#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1m s GLU 2 N 0.00 3.42 1.14 0.54 2.02 -1.26 -5.11 118.70 119.46 2k1m s GLU 2 Ca 0.00 -0.59 -0.17 0.00 0.02 0.00 0.00 54.97 54.24 2k1m s GLU 2 Cb 0.00 -2.78 0.26 0.00 0.10 0.00 0.00 34.13 31.71 2k1m s GLU 2 CO 0.00 0.26 1.10 -1.25 0.02 0.00 0.00 175.26 175.39 2k1m s PRO 3 N -4.16 -0.71 -0.07 0.39 0.04 -1.26 -5.01 135.00 124.22 2k1m s PRO 3 Ca 0.38 0.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.38 2k1m s PRO 3 Cb -0.09 -1.64 -0.12 0.00 0.04 0.00 0.00 34.50 32.69 2k1m s PRO 3 CO 0.32 -3.41 0.61 0.78 0.04 0.00 0.00 177.00 175.34 2k1m h GLY 4 N -2.37 -0.23 -2.49 0.56 0.00 -2.08 -3.46 103.07 93.00 2k1m h GLY 4 Ca -0.48 0.09 -0.57 0.00 0.00 0.00 0.00 47.33 46.37 2k1m h GLY 4 CO 0.42 -0.08 0.27 0.28 0.00 0.00 0.00 176.54 177.43 2k1m n LYS 5 N -4.91 1.01 -1.85 4.80 5.02 -1.26 -4.98 118.16 116.00 2k1m n LYS 5 Ca -0.06 0.39 -0.31 0.00 -2.02 0.00 0.00 58.31 56.31 2k1m n LYS 5 Cb 0.22 -2.30 0.02 0.00 -0.02 0.00 0.00 35.03 32.94 2k1m n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k1m s LYS 6 N -2.95 3.44 0.95 1.97 3.01 -1.26 -5.06 119.74 119.84 2k1m s LYS 6 Ca 0.78 0.73 -0.12 0.00 -1.01 0.00 0.00 55.97 56.34 2k1m s LYS 6 Cb -0.41 -2.06 0.16 0.00 -1.01 0.00 0.00 37.83 34.51 2k1m s LYS 6 CO 0.45 -0.68 1.09 -1.25 0.51 0.00 0.00 175.35 175.47 2k1m s PRO 7 N -5.19 0.81 -0.40 -1.68 0.04 -1.26 -4.86 135.00 122.46 2k1m s PRO 7 Ca 0.56 0.67 -0.32 0.00 0.04 0.00 0.00 61.00 61.95 2k1m s PRO 7 Cb -0.11 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 2k1m s PRO 7 CO 0.54 -2.51 2.28 1.33 0.04 0.00 0.00 177.00 178.69 2k1m n VAL 8 N -4.04 0.15 -3.18 -0.36 0.24 -1.26 -4.92 118.33 104.96 2k1m n VAL 8 Ca 0.06 -0.38 -0.39 0.00 -2.04 0.00 0.00 64.34 61.59 2k1m n VAL 8 Cb 0.56 -1.96 -0.06 0.00 -1.47 0.00 0.00 33.84 30.92 2k1m n VAL 8 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2k1m s SER 9 N 8.61 7.09 -0.14 -1.34 1.04 -1.26 -4.97 113.70 122.72 2k1m s SER 9 Ca 1.08 1.29 0.16 0.00 0.48 0.00 0.00 55.95 58.96 2k1m s SER 9 Cb -0.65 -2.39 0.46 0.00 0.10 0.00 0.00 66.02 63.54 2k1m s SER 9 CO 0.42 0.18 1.36 0.00 0.98 0.00 0.00 173.24 176.18 2k1m n ALA 10 N 2.18 2.78 -3.55 5.32 0.00 -1.26 -4.67 120.51 121.32 2k1m n ALA 10 Ca -0.08 -2.15 -0.29 0.00 0.00 0.00 0.00 53.44 50.92 2k1m n ALA 10 Cb 0.50 -0.62 -0.12 0.00 0.00 0.00 0.00 19.45 19.21 2k1m n ALA 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k1m s PHE 11 N -2.53 1.26 0.21 0.00 0.40 -1.26 -1.36 117.98 114.69 2k1m s PHE 11 Ca 0.37 -2.02 -0.10 0.00 -0.60 0.00 0.00 56.93 54.59 2k1m s PHE 11 Cb 0.30 -1.29 0.29 0.00 0.51 0.00 0.00 43.02 42.82 2k1m s PHE 11 CO 0.09 -0.81 1.69 0.77 0.70 0.00 0.00 175.22 177.66 2k1m h SER 12 N 6.73 -0.11 -3.39 1.36 0.02 -1.30 -3.37 113.55 113.49 2k1m h SER 12 Ca 0.06 0.13 -0.56 0.00 -0.84 0.00 0.00 61.79 60.57 2k1m h SER 12 Cb 0.94 0.20 -0.39 0.00 0.14 0.00 0.00 62.40 63.29 2k1m h SER 12 CO 0.36 -0.04 -0.77 -0.75 -1.14 0.00 0.00 176.83 174.49 2k1m s LYS 13 N -6.12 1.02 0.29 3.45 2.36 -0.53 -4.99 119.74 115.21 2k1m s LYS 13 Ca -0.13 -0.75 -0.29 0.00 -2.55 0.00 0.00 55.97 52.24 2k1m s LYS 13 Cb 0.18 -2.28 -0.10 0.00 -1.05 0.00 0.00 37.83 34.58 2k1m s LYS 13 CO 0.74 -0.69 1.16 0.21 1.55 0.00 0.00 175.35 178.32 2k1m s LYS 14 N 1.64 4.56 -0.83 4.03 2.47 -1.26 -0.51 119.74 129.84 2k1m s LYS 14 Ca -0.01 1.92 -0.25 0.00 -1.56 0.00 0.00 55.97 56.08 2k1m s LYS 14 Cb -0.18 -3.16 -0.04 0.00 -1.46 0.00 0.00 37.83 32.99 2k1m s LYS 14 CO -0.10 0.09 1.92 -1.25 0.16 0.00 0.00 175.35 176.17 2k1m s PRO 15 N -1.50 2.58 0.60 4.03 0.04 -1.23 -4.86 135.00 134.66 2k1m s PRO 15 Ca 0.46 -0.