.00 19.45 18.05 2p44 n ALA 61 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2p44 h ASP 62 N 2.98 0.75 0.71 0.00 1.82 -1.92 -2.18 116.42 118.57 2p44 h ASP 62 Ca -0.46 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 2p44 h ASP 62 Cb 1.28 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.18 2p44 h ASP 62 CO 0.66 0.39 0.00 -1.54 -1.61 0.00 0.00 179.24 177.14 2p44 n SER 63 N -4.58 0.57 -0.08 2.28 3.41 -1.26 -2.73 113.62 111.23 2p44 n SER 63 Ca 0.18 0.64 0.03 0.00 -0.26 0.00 0.00 58.87 59.46 2p44 n SER 63 Cb 0.42 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 2p44 n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2p44 n VAL 64 N -2.12 0.00 -1.67 -3.33 0.24 -0.84 -4.96 118.33 105.64 2p44 n VAL 64 Ca 0.02 -0.39 -0.45 0.00 -2.04 0.00 0.00 64.34 61.49 2p44 n VAL 64 Cb 0.22 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 2p44 n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2p44 n LYS 65 N -0.72 2.10 -0.64 7.34 4.81 -1.08 -1.69 118.16 128.28 2p44 n LYS 65 Ca 0.02 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 2p44 n LYS 65 Cb 0.13 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 32.72 2p44 n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2p44 n GLY 66 N 2.63 1.41 0.39 3.14 0.00 -1.26 -5.08 105.19 106.42 2p44 n GLY 66 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2p44 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p44 n ARG 67 N -2.00 1.47 0.00 1.61 1.74 -0.68 -5.03 116.66 113.77 2p44 n ARG 67 Ca 0.00 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 2p44 n ARG 67 Cb 0.00 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2p44 n ARG 67 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2p44 n THR 69 N -1.25 0.00 -3.72 0.55 -1.04 0.56 -0.68 114.28 108.71 2p44 n THR 69 Ca 0.18 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.86 2p44 n THR 69 Cb 0.67 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.13 2p44 n THR 69 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2p44 s ILE 70 N 0.00 5.23 0.07 12.58 2.07 -1.26 -0.99 121.20 138.89 2p44 s ILE 70 Ca 0.00 0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.29 2p44 s ILE 70 Cb 0.00 -3.61 -0.02 0.00 0.13 0.00 0.00 42.46 38.96 2p44 s ILE 70 CO 0.00 0.21 0.08 -0.94 -1.91 0.00 0.00 174.94 172.38 2p44 s SER 71 N -2.06 0.29 0.00 4.50 1.04 -0.75 -4.99 113.70 111.73 2p44 s SER 71 Ca 0.34 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2p44 s SER 71 Cb -0.13 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2p44 s SER 71 CO 0.21 -0.65 0.00 0.54 0.98 0.00 0.00 173.24 174.32 2p44 n ARG 72 N 0.09 2.37 0.00 4.02 1.74 -1.26 -1.01 116.66 122.61 2p44 n ARG 72 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2p44 n ARG 72 Cb 0.61 -0.19 0.02 0.00 -1.02 0.00 0.00 32.46 31.88 2p44 n ARG 72 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2p44 n ASP 73 N -0.33 0.00 -3.25 0.55 3.85 -1.26 -3.14 116.55 112.97 2p44 n ASP 73 Ca 0.00 0.16 -0.39 0.00 -0.71 0.00 0.00 54.79 53.85 2p44 n ASP 73 Cb 0.00 -0.17 0.02 0.00 -1.35 0.00 0.00 41.12 