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.24 2k1m s PRO 15 Cb -0.34 -4.89 -0.04 0.00 0.04 0.00 0.00 34.50 29.26 2k1m s PRO 15 CO 0.44 -3.21 1.11 2.89 0.04 0.00 0.00 177.00 178.27 2k1m n ARG 16 N 8.94 1.09 -1.53 4.56 1.85 -1.26 -4.70 116.66 125.61 2k1m n ARG 16 Ca 0.35 0.42 -0.33 0.00 -1.00 0.00 0.00 57.85 57.29 2k1m n ARG 16 Cb 0.48 -2.32 0.07 0.00 -1.05 0.00 0.00 32.46 29.65 2k1m n ARG 16 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2k1m s SER 17 N -1.21 4.61 0.02 2.89 1.04 -1.26 -4.86 113.70 114.94 2k1m s SER 17 Ca 0.76 2.11 -0.06 0.00 0.48 0.00 0.00 55.95 59.24 2k1m s SER 17 Cb -0.41 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.14 2k1m s SER 17 CO 0.46 -1.97 0.11 0.54 0.98 0.00 0.00 173.24 173.36 2k1m s VAL 18 N -2.30 0.11 -0.15 5.02 0.11 -1.24 -5.04 120.40 116.91 2k1m s VAL 18 Ca 0.69 -0.91 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 2k1m s VAL 18 Cb -0.23 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 2k1m s VAL 18 CO 0.45 -0.50 -0.12 -1.83 -3.33 0.00 0.00 175.10 169.77 2k1m s GLU 19 N -2.06 3.35 -0.01 1.54 -1.05 -1.26 -2.79 118.70 116.43 2k1m s GLU 19 Ca -0.09 -0.69 0.03 0.00 -0.15 0.00 0.00 54.97 54.07 2k1m s GLU 19 Cb -0.04 -2.70 -0.01 0.00 -0.44 0.00 0.00 34.13 30.94 2k1m s GLU 19 CO -0.02 0.10 -0.08 0.14 0.95 0.00 0.00 175.26 176.35 2k1m s VAL 20 N 0.65 0.67 0.78 1.83 -7.23 -0.88 -4.91 120.40 111.31 2k1m s VAL 20 Ca -0.06 -0.36 -0.11 0.00 -1.81 0.00 0.00 61.98 59.64 2k1m s VAL 20 Cb -0.15 -0.57 0.06 0.00 0.56 0.00 0.00 36.38 36.28 2k1m s VAL 20 CO 0.02 0.19 1.09 0.00 -0.31 0.00 0.00 175.10 176.09 2k1m s ALA 21 N -0.16 2.20 -0.29 1.32 0.00 -1.26 -1.36 121.76 122.21 2k1m s ALA 21 Ca 0.03 0.17 -0.39 0.00 0.00 0.00 0.00 51.96 51.77 2k1m s ALA 21 Cb -0.04 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 2k1m s ALA 21 CO -0.00 -1.78 1.90 0.00 0.00 0.00 0.00 175.76 175.88 2k1m n ALA 22 N -3.52 0.27 0.00 0.00 0.00 -0.70 -0.09 120.51 116.46 2k1m n ALA 22 Ca 0.08 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2k1m n ALA 22 Cb 0.54 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2k1m n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1m n GLY 23 N 5.02 2.60 3.62 0.00 0.00 -0.63 -5.00 105.19 110.80 2k1m n GLY 23 Ca 0.32 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 2k1m n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1m n SER 24 N 0.92 1.84 -4.73 1.61 2.88 0.87 -4.72 113.62 112.29 2k1m n SER 24 Ca 0.00 1.17 -0.41 0.00 -1.33 0.00 0.00 58.87 58.30 2k1m n SER 24 Cb 0.00 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 62.09 2k1m n SER 24 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2k1m s PRO 25 N -1.29 4.38 -0.09 -1.46 0.04 -1.26 -4.67 135.00 