39.62 2p44 n ASP 73 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 2p44 n LYS 74 N -1.17 4.10 0.00 0.11 4.81 -1.26 -5.03 118.16 119.73 2p44 n LYS 74 Ca 0.00 -4.18 0.00 0.00 -0.87 0.00 0.00 58.31 53.26 2p44 n LYS 74 Cb 0.00 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 32.69 2p44 n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2p44 n GLY 75 N -0.29 2.56 3.70 3.14 0.00 -1.19 -4.77 105.19 108.34 2p44 n GLY 75 Ca 0.49 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 2p44 n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2p44 s LYS 76 N -1.96 4.36 -1.41 1.61 2.20 -1.26 -3.51 119.74 119.77 2p44 s LYS 76 Ca 0.00 1.84 -0.08 0.00 -0.36 0.00 0.00 55.97 57.37 2p44 s LYS 76 Cb 0.00 -3.44 0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2p44 s LYS 76 CO 0.00 -0.41 0.98 0.09 -0.36 0.00 0.00 175.35 175.65 2p44 n ASN 77 N 4.59 -4.13 -4.47 1.43 3.02 -1.26 -4.72 115.26 109.72 2p44 n ASN 77 Ca 0.11 -0.71 -0.28 0.00 -0.03 0.00 0.00 54.58 53.67 2p44 n ASN 77 Cb 0.45 -4.34 -0.11 0.00 -0.61 0.00 0.00 39.78 35.17 2p44 n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2p44 s THR 78 N -3.39 2.69 -0.17 3.41 -4.23 -1.23 -0.92 115.64 111.80 2p44 s THR 78 Ca 0.43 -1.73 -0.15 0.00 -1.18 0.00 0.00 61.69 59.07 2p44 s THR 78 Cb -0.21 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.41 2p44 s THR 78 CO 0.79 -0.01 0.44 0.54 -0.54 0.00 0.00 174.62 175.84 2p44 s VAL 79 N -1.41 -0.00 0.09 2.29 0.11 -0.26 -4.55 120.40 116.67 2p44 s VAL 79 Ca 0.20 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.32 2p44 s VAL 79 Cb -0.09 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 2p44 s VAL 79 CO 0.11 0.00 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.40 2p44 s TYR 80 N 0.37 1.43 -0.18 1.54 2.02 -0.18 -0.73 117.35 121.62 2p44 s TYR 80 Ca -0.01 -0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.22 2p44 s TYR 80 Cb -0.04 -0.79 0.05 0.00 -0.40 0.00 0.00 41.96 40.79 2p44 s TYR 80 CO -0.01 0.12 0.01 -1.17 -1.57 0.00 0.00 175.55 172.93 2p44 s LEU 81 N -1.86 1.34 0.78 -1.29 2.96 0.12 -1.80 118.68 118.93 2p44 s LEU 81 Ca 0.02 -0.76 -0.05 0.00 -0.22 0.00 0.00 54.13 53.11 2p44 s LEU 81 Cb -0.10 -0.69 0.14 0.00 0.50 0.00 0.00 46.19 46.04 2p44 s LEU 81 CO 0.03 -0.27 1.08 -1.58 -1.32 0.00 0.00 176.35 174.29 2p44 s GLN 82 N 1.78 1.44 0.00 1.98 2.00 -0.16 -0.80 119.66 125.91 2p44 s GLN 82 Ca -0.01 -0.86 0.00 0.00 -2.00 0.00 0.00 55.36 52.50 2p44 s GLN 82 Cb -0.16 -2.19 0.00 0.00 0.80 0.00 0.00 33.01 31.46 2p44 s GLN 82 CO -0.07 -1.69 0.00 -0.25 -0.50 0.00 0.00 175.29 172.78 2p44 n ASP 84 N -3.09 0.00 -1.69 6.67 10.43 0.14 -0.32 116.55 128.70 2p44 n ASP 84 Ca 0.14 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.50 2p44 n ASP 84 Cb 0.60 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.56 2p44 n ASP 84 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2p44 n SER 85 N 0.00 -3.74 -3.53 -2.24 7.64 -0.88 -4.83 113.62 106.04 2p44 n SER 85 Ca 0.00 1.16 -0.16 0.00 1.01 0.00 0.00 58.87 60.88 2p44 n SER 85 Cb 0.00 -2.97 -0.06 0.00 -1.01 0.00 0.00 64.21 60.18 2p44 n SER 85 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2p44 s LYS 87 N -1.18 0.96 0.34 1.43 1.02 -1.26 -4.61 119.74 116.44 2p44 s LYS 87 Ca 0.00 0.21 0.14 0.00 0.02 0.00 0.00 55.97 56.34 2p44 s LYS 87 Cb 0.00 0.45 1.04 0.00 -0.52 0.00 0.00 37.83 38.80 2p44 s LYS 87 CO 0.00 -0.30 1.69 -1.35 -0.92 0.00 0.00 175.35 174.46 2p44 h PRO 88 N 2.87 0.39 0.00 -1.68 0.11 -1.91 0.15 132.00 131.93 2p44 h PRO 88 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2p44 h PRO 88 Cb 1.15 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2p44 h PRO 88 CO 0.37 0.26 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 2p44 n GLU 89 N -4.97 0.05 0.00 1.05 0.00 -1.26 -1.53 120.64 113.98 2p44 n GLU 89 Ca 0.30 0.44 0.14 0.00 0.00 0.00 0.00 57.16 58.05 2p44 n GLU 89 Cb 0.92 -1.64 0.57 0.00 0.00 0.00 0.00 31.44 31.29 2p44 n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2p44 n ASP 90 N -1.75 0.24 -4.68 -1.84 8.00 0.53 -4.82 116.55 112.23 2p44 n ASP 90 Ca 0.01 -0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 2p44 n ASP 90 Cb 0.09 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 2p44 n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2p44 n THR 91 N -1.30 0.51 -3.62 -3.53 -1.04 -0.58 -4.85 114.28 99.87 2p44 n THR 91 Ca 0.10 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2p44 n THR 91 Cb 0.31 -2.19 -0.01 0.00 -1.82 0.00 0.00 70.33 66.62 2p44 n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2p44 s ALA 92 N 3.34 -2.19 -0.17 2.41 0.00 -0.36 -4.38 121.76 120.42 2p44 s ALA 92 Ca 0.85 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 53.39 2p44 s ALA 92 Cb -0.47 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2p44 s ALA 92 CO 0.39 -0.98 0.74 0.99 0.00 0.00 0.00 175.76 176.90 2p44 s THR 93 N -2.46 4.95 -0.13 0.00 2.01 -0.64 -1.18 115.64 118.19 2p44 s THR 93 Ca 0.13 1.43 -0.06 0.00 0.31 0.00 0.00 61.69 63.50 2p44 s THR 93 Cb 0.04 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2p44 s THR 93 CO -0.04 0.08 0.10 -0.31 -0.69 0.00 0.00 174.62 173.76 2p44 s TYR 94 N 1.92 3.43 -0.08 4.92 1.51 0.33 -1.25 117.35 128.13 2p44 s TYR 94 Ca 0.34 0.37 0.03 0.00 -1.01 0.00 0.00 57.07 56.81 2p44 s TYR 94 Cb -0.16 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 2p44 s TYR 94 CO 0.12 0.55 -0.17 0.71 -1.11 0.00 0.00 175.55 175.66 2p44 s TYR 95 N -0.67 1.88 0.37 2.71 1.51 0.76 -0.36 117.35 123.54 2p44 s TYR 95 Ca 0.12 -0.72 -0.26 0.00 -1.01 0.00 0.00 57.07 55.21 2p44 s TYR 95 Cb -0.12 -1.31 -0.09 0.00 -0.11 0.00 0.00 41.96 40.33 2p44 s TYR 95 CO 0.02 -0.32 1.11 0.00 -1.11 0.00 0.00 175.55 175.26 2p44 s ALA 97 N -1.43 -0.05 0.01 0.00 0.00 -0.20 -0.68 121.76 119.42 2p44 s ALA 97 Ca 0.54 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 2p44 s ALA 97 Cb -0.28 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2p44 s ALA 97 CO 0.36 -0.25 0.07 0.00 0.00 0.00 0.00 175.76 175.94 2p44 s ALA 98 N -2.06 -0.16 0.00 0.00 0.00 -0.45 -1.19 121.76 117.90 2p44 s ALA 98 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2p44 s ALA 98 Cb -0.05 