130.65 2k1m s PRO 25 Ca 0.61 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.71 2k1m s PRO 25 Cb -0.69 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 30.67 2k1m s PRO 25 CO 0.58 -0.28 -0.10 0.00 0.04 0.00 0.00 177.00 177.24 2k1m s ALA 26 N 0.27 1.31 0.02 8.56 0.00 -0.46 -4.96 121.76 126.50 2k1m s ALA 26 Ca 0.58 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.13 2k1m s ALA 26 Cb -0.36 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 2k1m s ALA 26 CO 0.37 -0.12 -0.23 0.54 0.00 0.00 0.00 175.76 176.32 2k1m s VAL 27 N 1.12 1.81 -0.13 0.00 0.11 -1.26 -0.31 120.40 121.74 2k1m s VAL 27 Ca -0.06 -1.16 0.02 0.00 -2.93 0.00 0.00 61.98 57.85 2k1m s VAL 27 Cb -0.14 -1.54 0.01 0.00 -1.53 0.00 0.00 36.38 33.17 2k1m s VAL 27 CO -0.02 0.34 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.54 2k1m s PHE 28 N -0.71 2.46 -0.32 1.54 0.40 -0.40 -4.95 117.98 116.01 2k1m s PHE 28 Ca 0.09 -1.25 -0.16 0.00 -0.60 0.00 0.00 56.93 55.01 2k1m s PHE 28 Cb -0.09 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 2k1m s PHE 28 CO 0.01 -0.59 0.40 -2.00 0.70 0.00 0.00 175.22 173.74 2k1m s GLU 29 N 0.93 3.74 -0.13 0.44 2.12 -1.26 -1.37 118.70 123.17 2k1m s GLU 29 Ca -0.06 -0.19 -0.00 0.00 0.36 0.00 0.00 54.97 55.08 2k1m s GLU 29 Cb -0.15 -3.75 0.03 0.00 0.26 0.00 0.00 34.13 30.51 2k1m s GLU 29 CO -0.03 -0.46 -0.10 0.00 -0.54 0.00 0.00 175.26 174.13 2k1m s ALA 30 N 2.12 1.53 -0.10 6.30 0.00 0.53 -3.52 121.76 128.62 2k1m s ALA 30 Ca 0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 2k1m s ALA 30 Cb -0.16 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 2k1m s ALA 30 CO 0.11 -0.44 -0.07 -1.21 0.00 0.00 0.00 175.76 174.16 2k1m s GLU 31 N 1.62 3.09 0.49 0.00 2.02 0.34 -0.04 118.70 126.22 2k1m s GLU 31 Ca 0.05 -0.55 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 2k1m s GLU 31 Cb -0.13 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 2k1m s GLU 31 CO -0.09 0.49 0.77 0.95 0.02 0.00 0.00 175.26 177.40 2k1m s THR 32 N -0.35 4.42 -2.21 3.63 -4.23 -0.41 -1.41 115.64 115.08 2k1m s THR 32 Ca 0.05 -0.06 0.23 0.00 -1.18 0.00 0.00 61.69 60.73 2k1m s THR 32 Cb -0.12 -3.68 0.54 0.00 1.34 0.00 0.00 72.50 70.57 2k1m s THR 32 CO 0.02 -0.62 1.70 1.21 -0.54 0.00 0.00 174.62 176.39 2k1m n GLU 33 N -2.26 1.44 -3.75 3.99 0.00 -0.47 -3.62 120.64 115.98 2k1m n GLU 33 Ca 0.01 -0.66 -0.13 0.00 0.00 0.00 0.00 57.16 56.38 2k1m n GLU 33 Cb 0.56 -1.39 -0.09 0.00 0.00 0.00 0.00 31.44 30.52 2k1m n GLU 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2k1m s ARG 34 N -1.91 0.58 0.34 5.31 6.06 -1.26 -4.90 118.95 123.17 2k1m s ARG 34 Ca 0.34 0.11 -0.02 0.00 -2.50 0.00 0.00 55.73 53.66 2k1m s ARG 34 Cb 0.17 0.27 -0.04 0.00 0.06 0.00 0.00 34.95 35.41 2k1m s ARG 34 CO 0.27 -0.13 0.57 0.00 -2.50 0.00 0.00 175.30 173.51 2k1m s ALA 35 N -0.69 3.65 0.00 6.12 0.00 -1.26 -4.30 121.76 125.28 2k1m s ALA 35 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2k1m s ALA 35 Cb -0.04 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2k1m s ALA 35 CO 0.03 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2k1m n GLY 36 N -1.58 2.86 3.77 0.00 0.00 -1.26 -5.03 105.19 103.96 2k1m n GLY 36 