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2p44 s ALA 98 CO -0.02 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2p44 n GLY 99 N 1.66 0.79 0.00 0.00 0.00 -0.59 -2.87 105.19 104.18 2p44 n GLY 99 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2p44 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p44 n GLY 100 N -2.37 2.39 2.91 -0.02 0.00 -1.23 -4.59 105.19 102.28 2p44 n GLY 100 Ca 0.00 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.03 2p44 n GLY 100 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2p44 s TYR 101 N 3.44 -0.20 0.00 1.61 5.04 -1.26 -4.27 117.35 121.70 2p44 s TYR 101 Ca 0.00 0.59 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 2p44 s TYR 101 Cb 0.00 -0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.17 2p44 s TYR 101 CO 0.00 -0.23 0.00 0.39 -1.34 0.00 0.00 175.55 174.37 2p44 n GLU 102 N 4.72 0.00 -0.73 4.97 1.02 -1.26 -2.74 120.64 126.62 2p44 n GLU 102 Ca -0.17 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.99 2p44 n GLU 102 Cb 0.51 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 32.20 2p44 n GLU 102 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2p44 n LEU 103 N 0.00 4.74 -4.46 -4.62 4.77 -1.26 -4.78 117.00 111.39 2p44 n LEU 103 Ca 0.00 -3.23 -0.43 0.00 -0.03 0.00 0.00 56.01 52.32 2p44 n LEU 103 Cb 0.00 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 2p44 n LEU 103 CO 0.00 0.83 0.84 -0.13 -1.33 0.00 0.00 177.39 177.60 2p44 s ARG 104 N -2.97 3.20 0.47 3.23 0.52 -1.11 -4.39 118.95 117.90 2p44 s ARG 104 Ca 0.48 -0.92 0.15 0.00 -0.52 0.00 0.00 55.73 54.91 2p44 s ARG 104 Cb 0.39 -4.36 1.08 0.00 0.52 0.00 0.00 34.95 32.58 2p44 s ARG 104 CO 0.09 -1.85 2.04 0.38 0.02 0.00 0.00 175.30 175.98 2p44 h ASP 105 N 9.52 0.02 0.07 0.23 2.03 -1.91 -1.15 116.42 125.22 2p44 h ASP 105 Ca -0.21 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.08 2p44 h ASP 105 Cb 1.06 -0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.55 2p44 h ASP 105 CO 1.19 0.13 -0.02 0.03 -1.03 0.00 0.00 179.24 179.55 2p44 h ARG 106 N 0.02 0.00 0.00 4.15 3.08 -1.97 -2.53 114.38 117.12 2p44 h ARG 106 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2p44 h ARG 106 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2p44 h ARG 106 CO 0.01 0.02 -0.22 0.25 -1.07 0.00 0.00 179.97 178.96 2p44 n THR 107 N -3.63 0.06 -3.24 2.04 -2.24 -0.44 -4.81 114.28 102.03 2p44 n THR 107 Ca -0.03 -0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 2p44 n THR 107 Cb 0.10 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 2p44 n THR 107 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2p44 s TYR 108 N -3.02 3.49 -0.78 4.78 1.51 -0.96 -3.55 117.35 118.83 2p44 s TYR 108 Ca 0.12 0.94 0.15 0.00 -1.01 0.00 0.00 57.07 57.27 2p44 s TYR 108 Cb 0.18 -2.63 -0.15 0.00 -0.11 0.00 0.00 41.96 39.25 2p44 s TYR 108 CO 0.61 0.09 0.66 0.41 -1.11 0.00 0.00 175.55 176.21 2p44 n GLY 109 N 3.37 -0.38 3.10 0.71 0.00 -1.18 -4.92 105.19 105.88 2p44 n GLY 109 Ca -0.05 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 2p44 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p44 s GLN 110 N -2.37 2.10 -0.01 1.61 -1.52 -1.14 -5.03 119.66 113.30 2p44 s GLN 110 Ca 0.06 -0.59 0.02 0.00 -1.95 0.00 0.00 55.36 52.91 2p44 s GLN 110 Cb 0.12 -1.69 -0.00 0.00 -0.22 0.00 0.00 33.01 31.21 2p44 s GLN 110 CO 0.60 0.12 -0.08 -1.58 -0.25 0.00 0.00 175.29 174.10 2p44 s TRP 111 N 0.43 0.78 0.94 0.91 0.52 -1.26 -1.34 118.94 119.92 2p44 s TRP 111 Ca -0.13 -0.16 -0.12 0.00 0.02 0.00 0.00 56.10 55.70 2p44 s TRP 111 Cb -0.15 -0.53 0.16 0.00 -1.15 0.00 0.00 33.47 31.79 2p44 s TRP 111 CO 0.05 -0.04 1.09 0.20 0.02 0.00 0.00 176.95 178.27 2p44 s GLY 112 N -0.03 1.60 0.36 0.98 0.00 0.15 -4.67 107.32 105.71 2p44 s GLY 112 Ca 0.01 -0.16 0.27 0.00 0.00 0.00 0.00 44.72 44.84 2p44 s GLY 112 CO -0.00 0.38 1.79 1.46 0.00 0.00 0.00 173.10 176.73 2p44 h GLN 113 N -1.71 0.00 0.00 2.90 4.20 -1.91 -3.44 115.11 115.15 2p44 h GLN 113 Ca -0.52 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2p44 h GLN 113 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 2p44 h GLN 113 CO 0.55 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.12 2p44 n GLY 114 N 0.42 2.75 3.04 3.46 0.00 -1.26 -5.06 105.19 108.54 2p44 n GLY 114 Ca 0.03 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 2p44 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p44 s THR 115 N -0.59 1.57 0.26 2.61 2.01 0.51 -4.92 115.64 117.09 2p44 s THR 115 Ca 0.00 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 2p44 s THR 115 Cb 0.00 -1.46 -0.09 0.00 0.01 0.00 0.00 72.50 70.96 2p44 s THR 115 CO 0.00 0.46 1.27 -1.58 -0.69 0.00 0.00 174.62 174.08 2p44 s GLN 116 N 1.30 4.42 -0.11 4.92 2.00 -1.26 -0.52 119.66 130.41 2p44 s GLN 116 Ca 0.01 2.06 -0.00 0.00 -2.00 0.00 0.00 55.36 55.43 2p44 s GLN 116 Cb -0.14 -3.15 0.02 0.00 0.80 0.00 0.00 33.01 30.54 2p44 s GLN 116 CO -0.07 -0.15 -0.09 0.08 -0.50 0.00 0.00 175.29 174.56 2p44 s VAL 117 N -0.51 1.07 -0.21 1.34 1.01 -0.33 -0.85 120.40 121.92 2p44 s VAL 117 Ca 0.52 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.19 2p44 s VAL 117 Cb -0.37 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 34.98 2p44 s VAL 117 CO 0.43 0.37 -0.15 -0.89 0.00 0.00 0.00 175.10 174.86 2p44 s THR 118 N 1.58 2.02 -0.41 3.92 2.01 -0.45 -1.22 115.64 123.09 2p44 s THR 118 Ca 0.03 -1.18 -0.15 0.00 0.31 0.00 0.00 61.69 60.70 2p44 s THR 118 Cb -0.13 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.43 2p44 s THR 118 CO -0.07 0.29 0.31 -0.69 -0.69 0.00 0.00 174.62 173.76 2p44 s VAL 119 N 1.25 5.25 0.27 3.82 1.01 -1.26 -1.20 120.40 129.55 2p44 s VAL 119 Ca -0.01 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 2p44 s VAL 119 Cb -0.16 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 2p44 s VAL 119 CO -0.09 -0.33 1.03 -0.94 0.00 0.00 0.00 175.10 174.77 2p44 s SER 120 N 1.74 7.40 0.00 3.32 1.04 0.27 -4.64 113.70 122.83 2p44 s SER 120 Ca 0.05 2.12 0.00 0.00 0.48 0.00 0.00 55.95 58.60 2p44 s SER 120 Cb -0.19 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.31 2p44 s SER 120 CO 0.10 -0.04 0.36 -1.20 0.98 0.00 0.00 173.24 173.44