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2k1m n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1m s VAL 37 N -2.15 3.96 0.04 1.61 -7.23 -1.26 -5.04 120.40 110.33 2k1m s VAL 37 Ca 0.00 1.68 -0.17 0.00 -1.81 0.00 0.00 61.98 61.69 2k1m s VAL 37 Cb 0.00 -3.96 -0.06 0.00 0.56 0.00 0.00 36.38 32.92 2k1m s VAL 37 CO 0.00 0.18 0.48 -0.75 -0.31 0.00 0.00 175.10 174.70 2k1m s LYS 38 N -1.97 4.03 -0.38 4.82 2.20 -1.26 -4.99 119.74 122.18 2k1m s LYS 38 Ca 0.50 0.55 -0.10 0.00 -0.36 0.00 0.00 55.97 56.56 2k1m s LYS 38 Cb -0.22 -3.22 0.04 0.00 -1.51 0.00 0.00 37.83 32.93 2k1m s LYS 38 CO 0.28 0.66 0.21 0.08 -0.36 0.00 0.00 175.35 176.22 2k1m s VAL 39 N -1.11 4.39 0.23 4.02 1.01 -1.26 -3.66 120.40 124.01 2k1m s VAL 39 Ca 0.26 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 2k1m s VAL 39 Cb -0.18 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 2k1m s VAL 39 CO 0.16 -0.31 0.71 0.00 0.00 0.00 0.00 175.10 175.66 2k1m s ARG 40 N 1.50 4.18 0.12 2.72 1.70 0.91 -4.95 118.95 125.13 2k1m s ARG 40 Ca 0.02 0.80 0.11 0.00 -0.47 0.00 0.00 55.73 56.18 2k1m s ARG 40 Cb -0.20 -2.82 -0.04 0.00 -0.57 0.00 0.00 34.95 31.32 2k1m s ARG 40 CO 0.05 0.37 -0.26 -1.58 -1.08 0.00 0.00 175.30 172.79 2k1m s TRP 41 N -1.59 2.26 -0.10 5.89 0.52 -1.26 -1.26 118.94 123.41 2k1m s TRP 41 Ca 0.44 -0.38 -0.11 0.00 0.02 0.00 0.00 56.10 56.07 2k1m s TRP 41 Cb -0.15 -1.23 0.03 0.00 -1.15 0.00 0.00 33.47 30.96 2k1m s TRP 41 CO 0.20 0.32 0.30 -1.14 0.02 0.00 0.00 176.95 176.65 2k1m s GLN 42 N -2.01 0.40 0.41 4.98 -0.44 0.10 -0.07 119.66 123.03 2k1m s GLN 42 Ca 0.13 0.31 0.07 0.00 -2.50 0.00 0.00 55.36 53.38 2k1m s GLN 42 Cb -0.10 0.19 -0.05 0.00 -1.64 0.00 0.00 33.01 31.41 2k1m s GLN 42 CO 0.06 -0.06 0.22 0.50 0.50 0.00 0.00 175.29 176.50 2k1m s ARG 43 N -0.09 2.29 -0.63 1.67 3.00 0.13 -1.05 118.95 124.26 2k1m s ARG 43 Ca -0.02 -1.78 -0.26 0.00 -1.00 0.00 0.00 55.73 52.66 2k1m s ARG 43 Cb -0.03 -2.06 -0.08 0.00 0.00 0.00 0.00 34.95 32.78 2k1m s ARG 43 CO 0.01 -0.13 2.30 0.20 0.00 0.00 0.00 175.30 177.67 2k1m s GLY 44 N -3.95 -0.42 0.00 8.12 0.00 -1.23 -2.62 107.32 107.22 2k1m s GLY 44 Ca 0.43 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.72 2k1m s GLY 44 CO 0.24 4.02 0.00 0.61 0.00 0.00 0.00 173.10 177.97 2k1m n GLY 45 N 6.26 3.42 3.27 0.20 0.00 -1.26 -5.04 105.19 112.04 2k1m n GLY 45 Ca 0.38 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 2k1m n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1m s SER 46 N 0.00 0.14 0.66 1.61 1.04 -1.08 -5.16 113.70 110.90 2k1m s SER 46 Ca 0.00 -1.19 -0.12 0.00 0.48 0.00 0.00 55.95 55.12 2k1m s SER 46 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 2k1m s SER 46 CO 0.00 -0.86 1.05 1.51 0.98 0.00 0.00 173.24 175.92 2k1m s ASP 47 N -3.08 5.64 0.09 7.02 1.47 -1.26 -0.69 116.67 125.86 2k1m s ASP 47 Ca 0.29 1.63 0.05 0.00 1.18 0.00 0.00 52.55 55.70 2k1m s ASP 47 Cb 0.05 -2.50 -0.04 0.00 -0.34 0.00 0.00 42.92 40.09 2k1m s ASP 47 CO 0.07 -1.26 -0.01 -0.63 0.68 0.00 0.00 175.17 174.02 2k1m s ILE 48 N -2.92 3.98 0.13 2.11 1.01 0.90 -4.67 121.20 121.74 2k1m s ILE 48 Ca 0.59 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 2k1m s ILE 48 Cb -0.14 -2.90 0.07 0.00 0.01 0.00 0.00 42.46 39.51 2k1m s ILE 48 CO 0.50 0.11 0.62 -0.55 0.00 0.00 0.00 174.94 175.62 2k1m s SER 49 N -2.32 -0.58 -0.77 3.58 0.15 -1.26 -4.18 113.70 108.32 2k1m s SER 49 Ca 0.26 0.09 -0.26 0.00 0.70 0.00 0.00 55.95 56.74 2k1m s SER 49 Cb -0.12 0.59 -0.10 0.00 -1.71 0.00 0.00 66.02 64.68 2k1m s SER 49 CO 0.18 -0.91 2.25 0.00 1.20 0.00 0.00 173.24 175.96 2k1m s ALA 50 N -3.40 1.15 0.29 5.45 0.00 -1.26 -4.50 121.76 119.49 2k1m s ALA 50 Ca -0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 2k1m s ALA 50 Cb -0.01 -4.53 0.04 0.00 0.00 0.00 0.00 23.12 18.63 2k1m s ALA 50 CO -0.10 -5.33 0.60 -1.13 0.00 0.00 0.00 175.76 169.80 2k1m n SER 51 N 16.73 -1.71 -4.54 0.00 3.41 -1.26 -4.89 113.62 121.36 2k1m n SER 51 Ca 0.42 -2.17 -0.41 0.00 -0.26 0.00 0.00 58.87 56.45 2k1m n SER 51 Cb 0.46 2.84 0.02 0.00 -0.26 0.00 0.00 64.21 67.27 2k1m n SER 51 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2k1m n ASN 52 N -1.39 0.21 0.00 4.04 5.15 -1.26 -0.79 115.26 121.22 2k1m n ASN 52 Ca -0.06 0.94 0.00 0.00 -0.60 0.00 0.00 54.58 54.85 2k1m n ASN 52 Cb 0.44 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 2k1m n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2k1m n LYS 53 N 0.16 0.00 -3.80 1.20 4.81 -1.26 -4.92 118.16 114.35 2k1m n LYS 53 Ca 0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.43 2k1m n LYS 53 Cb 0.41 -3.05 -0.01 0.00 0.02 0.00 0.00 35.03 32.40 2k1m n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k1m n TYR 54 N -2.00 -1.73 -3.36 5.64 4.01 0.03 -4.29 117.16 115.45 2k1m n TYR 54 Ca 0.00 -2.10 0.02 0.00 -0.16 0.00 0.00 57.90 55.66 2k1m n TYR 54 Cb 0.00 0.66 -0.03 0.00 -0.31 0.00 0.00 39.34 39.65 2k1m n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2k1m s GLY 55 N -3.05 -0.38 -0.16 2.72 0.00 -0.75 -4.15 107.32 101.55 2k1m s GLY 55 Ca 0.24 2.77 -0.02 0.00 0.00 0.00 0.00 44.72 47.70 2k1m s GLY 55 CO 0.17 3.33 -0.08 1.08 0.00 0.00 0.00 173.10 177.61 2k1m s LEU 56 N 2.65 2.95 -0.29 0.66 1.43 -1.26 -0.03 118.68 124.79 2k1m s LEU 56 Ca -0.00 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2k1m s LEU 56 Cb -0.09 -1.70 0.08 0.00 0.03 0.00 0.00 46.19 44.52 2k1m s LEU 56 CO -0.17 0.13 0.03 0.00 0.23 0.00 0.00 176.35 176.57 2k1m s ALA 57 N 0.59 2.02 -0.12 4.21 0.00 -0.44 -4.86 121.76 123.17 2k1m s ALA 57 Ca -0.05 -1.75 -0.09 0.00 0.00 0.00 0.00 51.96 50.07 2k1m s ALA 57 Cb -0.15 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 2k1m s ALA 57 CO 0.03 -1.49 0.20 -0.08 0.00 0.00 0.00 175.76 174.42 2k1m s THR 58 N 1.36 5.40 -0.44 0.00 -1.32 -1.26 -1.91 115.64 117.47 2k1m s THR 58 Ca 0.04 0.34 0.06 0.00 -1.21 0.00 0.00 61.69 60.92 2k1m s THR 58 Cb -0.18 -3.49 0.20 0.00 -1.51 0.00 0.00 72.50 67.52 2k1m s THR 58 CO -0.13 0.55 0.44 1.21 -2.21 0.00 0.00 174.62 174.48 2k1m n GLU 59 N 2.42 0.61 0.00 7.08 4.07 -0.16 -5.03 120.64 129.63 2k1m n GLU 59 Ca -0.17 -3.36 0.00 0.00 -0.06 0.00 0.00 57.16 53.57 2k1m n GLU 59 Cb 0.54 -1.58 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 2k1m n GLU 59 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k1m n GLY 60 N 2.16 1.78 0.00 8.31 0.00 -1.26 -2.70 105.19 113.48 2k1m n GLY 60 Ca 0.26 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.32 2k1m n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k1m n THR 61 N 0.00 0.00 -3.50 2.61 -2.24 -1.26 -4.44 114.28 105.45 2k1m n THR 61 Ca 0.00 -0.26 -0.38 0.00 -2.27 0.00 0.00 64.05 61.14 2k1m n THR 61 Cb 0.00 0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 68.65 2k1m n THR 61 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2k1m s ARG 62 N -2.98 4.04 0.14 -0.78 3.52 -1.10 -1.29 118.95 120.50 2k1m s ARG 62 Ca -0.00 -0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.58 2k1m s ARG 62 Cb 0.12 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 2k1m s ARG 62 CO 0.74 -0.14 -0.09 -1.01 -0.81 0.00 0.00 175.30 174.00 2k1m s HIS 63 N 1.63 2.72 -0.09 5.12 3.76 0.94 -0.99 115.29 128.38 2k1m s HIS 63 Ca 0.12 -0.18 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 2k1m s HIS 63 Cb -0.15 -1.38 0.05 0.00 1.11 0.00 0.00 32.58 32.21 2k1m s HIS 63 CO 0.09 0.46 0.18 0.99 -0.85 0.00 0.00 174.74 175.61 2k1m s THR 64 N -1.43 -0.21 -0.31 1.30 2.01 -0.80 -0.35 115.64 115.85 2k1m s THR 64 Ca 0.23 0.28 -0.07 0.00 0.31 0.00 0.00 61.69 62.44 2k1m s THR 64 Cb -0.10 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.12 2k1m s THR 64 CO 0.15 0.12 0.10 -0.22 -0.69 0.00 0.00 174.62 174.08 2k1m s LEU 65 N 1.94 4.02 -0.13 4.42 2.96 -0.47 -1.33 118.68 130.09 2k1m s LEU 65 Ca -0.01 -0.78 -0.10 0.00 -0.22 0.00 0.00 54.13 53.01 2k1m s LEU 65 Cb -0.12 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 2k1m s LEU 65 CO -0.06 -0.23 0.21 -0.89 -1.32 0.00 0.00 176.35 174.05 2k1m s THR 66 N 1.50 5.38 -0.21 3.68 2.01 0.96 -1.28 115.64 127.68 2k1m s THR 66 Ca 0.02 0.36 -0.05 0.00 0.31 0.00 0.00 61.69 62.34 2k1m s THR 66 Cb -0.18 -3.51 0.07 0.00 0.01 0.00 0.00 72.50 68.90 2k1m s THR 66 CO 0.03 0.53 0.10 -0.69 -0.69 0.00 0.00 174.62 173.90 2k1m s VAL 67 N -0.42 -0.06 -0.13 3.82 1.01 0.57 -1.81 120.40 123.40 2k1m s VAL 67 Ca 0.15 -0.36 0.18 0.00 0.00 0.00 0.00 61.98 61.95 2k1m s VAL 67 Cb -0.13 -0.71 -0.18 0.00 0.00 0.00 0.00 36.38 35.36 2k1m s VAL 67 CO 0.04 -0.41 0.64 0.54 0.00 0.00 0.00 175.10 175.91 2k1m n ARG 68 N 5.26 0.64 0.00 2.72 1.74 -1.26 -1.36 116.66 124.40 2k1m n ARG 68 Ca -0.07 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.21 2k1m n ARG 68 Cb 0.47 -1.72 0.36 0.00 -1.02 0.00 0.00 32.46 30.55 2k1m n ARG 68 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2k1m n GLU 69 N -2.77 0.08 -1.59 5.56 4.07 -1.26 -4.57 120.64 120.16 2k1m n GLU 69 Ca -0.13 0.20 -0.46 0.00 -0.06 0.00 0.00 57.16 56.71 2k1m n GLU 69 Cb 0.85 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 30.71 2k1m n GLU 69 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2k1m n VAL 70 N -1.43 1.54 -2.78 6.31 3.14 -1.25 -4.80 118.33 119.06 2k1m n VAL 70 Ca 0.05 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2k1m n VAL 70 Cb 0.17 -0.97 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 2k1m n VAL 70 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k1m n GLY 71 N 1.58 2.02 0.14 7.55 0.00 -1.26 -1.60 105.19 113.61 2k1m n GLY 71 Ca 0.12 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.40 2k1m n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k1m n PRO 72 N 0.00 0.20 0.01 1.61 -0.04 -1.26 -2.06 135.00 133.46 2k1m n PRO 72 Ca 0.00 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2k1m n PRO 72 Cb 0.00 -1.89 0.19 0.00 -0.04 0.00 0.00 33.50 31.76 2k1m n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k1m n ALA 73 N -1.78 3.50 0.80 0.55 0.00 -1.26 -3.79 120.51 118.53 2k1m n ALA 73 Ca 0.02 -0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.19 2k1m n ALA 73 Cb 0.23 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 2k1m n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k1m n ASP 74 N -1.65 1.53 -4.50 0.00 9.92 -0.88 -4.97 116.55 116.01 2k1m n ASP 74 Ca 0.05 -1.27 -0.52 0.00 -0.53 0.00 0.00 54.79 52.52 2k1m n ASP 74 Cb 0.36 0.60 -0.07 0.00 -0.64 0.00 0.00 41.12 41.37 2k1m n ASP 74 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k1m n GLN 75 N -0.40 1.15 0.00 -1.24 10.64 -1.13 -4.61 117.38 121.79 2k1m n GLN 75 Ca 0.06 0.35 0.00 0.00 -1.83 0.00 0.00 57.00 55.58 2k1m n GLN 75 Cb 0.35 -2.40 0.00 0.00 -0.86 0.00 0.00 30.24 27.33 2k1m n GLN 75 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k1m n GLY 76 N 6.06 0.34 3.37 2.61 0.00 -1.24 -5.10 105.19 111.24 2k1m n GLY 76 Ca 0.38 0.49 -0.19 0.00 0.00 0.00 0.00 46.02 46.70 2k1m n GLY 76 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1m s SER 77 N 2.00 2.00 -0.05 1.61 1.04 -1.26 -3.19 113.70 115.85 2k1m s SER 77 Ca 0.00 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.17 2k1m s SER 77 Cb 0.00 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.12 2k1m s SER 77 CO 0.00 -0.54 -0.09 -0.31 0.98 0.00 0.00 173.24 173.28 2k1m s TYR 78 N -3.38 1.06 -0.05 5.02 1.51 0.10 -3.52 117.35 118.09 2k1m s TYR 78 Ca 0.32 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 56.10 2k1m s TYR 78 Cb 0.07 -0.81 -0.02 0.00 -0.11 0.00 0.00 41.96 41.09 2k1m s TYR 78 CO 0.11 -0.19 -0.20 0.00 -1.11 0.00 0.00 175.55 174.16 2k1m s ALA 79 N 0.59 2.39 -0.14 3.71 0.00 -0.22 -0.19 121.76 127.91 2k1m s ALA 79 Ca -0.10 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 2k1m s ALA 79 Cb -0.13 -0.79 0.06 0.00 0.00 0.00 0.00 23.12 22.26 2k1m s ALA 79 CO 0.02 0.49 0.30 0.54 0.00 0.00 0.00 175.76 177.11 2k1m s VAL 80 N -0.48 -0.28 0.06 0.00 0.11 0.32 0.00 120.40 120.14 2k1m s VAL 80 Ca 0.06 0.20 0.09 0.00 -2.93 0.00 0.00 61.98 59.40 2k1m s VAL 80 Cb -0.12 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2k1m s VAL 80 CO 0.01 0.08 -0.24 -0.63 -3.33 0.00 0.00 175.10 170.99 2k1m s ILE 81 N 1.94 2.33 -0.56 7.04 1.09 -0.39 -1.28 121.20 131.37 2k1m s ILE 81 Ca -0.04 -1.41 0.05 0.00 -1.10 0.00 0.00 60.65 58.15 2k1m s ILE 81 Cb -0.11 -1.95 0.19 0.00 -1.06 0.00 0.00 42.46 39.53 2k1m s ILE 81 CO -0.10 0.30 0.50 0.00 -0.10 0.00 0.00 174.94 175.54 2k1m n ALA 82 N 1.54 3.24 0.00 9.38 0.00 -0.49 -0.07 120.51 134.10 2k1m n ALA 82 Ca -0.17 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.28 2k1m n ALA 82 Cb 0.52 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2k1m n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1m n GLY 83 N 1.95 2.26 0.70 0.00 0.00 -1.24 -3.83 105.19 105.03 2k1m n GLY 83 Ca 0.25 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 2k1m n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1m n SER 84 N 4.86 0.83 -4.72 1.61 7.64 -1.26 -5.01 113.62 117.57 2k1m n SER 84 Ca 0.00 0.08 -0.42 0.00 1.01 0.00 0.00 58.87 59.54 2k1m n SER 84 Cb 0.00 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 62.97 2k1m n SER 84 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k1m s SER 85 N -5.55 6.66 -0.19 6.43 0.15 -1.25 -5.00 113.70 114.95 2k1m s SER 85 Ca -0.10 2.52 0.01 0.00 0.70 0.00 0.00 55.95 59.08 2k1m s SER 85 Cb 0.04 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2k1m s SER 85 CO 0.13 -0.77 -0.17 -0.75 1.20 0.00 0.00 173.24 172.89 2k1m s LYS 86 N 1.12 2.65 0.05 5.44 2.20 -1.26 -1.40 119.74 128.54 2k1m s LYS 86 Ca 0.68 -0.89 0.06 0.00 -0.36 0.00 0.00 55.97 55.46 2k1m s LYS 86 Cb -0.41 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2k1m s LYS 86 CO 0.31 -0.30 -0.16 0.54 -0.36 0.00 0.00 175.35 175.38 2k1m s VAL 87 N 1.30 1.26 -0.00 4.02 0.11 -0.40 -5.01 120.40 121.68 2k1m s VAL 87 Ca 0.02 -1.14 0.01 0.00 -2.93 0.00 0.00 61.98 57.95 2k1m s VAL 87 Cb -0.15 -1.14 -0.00 0.00 -1.53 0.00 0.00 36.38 33.56 2k1m s VAL 87 CO -0.11 -0.01 -0.05 -1.59 -3.33 0.00 0.00 175.10 170.02 2k1m s LYS 88 N -1.32 0.39 0.41 1.54 -2.85 -1.26 -0.52 119.74 116.13 2k1m s LYS 88 Ca 0.02 -0.19 0.07 0.00 -1.00 0.00 0.00 55.97 54.88 2k1m s LYS 88 Cb -0.09 -0.36 -0.07 0.00 -2.06 0.00 0.00 37.83 35.25 2k1m s LYS 88 CO 0.02 0.10 0.04 -0.59 0.10 0.00 0.00 175.35 175.02 2k1m s PHE 89 N -0.16 2.54 0.03 1.78 -0.71 0.74 -4.95 117.98 117.25 2k1m s PHE 89 Ca 0.01 -0.65 -0.06 0.00 -1.04 0.00 0.00 56.93 55.20 2k1m s PHE 89 Cb -0.02 -1.81 -0.05 0.00 -1.21 0.00 0.00 43.02 39.93 2k1m s PHE 89 CO -0.00 0.40 0.27 -0.51 -1.34 0.00 0.00 175.22 174.04 2k1m s ASP 90 N -3.75 6.48 -0.32 1.98 1.11 -1.26 0.01 116.67 120.92 2k1m s ASP 90 Ca 0.36 0.53 0.03 0.00 0.18 0.00 0.00 52.55 53.65 2k1m s ASP 90 Cb 0.09 -2.07 0.09 0.00 1.07 0.00 0.00 42.92 42.09 2k1m s ASP 90 CO 0.19 0.22 0.01 -0.22 1.18 0.00 0.00 175.17 176.55 2k1m s LEU 91 N -1.96 4.34 0.17 1.23 2.96 -1.19 -3.73 118.68 120.49 2k1m s LEU 91 Ca 0.30 -1.86 -0.15 0.00 -0.22 0.00 0.00 54.13 52.20 2k1m s LEU 91 Cb -0.13 -1.63 -0.07 0.00 0.50 0.00 0.00 46.19 44.86 2k1m s LEU 91 CO 0.18 -0.33 0.59 -0.54 -1.32 0.00 0.00 176.35 174.93 2k1m s LYS 92 N 1.00 4.03 -0.04 1.98 1.02 -1.12 -3.61 119.74 123.00 2k1m s LYS 92 Ca 0.03 0.56 0.06 0.00 0.02 0.00 0.00 55.97 56.65 2k1m s LYS 92 Cb -0.20 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.19 2k1m s LYS 92 CO -0.06 0.45 -0.24 0.08 -0.92 0.00 0.00 175.35 174.67 2k1m s VAL 93 N -1.49 2.23 0.08 3.17 1.01 -1.26 -2.07 120.40 122.06 2k1m s VAL 93 Ca 0.39 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2k1m s VAL 93 Cb -0.15 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2k1m s VAL 93 CO 0.19 0.58 0.15 -0.63 0.00 0.00 0.00 175.10 175.39 2k1m s ILE 94 N -0.40 4.98 0.00 2.22 1.01 -0.47 -4.90 121.20 123.64 2k1m s ILE 94 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2k1m s ILE 94 Cb -0.12 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2k1m s ILE 94 CO 0.01 0.11 0.19 1.21 0.00 0.00 0.00 174.94 176.46